##############################################################################
###                                                                        ###
###        Electronic paper (Acta Crystallographica Section E)             ###
###                                                                        ###
##############################################################################
#                                                                            #
# 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.                                        #
#                                                                            #
# Full details of the Crystallographic Information File format               #
# are given in the paper "The Crystallographic Information File (CIF):       #
# a New Standard Archive File for Crystallography" by S. R. Hall, F. H.      #
# Allen and I. D. Brown [Acta Cryst. (1991), A47, 655-685].                  #
#                                                                            #
# The current version of the core CIF dictionary is obtainable from          #
# ftp://ftp.iucr.org/pub/cif_core.dic. The current version number is 2.4.    #
#                                                                            #
# Software is freely available for graphical display of the structure(s) in  #
# this CIF.  For information consult the CIF home page http://www.iucr.org/  #
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data_global
_audit_creation_method     'from SHELXL97 CIF and IUCr SHELXL97-template'
_journal_date_recd_electronic     2010-04-13
_journal_date_accepted     2010-04-27
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2010
_journal_volume     66
_journal_issue      5
_journal_page_first     m599
_journal_page_last     m600
_journal_paper_category     QM
_journal_coeditor_code     WM2326
_publ_contact_author_name     'Dr. Jing Lu'
_publ_contact_author_address
; School of Chemistry and Chemical Engineering
  Liaocheng University
  Liaocheng 252059
;
_publ_contact_author_email     'lujing@lcu.edu.cn'
_publ_contact_author_fax     '84 635 8239121'
_publ_contact_author_phone     '84 635 8230680'
_publ_section_title
;
Tris(ethylenediammonium) bis[(2-aminoethyl)ammonium] bis[bis(μ₅-hydrogen
phosphato)penta-μ₂-oxido-decaoxidopentamolybdenum(VI)] decahydrate
;
loop_
    _publ_author_name
    _publ_author_footnote
    _publ_author_address
    'Jing Lu'
; ?
;
; School of Chemistry and Chemical Engineering
  Liaocheng University
  Liaocheng 252059
  People's Republic of China
;
    'Hao Song'
; ?
;
; School of Chemistry and Chemical Engineering
  Liaocheng University
  Liaocheng 252059
  People's Republic of China
;
    'Da-Qi Wang'
; ?
;
; School of Chemistry and Chemical Engineering
  Liaocheng University
  Liaocheng 252059
  People's Republic of China
;
    'Mei-Ju Niu'
; ?
;
; School of Chemistry and Chemical Engineering
  Liaocheng University
  Liaocheng 252059
  People's Republic of China
;
data_I
_audit_creation_method     SHELXL-97
_chemical_name_systematic
;
Tris(ethylenediammonium) bis[(2-aminoethyl)ammonium] bis[bis(μ₅-
hydrogen phosphato)penta-μ₂-oxido-decaoxidopentamolybdenum(VI)]
decahydrate
;
_chemical_name_common     ?
