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###                                                                        ###
###        Electronic paper (Acta Crystallographica Section E)             ###
###                                                                        ###
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# This CIF contains the data in a paper accepted for publication in Acta     #
# Crystallographica Section E. It conforms to the requirements of Notes      #
# for Authors for Section E, and has been peer reviewed under the auspices   #
# of the IUCr Commission on Journals.                                        #
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# Allen and I. D. Brown [Acta Cryst. (1991), A47, 655-685].                  #
#                                                                            #
# The current version of the core CIF dictionary is obtainable from          #
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#                                                                            #
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data_I
_audit_creation_method     SHELXL97
_chemical_name_systematic
;
Bis[μ-2-(4-hydroxyphenyl)acetato]-
κ³O,O':O;κ³O:O,O'-
bis{aqua(4,4'-bipyridine-κN)bis[2-(4-hydroxyphenyl)acetato-
κ²O,O']gadolinium(III)} monohydrate
;
_chemical_name_common     ?
_chemical_formula_moiety     'C68 H62 Gd2 N4 O20 , H2 O'
_chemical_formula_sum     'C68 H64 Gd2 N4 O21'
_chemical_formula_iupac     '[Gd2 (C8 H7 O3)6 (C10 H8 N2)2 (H2 O)2] , H2 O'
_chemical_formula_weight     1587.73
_chemical_melting_point     ?
_symmetry_cell_setting     triclinic
_symmetry_space_group_name_H-M     'P -1'
_symmetry_space_group_name_Hall     '-P 1'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x, -y, -z'
_cell_length_a     11.74360(10)
_cell_length_b     16.2654(2)
_cell_length_c     18.4311(2)
_cell_angle_alpha     83.520(10)
_cell_angle_beta     72.110(10)
_cell_angle_gamma     71.100(10)
_cell_volume     3169.4(3)
_cell_formula_units_Z     2
_cell_measurement_reflns_used     9500
_cell_measurement_theta_min     1.16
_cell_measurement_theta_max     25.00
_cell_measurement_temperature     296(2)
_exptl_crystal_description     block
_exptl_crystal_colour     colourless
_exptl_crystal_size_max     0.15
_exptl_crystal_size_mid     0.13
_exptl_crystal_size_min     0.12
_exptl_crystal_density_diffrn     1.664
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     1592
_exptl_absorpt_coefficient_mu     2.157
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details     '(SADABS; Sheldrick, 1996)'
_exptl_absorpt_correction_T_min     .731
_exptl_absorpt_correction_T_max     .772
_exptl_special_details
;
;
_diffrn_ambient_temperature     296(2)
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_source     'fine-focus sealed tube'
_diffrn_radiation_monochromator     graphite
_diffrn_measurement_device_type     'Bruker APEXII area-detector diffractometer'
_diffrn_measurement_method     'φ and ω scans'
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     41430
_diffrn_reflns_av_R_equivalents     0.0258
_diffrn_reflns_av_sigmaI/netI     0.0241
_diffrn_reflns_theta_min     1.16
_diffrn_reflns_theta_max     25.00
_diffrn_reflns_theta_full     25.00
_diffrn_measured_fraction_theta_max     0.997
_diffrn_measured_fraction_theta_full     0.997
_diffrn_reflns_limit_h_min     -13
_diffrn_reflns_limit_h_max     13
_diffrn_reflns_limit_k_min     -19
_diffrn_reflns_limit_k_max     18
_diffrn_reflns_limit_l_min     -21
_diffrn_reflns_limit_l_max     21
_diffrn_standards_number     ?
_diffrn_standards_interval_count     ?
_diffrn_standards_interval_time     ?
_diffrn_standards_decay_%     0
_refine_special_details
;
Refinement of F² against ALL reflections. The weighted R-factor
wR and goodness of fit S are based on F², conventional
R-factors R are based on F, with F set to zero for
negative F². The threshold expression of F² >
σ(F²) is used only for calculating R-factors(gt) etc.
and is not relevant to the choice of reflections for refinement.
R-factors based on F² are statistically about twice as large
as those based on F, and R- factors based on ALL data will be
even larger.
;
_reflns_number_total     11119
_reflns_number_gt     9631
_reflns_threshold_expression     I>2σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0259
_refine_ls_R_factor_gt     0.0199
_refine_ls_wR_factor_gt     0.0455
_refine_ls_wR_factor_ref     0.0477
_refine_ls_goodness_of_fit_ref     1.046
_refine_ls_restrained_S_all     1.046
_refine_ls_number_reflns     11117
_refine_ls_number_parameters     862
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
         'calc w=1/[σ²(Fo²)+(0.0216P)²+0.9907P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary     difmap
_refine_ls_shift/su_max     0.003
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     0.452
_refine_diff_density_min     -0.431
_refine_ls_extinction_method     none
_refine_ls_extinction_coef     ?
loop_
    _atom_type_symbol
    _atom_type_description
    _atom_type_scat_dispersion_real
    _atom_type_scat_dispersion_imag
    _atom_type_scat_source
    'C' 'C' 0.0033 0.0016
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'H' 'H' 0.0000 0.0000
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'N' 'N' 0.0061 0.0033
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'O' 'O' 0.0106 0.0060
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Gd' 'Gd' -0.1653 3.9035
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection     'APEX2 (Bruker, 2006)'
_computing_cell_refinement     'SAINT (Bruker, 2006)'
_computing_data_reduction     'SAINT (Bruker, 2006)'
_computing_structure_solution     'SHELXS97 (Sheldrick, 2008)'
_computing_structure_refinement     'SHELXL97 (Sheldrick, 2008)'
_computing_molecular_graphics
   'ORTEPIII (Burnett & Johnson, 1996) and ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material     'SHELXL97 (Sheldrick, 2008)'
loop_
    _atom_site_type_symbol
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    _atom_site_adp_type
    _atom_site_calc_flag
    _atom_site_refinement_flags
    _atom_site_occupancy
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    Gd Gd1 0.728426(10) 0.135737(7) 0.216706(6) 0.02445(4) Uani d . 1 . .
    Gd Gd2 0.868375(10) 0.292972(7) 0.303667(6) 0.02434(4) Uani d . 1 . .
    O O1 0.58635(16) 0.28209(10) 0.22392(11) 0.0379(4) Uani d . 1 . .
    O O1W 0.91582(16) 0.04089(10) 0.24569(10) 0.0384(4) Uani d . 1 . .
    H H1WA 0.9421 -0.0095 0.2489 0.058 Uiso d R 1 . .
    H H1WB 0.9558 0.0606 0.2606 0.058 Uiso d R 1 . .
    O O2 0.50408(16) 0.17705(11) 0.23605(11) 0.0440(5) Uani d . 1 . .
    O O2W 0.67324(16) 0.38841(10) 0.28455(10) 0.0389(4) Uani d . 1 . .
    H H2WA 0.6423 0.4419 0.2880 0.058 Uiso d R 1 . .
    H H2WB 0.6263 0.3729 0.2680 0.058 Uiso d R 1 . .
    O O3 0.3780(2) 0.66676(12) 0.14719(11) 0.0576(6) Uani d . 1 . .
    H H3 0.3972 0.6761 0.1010 0.086 Uiso calc R 1 . .
