##############################################################################
###                                                                        ###
###        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 2.1.    #
#                                                                            #
# 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/  #
# cif/home.html                                                              #
#                                                                            #
#            Copyright International Union of Crystallography                #
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##############################################################################
                                             
data_global
_audit_creation_method     'form.cif (version 2.0)'
_journal_data_validation_number     ?
_journal_date_recd_electronic     2001-06-29
_journal_date_accepted     2001-07-05
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2001
_journal_volume     57
_journal_issue      8
_journal_page_first     m378
_journal_page_last     m379
_journal_paper_category     EM
_publ_contact_author_name     'Dr A.J. Blake'
_publ_contact_author_address
;
  School of Chemistry
  The University of Nottingham
  University Park
  Nottingham  NG7 2RD
  England
;
_publ_contact_author_email     a.j.blake@nottingham.ac.uk
_publ_contact_author_fax     '0115 951 3563'
_publ_contact_author_phone     '0115 951 3488'
_publ_section_title
;
  2,2'-Bipyridine(octacarbonyl)dirhenium(Re---Re)
;
loop_
    _publ_author_name
    _publ_author_address
    'Blake, Alexander J.'
; School of Chemistry
  The University of Nottingham
  University Park
  Nottingham  NG7 2RD
  England  UK
;
    'George, Michael W.'
; School of Chemistry
  The University of Nottingham
  University Park
  Nottingham  NG7 2RD
  England  UK
;
    'Little, Emma L.'
; School of Chemistry
  The University of Nottingham
  University Park
  Nottingham  NG7 2RD
  England  UK
;
    'Turner, James J.'
; School of Chemistry
  The University of Nottingham
  University Park
  Nottingham  NG7 2RD
  England  UK
;
data_I
_audit_creation_method     SHELXL-97
_chemical_name_systematic
;
 ?
;
_chemical_name_common     ?
_chemical_formula_moiety     'C18 H8 N2 O8 Re2'
_chemical_formula_sum     'C18 H8 N2 O8 Re2'
_chemical_formula_weight     752.66
_chemical_melting_point     ?
_symmetry_cell_setting     triclinic
_symmetry_space_group_name_H-M     P-1
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x, -y, -z'
_cell_length_a     10.155(5)
_cell_length_b     13.586(5)
_cell_length_c     14.972(8)
_cell_angle_alpha     80.55(5)
_cell_angle_beta     73.07(4)
_cell_angle_gamma     85.40(5)
_cell_volume     1948.1(16)
_cell_formula_units_Z     4
_cell_measurement_reflns_used     43
_cell_measurement_theta_min     12.5
_cell_measurement_theta_max     14.5
_cell_measurement_temperature     220(2)
_exptl_crystal_description     plate
_exptl_crystal_colour     red
_exptl_crystal_size_max      .65
_exptl_crystal_size_mid      .24
_exptl_crystal_size_min      .094
_exptl_crystal_density_diffrn     2.566
_exptl_crystal_density_meas     'not measured'
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     1376
_exptl_absorpt_coefficient_mu     12.465
_exptl_absorpt_correction_type     refdelf
_exptl_absorpt_process_details     '(DIFABS; Walker & Stuart, 1983)'
_exptl_absorpt_correction_T_min      .049
_exptl_absorpt_correction_T_max      .310
_exptl_special_details
;
 The crystal used for data collection was unsuitable for absorption
 correction using ψ scans (μ*tmid ≃ 3.0) and it was not possible
 to index and measure crystal faces with sufficient accuracy for a
 numerical correction. Furthermore, the low crystal symmetry meant that
 it was not possible to optimise the crystal dimensions and shape using
 HABITUS. Relectantly therefore we resorted to the use of DIFABS to
 apply empirical corrections. The final residual electron density
 extrema lie near the Re atoms.
;
_diffrn_ambient_temperature     220(2)
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength      .71073
_diffrn_radiation_source     'fine-focus sealed tube'
_diffrn_radiation_monochromator     graphite
_diffrn_measurement_device_type     'Stoe Stadi-4 four-circle'
_diffrn_measurement_method     ω/θ
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     6852
_diffrn_reflns_av_R_equivalents      .0
_diffrn_reflns_av_sigmaI/netI      .029
_diffrn_reflns_theta_min     2.55
_diffrn_reflns_theta_max     25.03
_diffrn_reflns_theta_full     25.03
_diffrn_measured_fraction_theta_max      .996
_diffrn_measured_fraction_theta_full      .996
_diffrn_reflns_limit_h_min     -11
_diffrn_reflns_limit_h_max     12
_diffrn_reflns_limit_k_min     -15
_diffrn_reflns_limit_k_max     16
_diffrn_reflns_limit_l_min     0
_diffrn_reflns_limit_l_max     17
_diffrn_standards_number     3
_diffrn_standards_interval_count     ?