_chemical_formula_moiety
                '3(C2 H10 N2 2+), 2(C2 H9 N2 +), 2(H2 Mo5 O23 P2 4-), 10(H2 O1)'
_chemical_formula_sum     'C10 H72 Mo10 N10 O56 P4'
_chemical_formula_iupac
                          '(C2 H10 N2)3 (C2 H9 N2)2 [Mo5 (H P O4)2 O15], 10H2 O'
_chemical_formula_weight     2312.06
_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     10.0045(11)
_cell_length_b     10.6625(12)
_cell_length_c     15.1884(19)
_cell_angle_alpha     87.405(2)
_cell_angle_beta     73.1190(10)
_cell_angle_gamma     77.9780(10)
_cell_volume     1516.2(3)
_cell_formula_units_Z     1
_cell_measurement_reflns_used     5253
_cell_measurement_theta_min     1.40
_cell_measurement_theta_max     25.02
_cell_measurement_temperature     298(2)
_exptl_crystal_description     block
_exptl_crystal_colour     blue
_exptl_crystal_size_max     0.38
_exptl_crystal_size_mid     0.34
_exptl_crystal_size_min     0.30
_exptl_crystal_density_diffrn     2.532
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     1130
_exptl_absorpt_coefficient_mu     2.230
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details
;
(SADABS; Sheldrick, 1996)
;
_exptl_absorpt_correction_T_min     0.4845
_exptl_absorpt_correction_T_max     0.5543
_exptl_special_details
;
;
_diffrn_ambient_temperature     298(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     'Siemens SMART CCD area-detector'
_diffrn_measurement_method     'phi and omega scans'
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     7582
_diffrn_reflns_av_R_equivalents     0.0327
_diffrn_reflns_av_sigmaI/netI     0.0624
_diffrn_reflns_theta_min     1.40
_diffrn_reflns_theta_max     25.02
_diffrn_reflns_theta_full     25.02
_diffrn_measured_fraction_theta_max     0.981
_diffrn_measured_fraction_theta_full     0.981
_diffrn_reflns_limit_h_min     -11
_diffrn_reflns_limit_h_max     11
_diffrn_reflns_limit_k_min     -12
_diffrn_reflns_limit_k_max     12
_diffrn_reflns_limit_l_min     -16
_diffrn_reflns_limit_l_max     18
_diffrn_standards_number     0
_diffrn_standards_interval_count     .
_diffrn_standards_interval_time     .
_diffrn_standards_decay_%     ?
_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     5253
_reflns_number_gt     4015
_reflns_threshold_expression     I>2σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0596
_refine_ls_R_factor_gt     0.0407
_refine_ls_wR_factor_gt     0.0984
_refine_ls_wR_factor_ref     0.1138
_refine_ls_goodness_of_fit_ref     1.035
_refine_ls_restrained_S_all     1.035
_refine_ls_number_reflns     5253
_refine_ls_number_parameters     396
_refine_ls_number_restraints     5
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
              'w=1/[σ²(Fo²)+(0.0528P)²+3.4931P] 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     0.001
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     1.284
_refine_diff_density_min     -1.065
_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'
    'O' 'O' 0.0106 0.0060
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'P' 'P' 0.1023 0.0942
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Mo' 'Mo' -1.6832 0.6857
                         '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'
_computing_data_collection     'SMART (Siemens, 1996)'
_computing_cell_refinement     'SAINT (Siemens, 1996)'
_computing_data_reduction     'SAINT (Siemens, 1996)'
_computing_structure_solution     'SHELXS97 (Sheldrick, 2008)'
_computing_structure_refinement     'SHELXL97 (Sheldrick, 2008)'
_computing_molecular_graphics     'SHELXTL (Sheldrick, 2008)'
_computing_publication_material     'SHELXTL (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
    Mo Mo1 0.68911(6) 0.98073(6) 0.29463(4) 0.01950(16) Uani d . 1 . .
    Mo Mo2 0.70040(6) 0.66797(6) 0.33717(4) 0.01926(16) Uani d . 1 . .
    Mo Mo3 1.04111(6) 0.51146(6) 0.24970(4) 0.01935(16) Uani d . 1 . .
    Mo Mo4 1.25353(6) 0.72000(6) 0.16806(4) 0.01859(16) Uani d . 1 . .
    Mo Mo5 1.06247(6) 1.02104(6) 0.22185(4) 0.02026(17) Uani d . 1 . .
    P P1 0.96988(18) 0.79447(17) 0.37213(12) 0.0172(4) Uani d . 1 . .
    P P2 0.92311(18) 0.77833(17) 0.13393(12) 0.0173(4) Uani d D 1 . .
    O O1 0.9504(5) 0.7503(5) 0.4712(3) 0.0252(11) Uani d . 1 . .
    H H1F 0.9730 0.6690 0.4724 0.030 Uiso d R 1 . .
    O O2 0.8247(5) 0.8134(4) 0.3492(3) 0.0194(10) Uani d . 1 . .