    O O4 0.69157(18) 0.16439(12) 0.08673(10) 0.0437(5) Uani d . 1 . .
    O O5 0.86409(16) 0.06658(11) 0.09667(10) 0.0381(4) Uani d . 1 . .
    O O6 0.6696(2) -0.23208(13) -0.01187(15) 0.0639(6) Uani d . 1 . .
    H H6 0.7274 -0.2699 -0.0385 0.096 Uiso calc R 1 . .
    O O7 0.64767(18) 0.10012(12) 0.35152(10) 0.0448(5) Uani d . 1 . .
    O O8 0.74284(15) 0.19881(10) 0.33397(9) 0.0302(4) Uani d . 1 . .
    O O9 0.83523(19) -0.21253(12) 0.55882(13) 0.0544(5) Uani d . 1 . .
    H H9 0.9098 -0.2293 0.5572 0.082 Uiso calc R 1 . .
    O O10 0.85702(15) 0.23143(10) 0.18638(9) 0.0295(4) Uani d . 1 . .
    O O11 0.91748(17) 0.34765(11) 0.16459(10) 0.0363(4) Uani d . 1 . .
    O O12 0.85826(18) 0.62580(11) -0.08206(11) 0.0460(5) Uani d . 1 . .
    H H12 0.9302 0.6266 -0.1036 0.069 Uiso calc R 1 . .
    O O13 1.01650(15) 0.14806(10) 0.29342(11) 0.0376(4) Uani d . 1 . .
    O O14 1.09358(16) 0.25591(10) 0.25472(11) 0.0414(5) Uani d . 1 . .
    O O15 1.2910(2) -0.24392(11) 0.27918(11) 0.0532(5) Uani d . 1 . .
    H H15 1.3172 -0.2672 0.2375 0.080 Uiso calc R 1 . .
    O O16 0.73943(16) 0.34546(11) 0.43136(10) 0.0391(4) Uani d . 1 . .
    O O17 0.93402(18) 0.27265(12) 0.42362(10) 0.0461(5) Uani d . 1 . .
    O O18 0.6549(2) 0.71630(13) 0.55102(16) 0.0720(7) Uani d . 1 . .
    H H18 0.7051 0.7334 0.5629 0.108 Uiso calc R 1 . .
    N N1 0.68739(19) -0.01014(13) 0.21714(12) 0.0332(5) Uani d . 1 . .
    N N2 0.6042(3) -0.42714(17) 0.2815(2) 0.0662(8) Uani d . 1 . .
    N N3 0.91443(19) 0.43674(12) 0.31052(11) 0.0319(5) Uani d . 1 . .
    N N4 0.9696(3) 0.86188(16) 0.2689(2) 0.0654(8) Uani d . 1 . .
    C C1 0.3770(2) 0.41132(16) 0.19719(16) 0.0366(6) Uani d . 1 . .
    C C2 0.3614(3) 0.46773(17) 0.25268(16) 0.0422(7) Uani d . 1 . .
    H H2A 0.3499 0.4483 0.3031 0.051 Uiso calc R 1 . .
    C C3 0.3625(3) 0.55184(17) 0.23510(15) 0.0432(7) Uani d . 1 . .
    H H3B 0.3516 0.5886 0.2734 0.052 Uiso calc R 1 . .
    C C4 0.3796(2) 0.58167(16) 0.16114(15) 0.0370(6) Uani d . 1 . .
    C C5 0.3960(3) 0.52712(18) 0.10483(16) 0.0483(7) Uani d . 1 . .
    H H5A 0.4072 0.5470 0.0546 0.058 Uiso calc R 1 . .
    C C6 0.3957(3) 0.44209(17) 0.12320(17) 0.0488(7) Uani d . 1 . .
    H H6B 0.4085 0.4050 0.0846 0.059 Uiso calc R 1 . .
    C C7 0.3744(3) 0.31993(17) 0.21737(19) 0.0482(7) Uani d . 1 . .
    H H7A 0.3523 0.2990 0.1779 0.058 Uiso calc R 1 . .
    H H7B 0.3081 0.3209 0.2645 0.058 Uiso calc R 1 . .
    C C8 0.4950(2) 0.25578(16) 0.22693(14) 0.0335(6) Uani d . 1 . .
    C C9 0.7748(2) -0.01008(16) -0.01699(14) 0.0348(6) Uani d . 1 . .
    C C10 0.8552(2) -0.08123(18) -0.06146(16) 0.0428(7) Uani d . 1 . .
    H H10A 0.9338 -0.0794 -0.0920 0.051 Uiso calc R 1 . .
    C C11 0.8202(3) -0.15419(18) -0.06094(17) 0.0463(7) Uani d . 1 . .
    H H11A 0.8742 -0.2006 -0.0921 0.056 Uiso calc R 1 . .
    C C12 0.7060(3) -0.15891(18) -0.01472(16) 0.0429(7) Uani d . 1 . .
    C C13 0.6246(3) -0.08902(19) 0.02885(17) 0.0493(7) Uani d . 1 . .
    H H13A 0.5463 -0.0914 0.0594 0.059 Uiso calc R 1 . .
    C C14 0.6589(3) -0.01520(18) 0.02744(16) 0.0437(7) Uani d . 1 . .
    H H14A 0.6029 0.0319 0.0570 0.052 Uiso calc R 1 . .
    C C15 0.8144(3) 0.07057(17) -0.02025(14) 0.0404(6) Uani d . 1 . .
    H H15B 0.9035 0.0573 -0.0465 0.048 Uiso calc R 1 . .
    H H15C 0.7691 0.1159 -0.0491 0.048 Uiso calc R 1 . .
    C C16 0.7889(2) 0.10286(16) 0.05820(14) 0.0333(6) Uani d . 1 . .
    C C17 0.7278(3) 0.04549(17) 0.48684(14) 0.0411(7) Uani d . 1 . .
    C C18 0.8537(3) -0.0015(2) 0.47187(15) 0.0470(7) Uani d . 1 . .
    H H18B 0.9140 0.0252 0.4457 0.056 Uiso calc R 1 . .
    C C19 0.8920(3) -0.08767(19) 0.49510(15) 0.0434(7) Uani d . 1 . .
    H H19A 0.9772 -0.1183 0.4844 0.052 Uiso calc R 1 . .
    C C20 0.8035(3) -0.12784(17) 0.53414(15) 0.0388(6) Uani d . 1 . .
    C C21 0.6774(3) -0.08183(17) 0.54898(15) 0.0403(6) Uani d . 1 . .
    H H21A 0.6171 -0.1087 0.5749 0.048 Uiso calc R 1 . .
    C C22 0.6406(3) 0.00349(17) 0.52551(15) 0.0415(7) Uani d . 1 . .
    H H22A 0.5553 0.0336 0.5358 0.050 Uiso calc R 1 . .
    C C23 0.6874(4) 0.13873(18) 0.46056(16) 0.0563(9) Uani d . 1 . .
    H H23A 0.7420 0.1685 0.4684 0.068 Uiso calc R 1 . .
    H H23B 0.6024 0.1673 0.4910 0.068 Uiso calc R 1 . .