_diffrn_standards_interval_time     60
_diffrn_standards_decay_%     'random variation +-3.2'
_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 > 2sigma(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     6852
_reflns_number_gt     5903
_reflns_threshold_expression     I>2σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all      .056
_refine_ls_R_factor_gt      .046
_refine_ls_wR_factor_ref      .136
_refine_ls_goodness_of_fit_ref     1.11
_refine_ls_restrained_S_all     1.11
_refine_ls_number_reflns     6852
_refine_ls_number_parameters     542
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
           'calc w=1/[σ²(Fo²)+(0.082P)²+20.60P] where P=(Fo²+2Fc²)/3'
_refine_ls_shift/su_max      .03
_refine_ls_shift/su_mean      .001
_refine_diff_density_max     2.74
_refine_diff_density_min     -2.72
_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'  .0033  .0016
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'H' 'H'  .0000  .0000
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'N' 'N'  .0061  .0033
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'O' 'O'  .0106  .0060
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Re' 'Re' -1.0185 7.2310
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection     'STADI4 (Stoe & Cie, 1997)'
_computing_cell_refinement     STADI4
_computing_data_reduction     'X-RED (Stoe & Cie, 1997)'
_computing_structure_solution     'SHELXS97 (Sheldrick, 1990)'
_computing_structure_refinement     'SHELXL97 (Sheldrick, 1997)'
_computing_molecular_graphics     'PLATON (Spek, 2001)'
_computing_publication_material     'SHELXL-97 and PLATON'
loop_
    _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
    _atom_site_type_symbol
    Re1  .84644(5)  .72901(4)  .96382(3)  .02809(16) Uani d . 1 . . Re
    Re2  .53124(5)  .71670(4) 1.04708(3)  .02721(16) Uani d . 1 . . Re
    N1  .8327(9)  .8829(8)  .9839(7)  .027(2) Uani d . 1 . . N
    C2  .8416(11)  .9037(9) 1.0678(9)  .025(2) Uani d . 1 . . C
    C3  .8340(13) 1.0011(10) 1.0871(10)  .033(3) Uani d . 1 . . C
    H3  .8412 1.0137 1.1460  .040 Uiso calc R 1 . . H
    C4  .8156(13) 1.0803(10) 1.0184(10)  .037(3) Uani d . 1 . . C
    H4  .8086 1.1473 1.0304  .044 Uiso calc R 1 . . H
    C5  .8080(14) 1.0593(11)  .9340(11)  .039(3) Uani d . 1 . . C
    H5  .7960 1.1118  .8863  .047 Uiso calc R 1 . . H
    C6  .8178(13)  .9611(10)  .9184(10)  .036(3) Uani d . 1 . . C
    H6  .8138  .9478  .8589  .043 Uiso calc R 1 . . H
    N1'  .8713(10)  .7265(8) 1.1042(8)  .031(2) Uani d . 1 . . N
    C2'  .8656(11)  .8163(10) 1.1358(9)  .026(3) Uani d . 1 . . C
    C3'  .8803(13)  .8219(11) 1.2224(10)  .036(3) Uani d . 1 . . C
    H3'  .8784  .8852 1.2420  .043 Uiso calc R 1 . . H
    C4'  .8979(13)  .7357(11) 1.2818(10)  .039(3) Uani d . 1 . . C
    H4'  .9027  .7382 1.3438  .047 Uiso calc R 1 . . H
    C5'  .9084(13)  .6463(11) 1.2482(10)  .040(3) Uani d . 1 . . C
    H5'  .9254  .5860 1.2859  .048 Uiso calc R 1 . . H
    C6'  .8942(12)  .6444(11) 1.1599(9)  .032(3) Uani d . 1 . . C
    H6'  .9010  .5819 1.1379  .039 Uiso calc R 1 . . H
    C11  .8510(14)  .5874(11)  .9642(11)  .040(3) Uani d . 1 . . C
    O11  .8537(12)  .5035(8)  .9648(10)  .062(3) Uani d . 1 . . O
    C12 1.0396(14)  .7294(11)  .9022(11)  .040(3) Uani d . 1 . . C