    O O3 1.0838(4) 0.6931(4) 0.3051(3) 0.0165(10) Uani d . 1 . .
    O O4 1.0145(5) 0.9234(4) 0.3588(3) 0.0204(11) Uani d . 1 . .
    O O5 0.9720(5) 0.7288(5) 0.0357(3) 0.0253(11) Uani d . 1 . .
    H H5F 0.9054 0.7121 0.0184 0.030 Uiso d RD 1 . .
    O O6 0.7953(5) 0.8908(4) 0.1520(3) 0.0196(10) Uani d . 1 . .
    O O7 0.8823(5) 0.6662(4) 0.1989(3) 0.0185(10) Uani d . 1 . .
    O O8 1.0447(5) 0.8278(4) 0.1577(3) 0.0203(10) Uani d . 1 . .
    O O9 0.6217(5) 1.0335(5) 0.4066(3) 0.0306(12) Uani d . 1 . .
    O O10 0.5760(5) 1.0780(5) 0.2421(3) 0.0276(12) Uani d . 1 . .
    O O11 0.6061(5) 0.8291(4) 0.3003(3) 0.0198(10) Uani d . 1 . .
    O O12 0.8564(5) 1.0536(5) 0.2577(3) 0.0247(11) Uani d . 1 . .
    O O13 0.6085(5) 0.6714(5) 0.4513(3) 0.0317(13) Uani d . 1 . .
    O O14 0.6344(6) 0.5618(5) 0.2884(4) 0.0328(13) Uani d . 1 . .
    O O15 0.8706(5) 0.5525(4) 0.3514(3) 0.0210(11) Uani d . 1 . .
    O O16 1.0008(5) 0.4019(5) 0.1883(4) 0.0297(12) Uani d . 1 . .
    O O17 1.1447(5) 0.4220(5) 0.3112(4) 0.0307(12) Uani d . 1 . .
    O O18 1.1771(5) 0.5751(4) 0.1505(3) 0.0207(11) Uani d . 1 . .
    O O19 1.3806(5) 0.6492(5) 0.2178(4) 0.0325(13) Uani d . 1 . .
    O O20 1.3464(5) 0.7417(5) 0.0556(3) 0.0299(12) Uani d . 1 . .
    O O21 1.2370(5) 0.8958(5) 0.2099(3) 0.0219(11) Uani d . 1 . .
    O O22 1.0926(6) 1.1388(5) 0.2799(4) 0.0321(13) Uani d . 1 . .
    O O23 1.0943(5) 1.0763(5) 0.1119(3) 0.0320(13) Uani d . 1 . .
    O O24 0.3296(8) 0.1763(7) 0.4162(5) 0.076(2) Uani d . 1 . .
    H H24A 0.2419 0.2141 0.4404 0.091 Uiso d R 1 . .
    H H24B 0.3264 0.1133 0.3838 0.091 Uiso d R 1 . .
    O O25 0.3181(5) 0.9219(5) 0.3693(3) 0.0301(12) Uani d . 1 . .
    H H25A 0.4032 0.8802 0.3547 0.036 Uiso d R 1 . .
    H H25B 0.2831 0.9163 0.3256 0.036 Uiso d R 1 . .
    O O26 0.4289(7) 0.4016(6) 0.3250(4) 0.0511(16) Uani d . 1 . .
    H H26A 0.4839 0.4443 0.3370 0.061 Uiso d R 1 . .
    H H26B 0.3799 0.4467 0.2938 0.061 Uiso d R 1 . .
    O O27 0.3488(8) 0.2320(9) 0.1809(5) 0.098(3) Uani d . 1 . .
    H H27A 0.4030 0.1839 0.2099 0.118 Uiso d R 1 . .
    H H27B 0.2619 0.2300 0.2124 0.118 Uiso d R 1 . .
    O O28 0.2690(6) 0.2880(6) 0.0232(4) 0.0443(15) Uani d . 1 . .
    H H28A 0.3305 0.3154 0.0406 0.053 Uiso d R 1 . .