    C C24 0.6918(2) 0.14594(15) 0.37741(14) 0.0312(6) Uani d . 1 . .
    C C25 0.8584(3) 0.38624(17) 0.02357(15) 0.0382(6) Uani d . 1 . .
    C C26 0.9606(3) 0.39378(18) -0.03605(15) 0.0421(7) Uani d . 1 . .
    H H26A 1.0296 0.3448 -0.0519 0.051 Uiso calc R 1 . .
    C C27 0.9619(3) 0.47269(18) -0.07246(15) 0.0410(7) Uani d . 1 . .
    H H27A 1.0306 0.4765 -0.1130 0.049 Uiso calc R 1 . .
    C C28 0.8612(2) 0.54537(16) -0.04844(14) 0.0352(6) Uani d . 1 . .
    C C29 0.7580(3) 0.53954(18) 0.01059(15) 0.0414(7) Uani d . 1 . .
    H H29A 0.6894 0.5887 0.0265 0.050 Uiso calc R 1 . .
    C C30 0.7572(3) 0.46032(18) 0.04574(15) 0.0422(7) Uani d . 1 . .
    H H30A 0.6872 0.4565 0.0852 0.051 Uiso calc R 1 . .
    C C31 0.8567(3) 0.30136(17) 0.06579(15) 0.0439(7) Uani d . 1 . .
    H H31A 0.7759 0.2931 0.0724 0.053 Uiso calc R 1 . .
    H H31B 0.9206 0.2544 0.0345 0.053 Uiso calc R 1 . .
    C C32 0.8789(2) 0.29443(15) 0.14252(14) 0.0295(5) Uani d . 1 . .
    C C33 1.2555(2) 0.01976(15) 0.25513(14) 0.0312(6) Uani d . 1 . .
    C C34 1.3105(2) -0.03315(16) 0.19210(15) 0.0367(6) Uani d . 1 . .
    H H34A 1.3396 -0.0092 0.1444 0.044 Uiso calc R 1 . .
    C C35 1.3233(3) -0.12107(17) 0.19864(15) 0.0407(7) Uani d . 1 . .
    H H35A 1.3602 -0.1555 0.1555 0.049 Uiso calc R 1 . .
    C C36 1.2812(2) -0.15756(16) 0.26898(15) 0.0365(6) Uani d . 1 . .
    C C37 1.2250(3) -0.10546(17) 0.33231(15) 0.0395(6) Uani d . 1 . .
    H H37A 1.1954 -0.1294 0.3799 0.047 Uiso calc R 1 . .
    C C38 1.2129(2) -0.01870(16) 0.32502(15) 0.0375(6) Uani d . 1 . .
    H H38A 1.1751 0.0156 0.3682 0.045 Uiso calc R 1 . .
    C C39 1.2429(2) 0.11494(15) 0.24847(16) 0.0365(6) Uani d . 1 . .
    H H39A 1.2882 0.1272 0.1969 0.044 Uiso calc R 1 . .
    H H39B 1.2835 0.1275 0.2826 0.044 Uiso calc R 1 . .
    C C40 1.1101(2) 0.17600(15) 0.26615(14) 0.0301(6) Uani d . 1 . .
    C C41 0.7657(3) 0.44631(17) 0.54653(14) 0.0377(6) Uani d . 1 . .
    C C42 0.8463(3) 0.48886(19) 0.55337(15) 0.0444(7) Uani d . 1 . .
    H H42A 0.9259 0.4563 0.5568 0.053 Uiso calc R 1 . .
    C C43 0.8120(3) 0.57845(19) 0.55530(17) 0.0500(7) Uani d . 1 . .
    H H43A 0.8682 0.6055 0.5597 0.060 Uiso calc R 1 . .
    C C44 0.6939(3) 0.62779(18) 0.55074(16) 0.0455(7) Uani d . 1 . .
    C C45 0.6105(3) 0.58671(18) 0.54578(15) 0.0442(7) Uani d . 1 . .
    H H45A 0.5300 0.6193 0.5442 0.053 Uiso calc R 1 . .
    C C46 0.6470(3) 0.49732(17) 0.54315(15) 0.0406(6) Uani d . 1 . .
    H H46A 0.5905 0.4704 0.5390 0.049 Uiso calc R 1 . .
    C C47 0.8076(3) 0.34842(17) 0.54043(15) 0.0450(7) Uani d . 1 . .
    H H47A 0.8852 0.3240 0.5544 0.054 Uiso calc R 1 . .
    H H47B 0.7444 0.3258 0.5761 0.054 Uiso calc R 1 . .
    C C48 0.8279(3) 0.32041(15) 0.46111(14) 0.0346(6) Uani d . 1 . .
    C C49 0.5820(2) -0.02120(16) 0.26501(16) 0.0395(6) Uani d . 1 . .
    H H49A 0.5218 0.0267 0.2918 0.047 Uiso calc R 1 . .
    C C50 0.5573(3) -0.09981(16) 0.27694(17) 0.0443(7) Uani d . 1 . .
    H H50A 0.4827 -0.1043 0.3114 0.053 Uiso calc R 1 . .
    C C51 0.6443(2) -0.17179(16) 0.23729(15) 0.0365(6) Uani d . 1 . .
    C C52 0.7519(3) -0.16002(16) 0.18590(15) 0.0380(6) Uani d . 1 . .
    H H52A 0.8119 -0.2063 0.1569 0.046 Uiso calc R 1 . .
    C C53 0.7699(2) -0.07956(16) 0.17772(15) 0.0371(6) Uani d . 1 . .
    H H53A 0.8432 -0.0732 0.1430 0.045 Uiso calc R 1 . .
    C C54 0.5497(3) -0.3656(2) 0.3339(2) 0.0725(11) Uani d . 1 . .
    H H54A 0.5026 -0.3794 0.3815 0.087 Uiso calc R 1 . .
    C C55 0.5587(3) -0.28205(19) 0.3216(2) 0.0603(9) Uani d . 1 . .
    H H55A 0.5198 -0.2418 0.3606 0.072 Uiso calc R 1 . .
    C C56 0.6260(3) -0.25908(17) 0.25117(17) 0.0423(7) Uani d . 1 . .
    C C57 0.6791(4) -0.3219(2) 0.1960(2) 0.0622(9) Uani d . 1 . .
    H H57A 0.7233 -0.3093 0.1470 0.075 Uiso calc R 1 . .
    C C58 0.6661(4) -0.4037(2) 0.2141(2) 0.0721(11) Uani d . 1 . .
    H H58A 0.7037 -0.4452 0.1761 0.086 Uiso calc R 1 . .
    C C59 0.8281(3) 0.50330(16) 0.35255(15) 0.0382(6) Uani d . 1 . .
    H H59A 0.7550 0.4942 0.3851 0.046 Uiso calc R 1 . .
    C C60 0.8423(3) 0.58449(16) 0.34988(15) 0.0412(7) Uani d . 1 . .
    H H60A 0.7799 0.6283 0.3807 0.049 Uiso calc R 1 . .
    C C61 0.9487(3) 0.60137(15) 0.30181(15) 0.0359(6) Uani d . 1 . .
    C C62 1.0403(3) 0.53139(16) 0.26052(16) 0.0410(7) Uani d . 1 . .