    O12 1.1545(10)  .7256(10)  .8604(8)  .058(3) Uani d . 1 . . O
    C13  .8117(13)  .7510(10)  .8432(8)  .034(3) Uani d . 1 . . C
    O13  .7885(11)  .7705(10)  .7713(8)  .057(3) Uani d . 1 . . O
    C21  .5504(16)  .6269(13)  .9519(11)  .046(4) Uani d . 1 . . C
    O21  .5626(13)  .5751(9)  .8970(8)  .059(3) Uani d . 1 . . O
    C22  .5279(14)  .8338(12)  .9513(11)  .041(3) Uani d . 1 . . C
    O22  .5298(11)  .9025(10)  .8966(8)  .057(3) Uani d . 1 . . O
    C23  .5370(13)  .8117(11) 1.1342(10)  .036(3) Uani d . 1 . . C
    O23  .5442(11)  .8660(8) 1.1815(8)  .050(3) Uani d . 1 . . O
    C24  .3340(14)  .6995(11) 1.0942(10)  .035(3) Uani d . 1 . . C
    O24  .2186(10)  .6913(9) 1.1181(8)  .051(3) Uani d . 1 . . O
    C25  .5882(14)  .6058(10) 1.1340(9)  .034(3) Uani d . 1 . . C
    O25  .6218(11)  .5440(8) 1.1841(8)  .049(3) Uani d . 1 . . O
    Re3  .24594(5)  .65085(4) .41160(3)  .02698(16) Uani d . 1 . . Re
    Re4  .19284(5)  .79814(4) .55540(3)  .02662(16) Uani d . 1 . . Re
    N1*  .3415(10)  .8972(8) .4548(7)  .027(2) Uani d . 1 . . N
    C2*  .4734(12)  .8846(9) .4545(8)  .026(3) Uani d . 1 . . C
    C3*  .5790(14)  .9424(10) .3939(10)  .038(3) Uani d . 1 . . C
    H3*  .6719  .9298 .3953  .046 Uiso calc R 1 . . H
    C4*  .5425(15) 1.0203(11) .3307(10)  .042(3) Uani d . 1 . . C
    H4*  .6108 1.0623 .2878  .050 Uiso calc R 1 . . H
    C5*  .4070(17) 1.0352(11) .3314(10)  .045(4) Uani d . 1 . . C
    H5*  .3809 1.0875 .2887  .054 Uiso calc R 1 . . H
    C6*  .3084(14)  .9737(10) .3944(9)  .035(3) Uani d . 1 . . C
    H6*  .2146  .9857 .3951  .042 Uiso calc R 1 . . H
    N1*'  .3884(10)  .7521(8) .5832(8)  .031(2) Uani d . 1 . . N
    C2*'  .5009(12)  .8041(10) .5261(9)  .029(3) Uani d . 1 . . C
    C3*'  .6301(13)  .7795(13) .5408(10)  .042(4) Uani d . 1 . . C
    H3*B  .7096  .8118 .4996  .051 Uiso calc R 1 . . H
    C4*'  .6417(14)  .7090(11) .6143(10)  .039(3) Uani d . 1 . . C
    H4*B  .7291  .6933 .6252  .046 Uiso calc R 1 . . H
    C5*'  .5284(15)  .6611(14) .6722(11)  .053(4) Uani d . 1 . . C
    H5*B  .5356  .6121 .7238  .064 Uiso calc R 1 . . H
    C6*'  .4051(14)  .6847(12) .6547(10)  .041(3) Uani d . 1 . . C
    H6*B  .3263  .6514 .6956  .049 Uiso calc R 1 . . H
    C31  .2893(14)  .5514(11) .5137(10)  .038(3) Uani d . 1 . . C
    O31  .3186(13)  .4977(10) .5707(10)  .069(4) Uani d . 1 . . O
    C32  .0478(13)  .6280(10) .4698(10)  .034(3) Uani d . 1 . . C
    O32  -.0672(10)  .6144(8) .5018(8)  .048(3) Uani d . 1 . . O
    C33  .4430(13)  .6847(9) .3690(10)  .031(3) Uani d . 1 . . C
    O33  .5563(10)  .7035(8) .3468(7)  .042(2) Uani d . 1 . . O
    C34  .2555(14)  .5606(11) .3224(10)  .039(3) Uani d . 1 . . C
    O34  .2543(12)  .5077(8) .2698(7)  .049(3) Uani d . 1 . . O
    C35  .2082(13)  .7750(10) .3314(9)  .034(3) Uani d . 1 . . C
    O35  .1877(11)  .8473(8) .2866(8)  .047(2) Uani d . 1 . . O
    C41  .0901(13)  .6923(11) .6436(9)  .034(3) Uani d . 1 . . C
    O41  .0339(11)  .6278(9) .6957(8)  .053(3) Uani d . 1 . . O
    C42  .1400(13)  .8848(11) .6500(10)  .036(3) Uani d . 1 . . C
    O42  .1009(12)  .9358(10) .7055(8)  .058(3) Uani d . 1 . . O
    C43  .0336(14)  .8477(10) .5133(10)  .035(3) Uani d . 1 . . C
    O43  -.0613(10)  .8751(9) .4896(9)  .054(3) Uani d . 1 . . O
_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
    Re1 Re2 . 3.0856(18) ?