    H H28B 0.2403 0.2316 0.0625 0.053 Uiso d R 1 . .
    C C1 0.3022(8) 0.5766(8) 0.9035(5) 0.0328(18) Uiso d D 1 . .
    H H1D 0.3735 0.5145 0.8608 0.039 Uiso calc R 1 . .
    H H1E 0.3418 0.5931 0.9519 0.039 Uiso calc R 1 . .
    C C2 0.2697(9) 0.6994(8) 0.8535(5) 0.037(2) Uiso d D 1 . .
    H H2A 0.3583 0.7180 0.8138 0.045 Uiso calc R 1 . .
    H H2B 0.2112 0.6877 0.8147 0.045 Uiso calc R 1 . .
    C C3 0.2894(8) 0.6276(8) 0.4831(6) 0.037(2) Uani d D 1 . .
    H H3A 0.3200 0.6701 0.4251 0.045 Uiso calc R 1 . .
    H H3B 0.3715 0.5671 0.4917 0.045 Uiso calc R 1 . .
    C C4 0.2356(10) 0.7262(8) 0.5605(6) 0.043(2) Uani d D 1 . .
    H H4A 0.1792 0.6900 0.6149 0.052 Uiso calc R 1 . .
    H H4B 0.3163 0.7477 0.5752 0.052 Uiso calc R 1 . .
    C C5 0.5516(8) 1.0024(8) 0.0280(5) 0.0295(18) Uani d . 1 . .
    H H5A 0.6482 0.9898 -0.0128 0.035 Uiso calc R 1 . .
    H H5B 0.5289 1.0861 0.0574 0.035 Uiso calc R 1 . .
    N N1 0.1738(7) 0.5215(6) 0.9442(4) 0.0327(16) Uani d D 1 . .
    H H1A 0.1043 0.5743 0.9849 0.049 Uiso d R 1 . .
    H H1B 0.2007 0.4508 0.9739 0.049 Uiso d R 1 . .
    H H1C 0.1358 0.4996 0.9021 0.049 Uiso d R 1 . .
    N N2 0.1935(7) 0.8119(6) 0.9175(4) 0.0313(15) Uani d D 1 . .
    H H2C 0.1776 0.8842 0.8863 0.047 Uiso d R 1 . .
    H H2D 0.2396 0.8257 0.9571 0.047 Uiso d R 1 . .
    H H2E 0.1062 0.7999 0.9507 0.047 Uiso d R 1 . .
    N N3 0.1786(7) 0.5569(6) 0.4790(4) 0.0309(15) Uani d . 1 . .
    H H3C 0.1472 0.5167 0.5312 0.046 Uiso d R 1 . .
    H H3D 0.1649 0.5203 0.4333 0.046 Uiso d R 1 . .
    N N4 0.1468(7) 0.8455(6) 0.5355(4) 0.0327(16) Uani d . 1 . .
    H H4C 0.1986 0.8779 0.4852 0.049 Uiso d R 1 . .
    H H4D 0.1126 0.9056 0.5792 0.049 Uiso d R 1 . .
    H H4E 0.0741 0.8210 0.5231 0.049 Uiso d R 1 . .
    N N5 0.5426(7) 0.9020(6) 0.0988(4) 0.0319(15) Uani d . 1 . .
    H H5C 0.4558 0.9047 0.1371 0.048 Uiso d R 1 . .
    H H5D 0.6028 0.9086 0.1306 0.048 Uiso d R 1 . .
    H H5E 0.5721 0.8236 0.0713 0.048 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
    Mo1 O9 . 1.710(5) ?
    Mo1 O10 . 1.718(5) ?
    Mo1 O12 . 1.917(5) ?
    Mo1 O11 . 1.953(5) ?
    Mo1 O6 . 2.274(4) ?
    Mo1 O2 . 2.285(4) ?
    Mo2 O13 . 1.709(5) ?
    Mo2 O14 . 1.714(5) ?
    Mo2 O11 . 1.924(4) ?
    Mo2 O15 . 1.944(5) ?