    H H62A 1.1153 0.5383 0.2286 0.049 Uiso calc R 1 . .
    C C63 1.0199(2) 0.45177(16) 0.26701(15) 0.0375(6) Uani d . 1 . .
    H H63A 1.0834 0.4058 0.2394 0.045 Uiso calc R 1 . .
    C C64 0.8901(4) 0.8392(2) 0.3297(2) 0.0704(11) Uani d . 1 . .
    H H64A 0.8360 0.8820 0.3646 0.084 Uiso calc R 1 . .
    C C65 0.8832(4) 0.75557(19) 0.34439(18) 0.0624(10) Uani d . 1 . .
    H H65A 0.8272 0.7428 0.3888 0.075 Uiso calc R 1 . .
    C C66 0.9601(3) 0.69054(17) 0.29244(17) 0.0426(7) Uani d . 1 . .
    C C67 1.0436(3) 0.71389(19) 0.2294(2) 0.0600(9) Uani d . 1 . .
    H H67A 1.0981 0.6728 0.1931 0.072 Uiso calc R 1 . .
    C C68 1.0455(3) 0.7992(2) 0.2207(3) 0.0719(11) Uani d . 1 . .
    H H68A 1.1039 0.8133 0.1783 0.086 Uiso calc R 1 . .
    O O3W 0.44251(19) 0.73311(13) 0.00868(11) 0.0560(5) Uani d . 1 . .
    H H3WA 0.4028 0.7630 -0.0189 0.084 Uiso d R 1 . .
    H H3WB 0.5018 0.7530 0.0031 0.084 Uiso d R 1 . .
_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
    _geom_bond_atom_site_label_1
    _geom_bond_atom_site_label_2
    _geom_bond_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    Gd1 O10 . 2.4132(15) ?
    Gd1 O1 . 2.4146(16) ?
    Gd1 O1W . 2.4177(16) ?
    Gd1 O2 . 2.4187(17) ?
    Gd1 O5 . 2.4359(17) ?
    Gd1 O7 . 2.4480(17) ?
    Gd1 O4 . 2.5295(18) ?
    Gd1 O8 . 2.5671(16) ?
    Gd1 N1 . 2.568(2) ?
    Gd1 C8 . 2.768(2) ?
    Gd1 C16 . 2.856(3) ?
    Gd1 C24 . 2.875(2) ?
    Gd2 O8 . 2.3653(15) ?
    Gd2 O14 . 2.4075(17) ?
    Gd2 O2W . 2.4193(16) ?
    Gd2 O13 . 2.4207(16) ?
    Gd2 O16 . 2.4469(18) ?
    Gd2 O17 . 2.5118(18) ?
    Gd2 O10 . 2.5387(16) ?
    Gd2 O11 . 2.5697(16) ?
    Gd2 N3 . 2.5893(19) ?
    Gd2 C40 . 2.784(2) ?
    Gd2 C48 . 2.855(3) ?
    Gd2 C32 . 2.932(2) ?
    O1 C8 . 1.262(3) ?
    O1W H1WA . 0.7792 ?
    O1W H1WB . 0.7713 ?
    O2 C8 . 1.246(3) ?
    O2W H2WA . 0.8281 ?
    O2W H2WB . 0.8199 ?
    O3 C4 . 1.374(3) ?
    O3 H3 . 0.8200 ?
    O4 C16 . 1.262(3) ?
    O5 C16 . 1.258(3) ?
    O6 C12 . 1.379(3) ?
    O6 H6 . 0.8200 ?
    O7 C24 . 1.238(3) ?
    O8 C24 . 1.275(3) ?
    O9 C20 . 1.369(3) ?
    O9 H9 . 0.8200 ?
    O10 C32 . 1.275(3) ?
    O11 C32 . 1.252(3) ?
    O12 C28 . 1.377(3) ?
    O12 H12 . 0.8200 ?
    O13 C40 . 1.265(3) ?
    O14 C40 . 1.254(3) ?
    O15 C36 . 1.368(3) ?
    O15 H15 . 0.8200 ?
    O16 C48 . 1.253(3) ?
    O17 C48 . 1.265(3) ?
    O18 C44 . 1.362(3) ?
    O18 H18 . 0.8200 ?
    N1 C49 . 1.335(3) ?
    N1 C53 . 1.336(3) ?
    N2 C58 . 1.316(5) ?
    N2 C54 . 1.329(5) ?
    N3 C63 . 1.333(3) ?
    N3 C59 . 1.340(3) ?
    N4 C64 . 1.323(5) ?
    N4 C68 . 1.324(5) ?
    C1 C6 . 1.375(4) ?
    C1 C2 . 1.382(4) ?
    C1 C7 . 1.499(4) ?
    C2 C3 . 1.373(4) ?
    C2 H2A . 0.9300 ?
    C3 C4 . 1.371(4) ?
    C3 H3B . 0.9300 ?
    C4 C5 . 1.370(4) ?
    C5 C6 . 1.387(4) ?
    C5 H5A . 0.9300 ?
    C6 H6B . 0.9300 ?
    C7 C8 . 1.510(3) ?
    C7 H7A . 0.9700 ?
    C7 H7B . 0.9700 ?
    C9 C14 . 1.379(4) ?
    C9 C10 . 1.391(4) ?
    C9 C15 . 1.517(4) ?
    C10 C11 . 1.374(4) ?
    C10 H10A . 0.9300 ?
    C11 C12 . 1.372(4) ?
    C11 H11A . 0.9300 ?
    C12 C13 . 1.371(4) ?
    C13 C14 . 1.380(4) ?
    C13 H13A . 0.9300 ?
    C14 H14A . 0.9300 ?
    C15 C16 . 1.503(3) ?
    C15 H15B . 0.9700 ?
    C15 H15C . 0.9700 ?
    C17 C18 . 1.383(4) ?
    C17 C22 . 1.385(4) ?
    C17 C23 . 1.506(4) ?
    C18 C19 . 1.387(4) ?
    C18 H18B . 0.9300 ?
    C19 C20 . 1.379(4) ?
    C19 H19A . 0.9300 ?
    C20 C21 . 1.381(4) ?
    C21 C22 . 1.375(4) ?
    C21 H21A . 0.9300 ?
    C22 H22A . 0.9300 ?
    C23 C24 . 1.510(4) ?
    C23 H23A . 0.9700 ?
    C23 H23B . 0.9700 ?
    C25 C30 . 1.384(4) ?
    C25 C26 . 1.385(4) ?
    C25 C31 . 1.509(3) ?
    C26 C27 . 1.382(4) ?
    C26 H26A . 0.9300 ?
    C27 C28 . 1.372(4) ?
    C27 H27A . 0.9300 ?
    C28 C29 . 1.380(4) ?
    C29 C30 . 1.377(4) ?
    C29 H29A . 0.9300 ?
    C30 H30A . 0.9300 ?
    C31 C32 . 1.501(3) ?
    C31 H31A . 0.9700 ?
    C31 H31B . 0.9700 ?
    C33 C34 . 1.383(3) ?
    C33 C38 . 1.388(3) ?
    C33 C39 . 1.501(3) ?
    C34 C35 . 1.384(4) ?
    C34 H34A . 0.9300 ?