    Mo2 O2 . 2.224(5) ?
    Mo2 O7 . 2.343(4) ?
    Mo3 O16 . 1.706(5) ?
    Mo3 O17 . 1.711(5) ?
    Mo3 O18 . 1.919(5) ?
    Mo3 O15 . 1.926(5) ?
    Mo3 O3 . 2.311(4) ?
    Mo3 O7 . 2.312(4) ?
    Mo4 O19 . 1.692(5) ?
    Mo4 O20 . 1.722(5) ?
    Mo4 O18 . 1.921(5) ?
    Mo4 O21 . 1.966(5) ?
    Mo4 O8 . 2.211(4) ?
    Mo4 O3 . 2.322(4) ?
    Mo5 O22 . 1.690(5) ?
    Mo5 O23 . 1.709(5) ?
    Mo5 O21 . 1.932(5) ?
    Mo5 O12 . 1.933(5) ?
    Mo5 O4 . 2.253(5) ?
    Mo5 O8 . 2.380(5) ?
    P1 O4 . 1.520(5) ?
    P1 O1 . 1.526(5) ?
    P1 O3 . 1.555(5) ?
    P1 O2 . 1.561(5) ?
    P2 O5 . 1.511(5) ?
    P2 O6 . 1.528(5) ?
    P2 O8 . 1.558(5) ?
    P2 O7 . 1.560(5) ?
    O1 H1F . 0.8500 ?
    O5 H5F . 0.8360 ?
    O24 H24A . 0.8641 ?
    O24 H24B . 0.8617 ?
    O25 H25A . 0.8451 ?
    O25 H25B . 0.8447 ?
    O26 H26A . 0.8443 ?
    O26 H26B . 0.8435 ?
    O27 H27A . 0.8680 ?
    O27 H27B . 0.8656 ?
    O28 H28A . 0.8421 ?
    O28 H28B . 0.8598 ?
    C1 N1 . 1.482(10) ?
    C1 C2 . 1.508(10) ?
    C1 H1D . 0.9700 ?
    C1 H1E . 0.9700 ?
    C2 N2 . 1.502(10) ?
    C2 H2A . 0.9700 ?
    C2 H2B . 0.9700 ?
    C3 N3 . 1.481(10) ?
    C3 C4 . 1.512(10) ?
    C3 H3A . 0.9700 ?
    C3 H3B . 0.9700 ?
    C4 N4 . 1.494(10) ?
    C4 H4A . 0.9700 ?
    C4 H4B . 0.9700 ?
    C5 N5 . 1.481(9) ?
    C5 C5 2_675 1.525(14) ?
    C5 H5A . 0.9700 ?
    C5 H5B . 0.9700 ?
    N1 H1A . 0.8953 ?
    N1 H1B . 0.8934 ?
    N1 H1C . 0.8952 ?
    N2 H2C . 0.8970 ?
    N2 H2D . 0.8910 ?
    N2 H2E . 0.9044 ?
    N3 H3C . 0.8896 ?
    N3 H3D . 0.8689 ?
    N4 H4C . 0.8901 ?
    N4 H4D . 0.8854 ?
    N4 H4E . 0.8918 ?
    N5 H5C . 0.8890 ?
    N5 H5D . 0.8888 ?
    N5 H5E . 0.9043 ?
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
    O9 Mo1 O10 . . 102.4(2) ?
    O9 Mo1 O12 . . 100.1(2) ?
    O10 Mo1 O12 . . 102.6(2) ?
    O9 Mo1 O11 . . 100.8(2) ?
    O10 Mo1 O11 . . 96.4(2) ?
    O12 Mo1 O11 . . 147.8(2) ?
    O9 Mo1 O6 . . 173.2(2) ?
    O10 Mo1 O6 . . 84.3(2) ?
    O12 Mo1 O6 . . 79.31(19) ?
    O11 Mo1 O6 . . 77.05(18) ?
    O9 Mo1 O2 . . 85.7(2) ?
    O10 Mo1 O2 . . 166.4(2) ?
    O12 Mo1 O2 . . 86.43(18) ?
    O11 Mo1 O2 . . 71.10(17) ?
    O6 Mo1 O2 . . 87.45(16) ?
    O13 Mo2 O14 . . 104.5(3) ?
    O13 Mo2 O11 . . 100.0(2) ?
    O14 Mo2 O11 . . 101.2(2) ?
    O13 Mo2 O15 . . 94.9(2) ?
    O14 Mo2 O15 . . 98.7(2) ?
    O11 Mo2 O15 . . 151.31(19) ?
    O13 Mo2 O2 . . 95.4(2) ?
    O14 Mo2 O2 . . 160.0(2) ?
    O11 Mo2 O2 . . 73.01(18) ?
    O15 Mo2 O2 . . 81.31(18) ?
    O13 Mo2 O7 . . 162.8(2) ?
    O14 Mo2 O7 . . 89.0(2) ?
    O11 Mo2 O7 . . 87.47(17) ?
    O15 Mo2 O7 . . 72.28(17) ?
    O2 Mo2 O7 . . 71.84(16) ?
    O16 Mo3 O17 . . 104.8(2) ?
    O16 Mo3 O18 . . 98.2(2) ?
    O17 Mo3 O18 . . 103.4(2) ?
    O16 Mo3 O15 . . 102.4(2) ?
    O17 Mo3 O15 . . 96.2(2) ?
    O18 Mo3 O15 . . 146.9(2) ?
    O16 Mo3 O3 . . 166.0(2) ?
    O17 Mo3 O3 . . 88.1(2) ?
    O18 Mo3 O3 . . 73.27(17) ?
    O15 Mo3 O3 . . 81.00(18) ?
    O16 Mo3 O7 . . 87.5(2) ?
    O17 Mo3 O7 . . 165.5(2) ?
    O18 Mo3 O7 . . 82.00(17) ?
    O15 Mo3 O7 . . 73.31(17) ?
    O3 Mo3 O7 . . 80.46(15) ?
    O19 Mo4 O20 . . 104.5(3) ?
    O19 Mo4 O18 . . 100.8(2) ?
    O20 Mo4 O18 . . 99.1(2) ?
    O19 Mo4 O21 . . 96.6(2) ?
    O20 Mo4 O21 . . 95.7(2) ?
    O18 Mo4 O21 . . 153.52(19) ?
    O19 Mo4 O8 . . 158.6(2) ?
    O20 Mo4 O8 . . 95.8(2) ?
    O18 Mo4 O8 . . 82.59(18) ?
    O21 Mo4 O8 . . 74.17(18) ?
    O19 Mo4 O3 . . 88.0(2) ?
    O20 Mo4 O3 . . 166.4(2) ?
    O18 Mo4 O3 . . 72.96(17) ?
    O21 Mo4 O3 . . 87.89(17) ?
    O8 Mo4 O3 . . 72.61(16) ?
    O22 Mo5 O23 . . 103.1(3) ?
    O22 Mo5 O21 . . 100.0(2) ?
    O23 Mo5 O21 . . 99.9(2) ?
    O22 Mo5 O12 . . 101.7(2) ?
    O23 Mo5 O12 . . 99.6(2) ?
    O21 Mo5 O12 . . 146.5(2) ?
    O22 Mo5 O4 . . 85.1(2) ?
    O23 Mo5 O4 . . 171.9(2) ?
    O21 Mo5 O4 . . 78.16(18) ?
    O12 Mo5 O4 . . 78.63(18) ?
    O22 Mo5 O8 . . 168.7(2) ?
    O23 Mo5 O8 . . 85.4(2) ?
    O21 Mo5 O8 . . 70.87(18) ?
    O12 Mo5 O8 . . 83.95(18) ?
    O4 Mo5 O8 . . 86.50(16) ?
    O4 P1 O1 . . 111.1(3) ?
    O4 P1 O3 . . 109.7(3) ?