    C35 C36 . 1.378(4) ?
    C35 H35A . 0.9300 ?
    C36 C37 . 1.380(4) ?
    C37 C38 . 1.367(4) ?
    C37 H37A . 0.9300 ?
    C38 H38A . 0.9300 ?
    C39 C40 . 1.510(3) ?
    C39 H39A . 0.9700 ?
    C39 H39B . 0.9700 ?
    C41 C42 . 1.381(4) ?
    C41 C46 . 1.389(4) ?
    C41 C47 . 1.513(4) ?
    C42 C43 . 1.382(4) ?
    C42 H42A . 0.9300 ?
    C43 C44 . 1.382(4) ?
    C43 H43A . 0.9300 ?
    C44 C45 . 1.381(4) ?
    C45 C46 . 1.378(4) ?
    C45 H45A . 0.9300 ?
    C46 H46A . 0.9300 ?
    C47 C48 . 1.506(4) ?
    C47 H47A . 0.9700 ?
    C47 H47B . 0.9700 ?
    C49 C50 . 1.380(3) ?
    C49 H49A . 0.9300 ?
    C50 C51 . 1.382(4) ?
    C50 H50A . 0.9300 ?
    C51 C52 . 1.382(4) ?
    C51 C56 . 1.487(3) ?
    C52 C53 . 1.377(3) ?
    C52 H52A . 0.9300 ?
    C53 H53A . 0.9300 ?
    C54 C55 . 1.385(4) ?
    C54 H54A . 0.9300 ?
    C55 C56 . 1.379(4) ?
    C55 H55A . 0.9300 ?
    C56 C57 . 1.378(4) ?
    C57 C58 . 1.381(4) ?
    C57 H57A . 0.9300 ?
    C58 H58A . 0.9300 ?
    C59 C60 . 1.378(4) ?
    C59 H59A . 0.9300 ?
    C60 C61 . 1.381(4) ?
    C60 H60A . 0.9300 ?
    C61 C62 . 1.390(4) ?
    C61 C66 . 1.485(3) ?
    C62 C63 . 1.378(3) ?
    C62 H62A . 0.9300 ?
    C63 H63A . 0.9300 ?
    C64 C65 . 1.381(4) ?
    C64 H64A . 0.9300 ?
    C65 C66 . 1.389(4) ?
    C65 H65A . 0.9300 ?
    C66 C67 . 1.377(4) ?
    C67 C68 . 1.385(4) ?
    C67 H67A . 0.9300 ?
    C68 H68A . 0.9300 ?
    O3W H3WA . 0.8095 ?
    O3W H3WB . 0.8339 ?
loop_
    _geom_angle_atom_site_label_1
    _geom_angle_atom_site_label_2
    _geom_angle_atom_site_label_3
    _geom_angle_site_symmetry_1
    _geom_angle_site_symmetry_3
    _geom_angle
    _geom_angle_publ_flag
    O10 Gd1 O1 . . 73.49(5) ?
    O10 Gd1 O1W . . 79.74(5) ?
    O1 Gd1 O1W . . 145.42(6) ?
    O10 Gd1 O2 . . 126.77(5) ?
    O1 Gd1 O2 . . 53.62(6) ?
    O1W Gd1 O2 . . 149.95(6) ?
    O10 Gd1 O5 . . 84.86(6) ?
    O1 Gd1 O5 . . 123.03(6) ?
    O1W Gd1 O5 . . 74.79(6) ?
    O2 Gd1 O5 . . 117.09(6) ?
    O10 Gd1 O7 . . 117.15(6) ?
    O1 Gd1 O7 . . 95.22(7) ?
    O1W Gd1 O7 . . 77.79(6) ?
    O2 Gd1 O7 . . 76.98(7) ?
    O5 Gd1 O7 . . 140.79(6) ?
    O10 Gd1 O4 . . 90.62(6) ?
    O1 Gd1 O4 . . 75.77(6) ?
    O1W Gd1 O4 . . 126.62(6) ?
    O2 Gd1 O4 . . 72.53(6) ?
    O5 Gd1 O4 . . 51.99(6) ?
    O7 Gd1 O4 . . 147.45(6) ?
    O10 Gd1 O8 . . 66.00(5) ?
    O1 Gd1 O8 . . 75.82(5) ?
    O1W Gd1 O8 . . 73.47(5) ?
    O2 Gd1 O8 . . 102.56(6) ?
    O5 Gd1 O8 . . 139.94(5) ?
    O7 Gd1 O8 . . 51.47(5) ?
    O4 Gd1 O8 . . 147.34(5) ?
    O10 Gd1 N1 . . 154.44(6) ?
    O1 Gd1 N1 . . 130.04(6) ?
    O1W Gd1 N1 . . 81.33(6) ?
    O2 Gd1 N1 . . 76.56(6) ?
    O5 Gd1 N1 . . 73.68(6) ?
    O7 Gd1 N1 . . 74.93(6) ?
    O4 Gd1 N1 . . 87.01(6) ?
    O8 Gd1 N1 . . 123.99(6) ?
    O10 Gd1 C8 . . 100.05(7) ?
    O1 Gd1 C8 . . 27.11(6) ?
    O1W Gd1 C8 . . 163.63(7) ?
    O2 Gd1 C8 . . 26.73(6) ?
    O5 Gd1 C8 . . 121.57(7) ?
    O7 Gd1 C8 . . 87.98(7) ?
    O4 Gd1 C8 . . 69.67(7) ?
    O8 Gd1 C8 . . 91.37(6) ?
    N1 Gd1 C8 . . 102.93(7) ?
    O10 Gd1 C16 . . 89.89(6) ?
    O1 Gd1 C16 . . 100.66(7) ?
    O1W Gd1 C16 . . 100.77(7) ?
    O2 Gd1 C16 . . 93.83(7) ?
    O5 Gd1 C16 . . 25.99(6) ?
    O7 Gd1 C16 . . 151.73(6) ?
    O4 Gd1 C16 . . 26.22(6) ?
    O8 Gd1 C16 . . 155.75(6) ?
    N1 Gd1 C16 . . 76.94(7) ?
    C8 Gd1 C16 . . 95.60(8) ?
    O10 Gd1 C24 . . 91.87(6) ?
    O1 Gd1 C24 . . 87.13(7) ?
    O1W Gd1 C24 . . 72.09(7) ?
    O2 Gd1 C24 . . 91.21(7) ?
    O5 Gd1 C24 . . 146.77(6) ?
    O7 Gd1 C24 . . 25.30(6) ?
    O4 Gd1 C24 . . 161.24(6) ?
    O8 Gd1 C24 . . 26.31(6) ?
    N1 Gd1 C24 . . 98.49(7) ?
    C8 Gd1 C24 . . 91.59(7) ?
    C16 Gd1 C24 . . 172.19(7) ?
    O8 Gd2 O14 . . 128.23(5) ?
    O8 Gd2 O2W . . 78.66(6) ?
    O14 Gd2 O2W . . 143.57(6) ?
    O8 Gd2 O13 . . 75.12(5) ?
    O14 Gd2 O13 . . 53.70(6) ?
    O2W Gd2 O13 . . 147.68(6) ?
    O8 Gd2 O16 . . 81.01(6) ?