    O1 P1 O3 . . 110.0(3) ?
    O4 P1 O2 . . 106.7(3) ?
    O1 P1 O2 . . 109.5(3) ?
    O3 P1 O2 . . 109.8(3) ?
    O5 P2 O6 . . 112.9(3) ?
    O5 P2 O8 . . 110.5(3) ?
    O6 P2 O8 . . 106.4(3) ?
    O5 P2 O7 . . 108.4(3) ?
    O6 P2 O7 . . 109.2(3) ?
    O8 P2 O7 . . 109.4(3) ?
    P1 O1 H1F . . 110.0 ?
    P1 O2 Mo2 . . 129.3(3) ?
    P1 O2 Mo1 . . 133.9(3) ?
    Mo2 O2 Mo1 . . 96.06(16) ?
    P1 O3 Mo3 . . 125.3(2) ?
    P1 O3 Mo4 . . 130.2(3) ?
    Mo3 O3 Mo4 . . 92.41(15) ?
    P1 O4 Mo5 . . 123.0(3) ?
    P2 O5 H5F . . 112.6 ?
    P2 O6 Mo1 . . 121.6(2) ?
    P2 O7 Mo3 . . 125.2(3) ?
    P2 O7 Mo2 . . 130.2(3) ?
    Mo3 O7 Mo2 . . 92.82(15) ?
    P2 O8 Mo4 . . 129.5(3) ?
    P2 O8 Mo5 . . 134.9(3) ?
    Mo4 O8 Mo5 . . 94.63(16) ?
    Mo2 O11 Mo1 . . 119.7(2) ?
    Mo1 O12 Mo5 . . 146.5(3) ?
    Mo3 O15 Mo2 . . 121.2(2) ?
    Mo3 O18 Mo4 . . 121.2(2) ?
    Mo5 O21 Mo4 . . 120.0(2) ?
    H24A O24 H24B . . 105.7 ?
    H25A O25 H25B . . 108.9 ?
    H26A O26 H26B . . 109.4 ?
    H27A O27 H27B . . 105.9 ?
    H28A O28 H28B . . 106.4 ?
    N1 C1 C2 . . 112.4(6) ?
    N1 C1 H1D . . 109.1 ?
    C2 C1 H1D . . 109.1 ?
    N1 C1 H1E . . 109.1 ?
    C2 C1 H1E . . 109.1 ?
    H1D C1 H1E . . 107.9 ?
    N2 C2 C1 . . 113.0(6) ?
    N2 C2 H2A . . 109.0 ?
    C1 C2 H2A . . 109.0 ?
    N2 C2 H2B . . 109.0 ?
    C1 C2 H2B . . 109.0 ?
    H2A C2 H2B . . 107.8 ?
    N3 C3 C4 . . 112.0(7) ?
    N3 C3 H3A . . 109.2 ?
    C4 C3 H3A . . 109.2 ?
    N3 C3 H3B . . 109.2 ?
    C4 C3 H3B . . 109.2 ?
    H3A C3 H3B . . 107.9 ?
    N4 C4 C3 . . 111.8(6) ?
    N4 C4 H4A . . 109.3 ?
    C3 C4 H4A . . 109.3 ?
    N4 C4 H4B . . 109.3 ?
    C3 C4 H4B . . 109.3 ?
    H4A C4 H4B . . 107.9 ?
    N5 C5 C5 . 2_675 110.7(8) ?
    N5 C5 H5A . . 109.5 ?
    C5 C5 H5A 2_675 . 109.5 ?
    N5 C5 H5B . . 109.5 ?
    C5 C5 H5B 2_675 . 109.5 ?
    H5A C5 H5B . . 108.1 ?
    C1 N1 H1A . . 113.3 ?
    C1 N1 H1B . . 107.2 ?
    H1A N1 H1B . . 107.8 ?
    C1 N1 H1C . . 113.0 ?
    H1A N1 H1C . . 107.1 ?
    H1B N1 H1C . . 108.2 ?
    C2 N2 H2C . . 111.4 ?
    C2 N2 H2D . . 113.7 ?
    H2C N2 H2D . . 108.1 ?
    C2 N2 H2E . . 110.2 ?
    H2C N2 H2E . . 105.6 ?
    H2D N2 H2E . . 107.4 ?
    C3 N3 H3C . . 112.0 ?
    C3 N3 H3D . . 131.5 ?
    H3C N3 H3D . . 110.5 ?
    C4 N4 H4C . . 109.0 ?
    C4 N4 H4D . . 114.6 ?
    H4C N4 H4D . . 108.8 ?
    C4 N4 H4E . . 105.9 ?
    H4C N4 H4E . . 109.6 ?
    H4D N4 H4E . . 109.0 ?
    C5 N5 H5C . . 114.8 ?
    C5 N5 H5D . . 108.2 ?
    H5C N5 H5D . . 109.7 ?
    C5 N5 H5E . . 109.6 ?
    H5C N5 H5E . . 107.2 ?
    H5D N5 H5E . . 107.0 ?
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
    N5 H5E O20 1_455 0.90 2.66 3.075(8) 109.0
    N5 H5E O28 2_665 0.90 2.01 2.796(9) 144.2
    N5 H5D O10 . 0.89 2.45 3.069(8) 126.9
    N5 H5D O6 . 0.89 2.01 2.846(8) 155.6
    N5 H5C O21 1_455 0.89 2.17 3.046(8) 169.7
    N4 H4E O1 1_455 0.89 1.93 2.806(8) 166.7
    N4 H4D O12 2_676 0.89 2.65 3.357(8) 137.4
    N4 H4D O22 2_676 0.89 2.60 3.099(8) 116.2
    N4 H4D O4 2_676 0.89 2.08 2.907(8) 155.3
    N4 H4C O25 . 0.89 1.92 2.803(8) 171.3
    N3 H3D O17 1_455 0.87 2.25 3.117(8) 176.3
    N3 H3C O15 2_666 0.89 1.87 2.732(7) 162.1
    N2 H2E O23 2_676 0.90 2.56 3.030(8) 112.8
    N2 H2E O5 1_456 0.90 1.84 2.699(8) 158.6
    N2 H2D O20 1_456 0.89 2.14 2.924(8) 145.8
    N2 H2C O6 2_676 0.90 2.49 3.310(8) 151.4
    N2 H2C O12 2_676 0.90 2.35 3.084(8) 138.6
    N1 H1C O7 2_666 0.90 2.46 3.259(8) 148.8
    N1 H1C O16 2_666 0.90 2.28 3.011(8) 138.3
    N1 H1B O28 1_556 0.89 1.93 2.819(8) 172.9
    N1 H1A O5 1_456 0.90 1.92 2.772(8) 159.1
    O28 H28B O23 1_445 0.86 2.39 3.157(8) 149.2
    O28 H28A O27 . 0.84 2.31 2.740(10) 111.8
    O27 H27B O17 1_455 0.87 2.46 2.912(10) 112.9
    O27 H27B O22 1_445 0.87 2.11 2.916(10) 154.6
    O27 H27A O10 1_545 0.87 2.03 2.875(9) 162.6
    O26 H26B O19 1_455 0.84 2.40 3.064(8) 135.8
    O26 H26B O17 1_455 0.84 2.36 2.874(8) 119.8
    O26 H26A O14 . 0.84 2.11 2.858(8) 147.9
    O25 H25B O21 1_455 0.84 1.97 2.808(7) 169.8
    O25 H25B O4 1_455 0.84 2.57 3.083(7) 120.2
    O25 H25A O11 . 0.85 1.93 2.745(7) 163.1
    O24 H24B O25 1_545 0.86 2.08 2.868(9) 151.1
    O24 H24A O1 2_666 0.86 1.97 2.795(8) 158.6
    O5 H5F O28 2_665 0.84 2.02 2.845(8) 168.1
    O1 H1F N3 1_655 0.85 2.18 2.766(8) 125.9