    O14 Gd2 O16 . . 126.83(6) ?
    O2W Gd2 O16 . . 75.76(6) ?
    O13 Gd2 O16 . . 117.69(6) ?
    O8 Gd2 O17 . . 98.64(6) ?
    O14 Gd2 O17 . . 77.82(6) ?
    O2W Gd2 O17 . . 127.09(6) ?
    O13 Gd2 O17 . . 75.88(6) ?
    O16 Gd2 O17 . . 52.01(6) ?
    O8 Gd2 O10 . . 67.13(5) ?
    O14 Gd2 O10 . . 90.95(6) ?
    O2W Gd2 O10 . . 76.95(6) ?
    O13 Gd2 O10 . . 75.66(6) ?
    O16 Gd2 O10 . . 141.35(5) ?
    O17 Gd2 O10 . . 150.66(5) ?
    O8 Gd2 O11 . . 115.28(5) ?
    O14 Gd2 O11 . . 73.16(6) ?
    O2W Gd2 O11 . . 72.69(6) ?
    O13 Gd2 O11 . . 101.96(6) ?
    O16 Gd2 O11 . . 140.12(6) ?
    O17 Gd2 O11 . . 144.49(6) ?
    O10 Gd2 O11 . . 50.57(5) ?
    O8 Gd2 N3 . . 154.59(6) ?
    O14 Gd2 N3 . . 75.97(6) ?
    O2W Gd2 N3 . . 83.92(6) ?
    O13 Gd2 N3 . . 126.60(6) ?
    O16 Gd2 N3 . . 76.84(6) ?
    O17 Gd2 N3 . . 77.34(6) ?
    O10 Gd2 N3 . . 126.51(6) ?
    O11 Gd2 N3 . . 76.15(6) ?
    O8 Gd2 C40 . . 101.90(6) ?
    O14 Gd2 C40 . . 26.70(6) ?
    O2W Gd2 C40 . . 157.94(7) ?
    O13 Gd2 C40 . . 27.00(6) ?
    O16 Gd2 C40 . . 126.27(7) ?
    O17 Gd2 C40 . . 74.87(6) ?
    O10 Gd2 C40 . . 82.95(6) ?
    O11 Gd2 C40 . . 87.57(7) ?
    N3 Gd2 C40 . . 101.18(7) ?
    O8 Gd2 C48 . . 91.76(6) ?
    O14 Gd2 C48 . . 101.95(7) ?
    O2W Gd2 C48 . . 100.94(7) ?
    O13 Gd2 C48 . . 98.45(7) ?
    O16 Gd2 C48 . . 25.90(7) ?
    O17 Gd2 C48 . . 26.27(6) ?
    O10 Gd2 C48 . . 158.86(6) ?
    O11 Gd2 C48 . . 149.45(6) ?
    N3 Gd2 C48 . . 73.45(7) ?
    C40 Gd2 C48 . . 101.09(7) ?
    O8 Gd2 C32 . . 90.56(6) ?
    O14 Gd2 C32 . . 83.98(7) ?
    O2W Gd2 C32 . . 70.21(6) ?
    O13 Gd2 C32 . . 91.34(6) ?
    O16 Gd2 C32 . . 145.93(6) ?
    O17 Gd2 C32 . . 161.63(6) ?
    O10 Gd2 C32 . . 25.68(6) ?
    O11 Gd2 C32 . . 25.21(6) ?
    N3 Gd2 C32 . . 100.84(6) ?
    C40 Gd2 C32 . . 87.73(7) ?
    C48 Gd2 C32 . . 170.20(7) ?
    C8 O1 Gd1 . . 92.24(14) ?
    Gd1 O1W H1WA . . 132.3 ?
    Gd1 O1W H1WB . . 119.3 ?
    H1WA O1W H1WB . . 107.7 ?
    C8 O2 Gd1 . . 92.46(15) ?
    Gd2 O2W H2WA . . 130.6 ?
    Gd2 O2W H2WB . . 124.4 ?
    H2WA O2W H2WB . . 104.7 ?
    C4 O3 H3 . . 109.5 ?
    C16 O4 Gd1 . . 91.49(15) ?
    C16 O5 Gd1 . . 95.99(15) ?
    C12 O6 H6 . . 109.5 ?
    C24 O7 Gd1 . . 97.02(15) ?
    C24 O8 Gd2 . . 153.55(16) ?
    C24 O8 Gd1 . . 90.46(14) ?
    Gd2 O8 Gd1 . . 113.76(6) ?
    C20 O9 H9 . . 109.5 ?
    C32 O10 Gd1 . . 142.46(15) ?
    C32 O10 Gd2 . . 94.68(14) ?
    Gd1 O10 Gd2 . . 113.11(6) ?
    C32 O11 Gd2 . . 93.81(14) ?
    C28 O12 H12 . . 109.5 ?
    C40 O13 Gd2 . . 92.71(13) ?
    C40 O14 Gd2 . . 93.64(15) ?
    C36 O15 H15 . . 109.5 ?
    C48 O16 Gd2 . . 95.57(15) ?
    C48 O17 Gd2 . . 92.20(15) ?
    C44 O18 H18 . . 109.5 ?
    C49 N1 C53 . . 116.6(2) ?
    C49 N1 Gd1 . . 118.59(16) ?
    C53 N1 Gd1 . . 124.45(17) ?
    C58 N2 C54 . . 115.9(3) ?
    C63 N3 C59 . . 116.2(2) ?
    C63 N3 Gd2 . . 121.96(16) ?
    C59 N3 Gd2 . . 121.48(17) ?
    C64 N4 C68 . . 116.5(3) ?
    C6 C1 C2 . . 117.5(2) ?
    C6 C1 C7 . . 121.6(3) ?
    C2 C1 C7 . . 120.9(3) ?
    C3 C2 C1 . . 121.5(3) ?
    C3 C2 H2A . . 119.3 ?
    C1 C2 H2A . . 119.3 ?
    C4 C3 C2 . . 120.1(3) ?
    C4 C3 H3B . . 119.9 ?
    C2 C3 H3B . . 119.9 ?
    C5 C4 C3 . . 119.7(2) ?
    C5 C4 O3 . . 122.8(2) ?
    C3 C4 O3 . . 117.5(2) ?
    C4 C5 C6 . . 119.6(3) ?
    C4 C5 H5A . . 120.2 ?
    C6 C5 H5A . . 120.2 ?
    C1 C6 C5 . . 121.5(3) ?
    C1 C6 H6B . . 119.2 ?
    C5 C6 H6B . . 119.2 ?
    C1 C7 C8 . . 115.9(2) ?
    C1 C7 H7A . . 108.3 ?
    C8 C7 H7A . . 108.3 ?
    C1 C7 H7B . . 108.3 ?
    C8 C7 H7B . . 108.3 ?
    H7A C7 H7B . . 107.4 ?
    O2 C8 O1 . . 120.7(2) ?
    O2 C8 C7 . . 119.5(2) ?
    O1 C8 C7 . . 119.8(2) ?
    O2 C8 Gd1 . . 60.81(13) ?
    O1 C8 Gd1 . . 60.65(12) ?
    C7 C8 Gd1 . . 169.9(2) ?
    C14 C9 C10 . . 117.8(2) ?
    C14 C9 C15 . . 122.3(2) ?
    C10 C9 C15 . . 119.8(2) ?
    C11 C10 C9 . . 121.0(3) ?
    C11 C10 H10A . . 119.5 ?
    C9 C10 H10A . . 119.5 ?
    C12 C11 C10 . . 120.3(3) ?
    C12 C11 H11A . . 119.9 ?
    C10 C11 H11A . . 119.9 ?
    C13 C12 C11 . . 119.6(3) ?
    C13 C12 O6 . . 118.9(3) ?
    C11 C12 O6 . . 121.5(3) ?
    C12 C13 C14 . . 120.1(3) ?
    C12 C13 H13A . . 120.0 ?
    C14 C13 H13A . . 120.0 ?
    C9 C14 C13 . . 121.2(3) ?
    C9 C14 H14A . . 119.4 ?
    C13 C14 H14A . . 119.4 ?
    C16 C15 C9 . . 111.5(2) ?
    C16 C15 H15B . . 109.3 ?
    C9 C15 H15B . . 109.3 ?
    C16 C15 H15C . . 109.3 ?
    C9 C15 H15C . . 109.3 ?
    H15B C15 H15C . . 108.0 ?
    O5 C16 O4 . . 119.6(2) ?
    O5 C16 C15 . . 119.5(2) ?
    O4 C16 C15 . . 120.9(2) ?
    O5 C16 Gd1 . . 58.02(13) ?
    O4 C16 Gd1 . . 62.29(13) ?
    C15 C16 Gd1 . . 169.50(17) ?
    C18 C17 C22 . . 117.8(3) ?
    C18 C17 C23 . . 120.9(3) ?
    C22 C17 C23 . . 121.3(3) ?
    C17 C18 C19 . . 121.4(3) ?
    C17 C18 H18B . . 119.3 ?
    C19 C18 H18B . . 119.3 ?
    C20 C19 C18 . . 119.8(3) ?
    C20 C19 H19A . . 120.1 ?
    C18 C19 H19A . . 120.1 ?
    O9 C20 C19 . . 122.6(3) ?
    O9 C20 C21 . . 118.0(2) ?
    C19 C20 C21 . . 119.4(3) ?
    C22 C21 C20 . . 120.2(3) ?
    C22 C21 H21A . . 119.9 ?
    C20 C21 H21A . . 119.9 ?
    C21 C22 C17 . . 121.4(3) ?
    C21 C22 H22A . . 119.3 ?
    C17 C22 H22A . . 119.3 ?
    C17 C23 C24 . . 111.9(2) ?
    C17 C23 H23A . . 109.2 ?
    C24 C23 H23A . . 109.2 ?
    C17 C23 H23B . . 109.2 ?
    C24 C23 H23B . . 109.2 ?
    H23A C23 H23B . . 107.9 ?
    O7 C24 O8 . . 120.4(2) ?
    O7 C24 C23 . . 120.3(2) ?
    O8 C24 C23 . . 119.3(2) ?
    O7 C24 Gd1 . . 57.67(13) ?
    O8 C24 Gd1 . . 63.23(12) ?
    C23 C24 Gd1 . . 171.66(19) ?
    C30 C25 C26 . . 117.9(2) ?
    C30 C25 C31 . . 120.0(3) ?
    C26 C25 C31 . . 122.1(3) ?
    C27 C26 C25 . . 121.2(3) ?
    C27 C26 H26A . . 119.4 ?
    C25 C26 H26A . . 119.4 ?
    C28 C27 C26 . . 119.6(3) ?
    C28 C27 H27A . . 120.2 ?
    C26 C27 H27A . . 120.2 ?
    C27 C28 O12 . . 122.0(2) ?
    C27 C28 C29 . . 120.3(2) ?
    O12 C28 C29 . . 117.7(2) ?
    C30 C29 C28 . . 119.5(3) ?
    C30 C29 H29A . . 120.3 ?
    C28 C29 H29A . . 120.3 ?
    C29 C30 C25 . . 121.4(3) ?
    C29 C30 H30A . . 119.3 ?
    C25 C30 H30A . . 119.3 ?
    C32 C31 C25 . . 115.0(2) ?
    C32 C31 H31A . . 108.5 ?
    C25 C31 H31A . . 108.5 ?
    C32 C31 H31B . . 108.5 ?
    C25 C31 H31B . . 108.5 ?
    H31A C31 H31B . . 107.5 ?
    O11 C32 O10 . . 119.4(2) ?
    O11 C32 C31 . . 122.7(2) ?
    O10 C32 C31 . . 117.9(2) ?
    O11 C32 Gd2 . . 60.97(12) ?
    O10 C32 Gd2 . . 59.64(12) ?
    C31 C32 Gd2 . . 168.77(18) ?
    C34 C33 C38 . . 117.4(2) ?
    C34 C33 C39 . . 121.4(2) ?
    C38 C33 C39 . . 121.2(2) ?
    C33 C34 C35 . . 121.2(2) ?
    C33 C34 H34A . . 119.4 ?
    C35 C34 H34A . . 119.4 ?
    C36 C35 C34 . . 120.0(2) ?
    C36 C35 H35A . . 120.0 ?
    C34 C35 H35A . . 120.0 ?
    O15 C36 C35 . . 122.8(2) ?
    O15 C36 C37 . . 117.8(2) ?
    C35 C36 C37 . . 119.4(2) ?
    C38 C37 C36 . . 119.9(2) ?
    C38 C37 H37A . . 120.0 ?
    C36 C37 H37A . . 120.0 ?
    C37 C38 C33 . . 122.0(2) ?
    C37 C38 H38A . . 119.0 ?
    C33 C38 H38A . . 119.0 ?
    C33 C39 C40 . . 115.8(2) ?
    C33 C39 H39A . . 108.3 ?
    C40 C39 H39A . . 108.3 ?
    C33 C39 H39B . . 108.3 ?
    C40 C39 H39B . . 108.3 ?
    H39A C39 H39B . . 107.4 ?
    O14 C40 O13 . . 119.9(2) ?
    O14 C40 C39 . . 118.8(2) ?
    O13 C40 C39 . . 121.3(2) ?
    O14 C40 Gd2 . . 59.66(12) ?
    O13 C40 Gd2 . . 60.29(12) ?
    C39 C40 Gd2 . . 177.10(18) ?
    C42 C41 C46 . . 117.2(2) ?
    C42 C41 C47 . . 120.9(3) ?
    C46 C41 C47 . . 121.8(3) ?
    C41 C42 C43 . . 121.8(3) ?
    C41 C42 H42A . . 119.1 ?
    C43 C42 H42A . . 119.1 ?
    C44 C43 C42 . . 119.9(3) ?
    C44 C43 H43A . . 120.1 ?
    C42 C43 H43A . . 120.1 ?
    O18 C44 C45 . . 117.8(3) ?
    O18 C44 C43 . . 122.8(3) ?
    C45 C44 C43 . . 119.4(3) ?
    C46 C45 C44 . . 119.8(3) ?
    C46 C45 H45A . . 120.1 ?
    C44 C45 H45A . . 120.1 ?
    C45 C46 C41 . . 121.8(3) ?
    C45 C46 H46A . . 119.1 ?
    C41 C46 H46A . . 119.1 ?
    C48 C47 C41 . . 111.9(2) ?
    C48 C47 H47A . . 109.2 ?
    C41 C47 H47A . . 109.2 ?
    C48 C47 H47B . . 109.2 ?
    C41 C47 H47B . . 109.2 ?
    H47A C47 H47B . . 107.9 ?
    O16 C48 O17 . . 119.5(2) ?
    O16 C48 C47 . . 119.9(2) ?
    O17 C48 C47 . . 120.6(2) ?
    O16 C48 Gd2 . . 58.53(13) ?
    O17 C48 Gd2 . . 61.53(13) ?
    C47 C48 Gd2 . . 171.38(17) ?
    N1 C49 C50 . . 123.6(2) ?
    N1 C49 H49A . . 118.2 ?
    C50 C49 H49A . . 118.2 ?
    C49 C50 C51 . . 119.4(3) ?
    C49 C50 H50A . . 120.3 ?
    C51 C50 H50A . . 120.3 ?
    C50 C51 C52 . . 117.2(2) ?
    C50 C51 C56 . . 121.7(3) ?
    C52 C51 C56 . . 121.1(2) ?
    C53 C52 C51 . . 119.8(2) ?
    C53 C52 H52A . . 120.1 ?
    C51 C52 H52A . . 120.1 ?
    N1 C53 C52 . . 123.3(3) ?
    N1 C53 H53A . . 118.4 ?
    C52 C53 H53A . . 118.4 ?
    N2 C54 C55 . . 123.9(3) ?
    N2 C54 H54A . . 118.1 ?
    C55 C54 H54A . . 118.1 ?
    C56 C55 C54 . . 119.4(3) ?
    C56 C55 H55A . . 120.3 ?
    C54 C55 H55A . . 120.3 ?
    C57 C56 C55 . . 116.9(3) ?
    C57 C56 C51 . . 122.1(3) ?
    C55 C56 C51 . . 121.0(3) ?
    C56 C57 C58 . . 119.3(3) ?
    C56 C57 H57A . . 120.4 ?
    C58 C57 H57A . . 120.4 ?
    N2 C58 C57 . . 124.6(3) ?
    N2 C58 H58A . . 117.7 ?
    C57 C58 H58A . . 117.7 ?
    N3 C59 C60 . . 123.2(3) ?
    N3 C59 H59A . . 118.4 ?
    C60 C59 H59A . . 118.4 ?
    C59 C60 C61 . . 120.5(2) ?
    C59 C60 H60A . . 119.7 ?
    C61 C60 H60A . . 119.7 ?
    C60 C61 C62 . . 116.2(2) ?
    C60 C61 C66 . . 121.2(2) ?
    C62 C61 C66 . . 122.5(3) ?
    C63 C62 C61 . . 119.9(3) ?
    C63 C62 H62A . . 120.1 ?
    C61 C62 H62A . . 120.1 ?
    N3 C63 C62 . . 123.9(2) ?
    N3 C63 H63A . . 118.1 ?
    C62 C63 H63A . . 118.1 ?
    N4 C64 C65 . . 123.6(4) ?
    N4 C64 H64A . . 118.2 ?
    C65 C64 H64A . . 118.2 ?
    C64 C65 C66 . . 119.7(3) ?
    C64 C65 H65A . . 120.1 ?
    C66 C65 H65A . . 120.1 ?
    C67 C66 C65 . . 116.7(3) ?
    C67 C66 C61 . . 121.3(3) ?
    C65 C66 C61 . . 122.0(3) ?
    C66 C67 C68 . . 119.3(3) ?
    C66 C67 H67A . . 120.3 ?
    C68 C67 H67A . . 120.3 ?
    N4 C68 C67 . . 124.1(4) ?
    N4 C68 H68A . . 117.9 ?
    C67 C68 H68A . . 117.9 ?
    H3WA O3W H3WB . . 104.8 ?
loop_
    _geom_hbond_atom_site_label_D
    _geom_hbond_atom_site_label_H
    _geom_hbond_atom_site_label_A
    _geom_hbond_site_symmetry_A
    _geom_hbond_distance_DH
    _geom_hbond_distance_HA
    _geom_hbond_distance_DA
    _geom_hbond_angle_DHA
    O1W H1WB O13 . 0.77 2.00 2.744(2) 160.9
    O1W H1WA N4 1_545 0.78 2.02 2.784(3) 167.1
    O2W H2WB O1 . 0.82 2.00 2.750(2) 151.1
    O2W H2WA N2 1_565 0.83 2.03 2.842(3) 167.4
    O3 H3 O3W . 0.82 1.86 2.641(3) 159.7
    O6 H6 O12 1_545 0.82 1.94 2.743(3) 167.9
    O9 H9 O17 2_756 0.82 1.87 2.675(3) 167.3
    O12 H12 O11 2_765 0.82 1.94 2.750(3) 167.4
    O15 H15 O3 1_645 0.82 1.90 2.717(3) 173.6
    O18 H18 O9 1_565 0.82 1.97 2.767(3) 162.4
    O3W H3WA O4 2_665 0.81 1.96 2.773(3) 179.3
    O3W H3WB O6 1_565 0.83 1.99 2.808(3) 165.0
data_global
_journal_date_recd_electronic     2010-10-07
_journal_date_accepted     2010-10-13
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2010
_journal_volume     66
_journal_issue     11
_journal_page_first     m1428
_journal_page_last     m1429
_journal_paper_category     QM
_journal_coeditor_code     DN2609
_publ_contact_author_name     'Guo-Liang Zhao'
_publ_contact_author_address
;
  College of Chemistry and Life Sciences,
  Zhejiang Normal University,
  Jinhua 321004, People's Republic of China;
  Zhejiang Normal University Xingzhi College,
  Jinhua 321004, People's Republic of China
;
_publ_contact_author_email     'sky53@zjnu.cn'
_publ_contact_author_fax     '86-579-82282595'
_publ_contact_author_phone     '86-579-82283925'
_publ_section_title
;\
Bis[μ-2-(4-hydroxyphenyl)acetato]-\
κ³O,O':O;κ³O:O,O'-\
bis{aqua(4,4'-bipyridine-κN)bis[2-(4-hydroxyphenyl)acetato-\
κ²O,O']gadolinium(III)} monohydrate
;
loop_
    _publ_author_name
    _publ_author_address
    'Jia-Lu Liu'
;
 College of Chemistry and Life Sciences,
  Zhejiang Normal University,
  Jinhua 321004, People's Republic of China;
  Zhejiang Normal University Xingzhi College,
  Jinhua 321004, People's Republic of China
;
    'Jian-Feng Liu'
;
 College of Chemistry and Life Sciences,
  Zhejiang Normal University,
  Jinhua 321004, People's Republic of China;
  Zhejiang Normal University Xingzhi College,
  Jinhua 321004, People's Republic of China
;
    'Guo-Liang Zhao'
;
 College of Chemistry and Life Sciences,
  Zhejiang Normal University,
  Jinhua 321004, People's Republic of China;
  Zhejiang Normal University Xingzhi College,
  Jinhua 321004, People's Republic of China
;