    Re1 N1 . 2.149(10) ?
    Re1 N1' . 2.184(11) ?
    Re1 C11 . 1.920(15) ?
    Re1 C12 . 1.909(14) ?
    Re1 C13 . 1.910(13) ?
    Re2 C21 . 1.982(17) ?
    Re2 C22 . 1.964(16) ?
    Re2 C23 . 1.995(14) ?
    Re2 C24 . 1.940(13) ?
    Re2 C25 . 1.988(15) ?
    N1 C2 . 1.360(16) ?
    N1 C6 . 1.353(17) ?
    C2 C3 . 1.391(17) ?
    C2 C2' . 1.486(17) ?
    C3 C4 . 1.40(2) ?
    C4 C5 . 1.37(2) ?
    C5 C6 . 1.38(2) ?
    N1' C2' . 1.371(16) ?
    N1' C6' . 1.326(17) ?
    C2' C3' . 1.363(17) ?
    C3' C4' . 1.38(2) ?
    C4' C5' . 1.37(2) ?
    C5' C6' . 1.377(19) ?
    C11 O11 . 1.136(17) ?
    C12 O12 . 1.154(17) ?
    C13 O13 . 1.154(16) ?
    C21 O21 . 1.142(19) ?
    C22 O22 . 1.134(18) ?
    C23 O23 . 1.123(17) ?
    C24 O24 . 1.130(16) ?
    C25 O25 . 1.131(17) ?
    Re3 Re4 . 3.0816(18) ?
    Re3 C31 . 1.994(14) ?
    Re3 C32 . 1.973(14) ?
    Re3 C33 . 1.982(13) ?
    Re3 C34 . 1.934(16) ?
    Re3 C35 . 1.984(15) ?
    Re4 N1* . 2.166(11) ?
    Re4 N1*' . 2.170(10) ?
    Re4 C41 . 1.927(14) ?
    Re4 C42 . 1.918(14) ?
    Re4 C43 . 1.935(14) ?
    N1* C2* . 1.336(15) ?
    N1* C6* . 1.351(17) ?
    C2* C3* . 1.387(18) ?
    C2* C2*' . 1.470(19) ?
    C3* C4* . 1.40(2) ?
    C4* C5* . 1.37(2) ?
    C5* C6* . 1.38(2) ?
    N1*' C2*' . 1.378(16) ?
    N1*' C6*' . 1.330(19) ?
    C2*' C3*' . 1.398(17) ?
    C3*' C4*' . 1.36(2) ?
    C4*' C5*' . 1.36(2) ?
    C5*' C6*' . 1.36(2) ?
    C31 O31 . 1.121(17) ?
    C32 O32 . 1.144(16) ?
    C33 O33 . 1.139(16) ?
    C34 O34 . 1.153(18) ?
    C35 O35 . 1.136(17) ?
    C41 O41 . 1.140(17) ?
    C42 O42 . 1.133(17) ?
    C43 O43 . 1.136(16) ?
    C3 H3 .  .95 ?
    C4 H4 .  .95 ?
    C5 H5 .  .95 ?
    C6 H6 .  .95 ?
    C3' H3' .  .95 ?
    C4' H4' .  .95 ?
    C5' H5' .  .95 ?
    C6' H6' .  .95 ?
    C3* H3* .  .95 ?
    C4* H4* .  .95 ?
    C5* H5* .  .95 ?
    C6* H6* .  .95 ?
    C3*' H3*B .  .95 ?
    C4*' H4*B .  .95 ?
    C5*' H5*B .  .95 ?
    C6*' H6*B .  .95 ?
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
    C13 Re1 C12 . . 89.4(6) ?
    C13 Re1 C11 . . 90.0(6) ?
    C12 Re1 C11 . . 89.1(6) ?
    C13 Re1 N1 . . 96.9(5) ?
    C12 Re1 N1 . . 94.5(5) ?
    C11 Re1 N1 . . 172.2(5) ?
    C13 Re1 N1' . . 171.3(5) ?
    C12 Re1 N1' . . 94.3(5) ?
    C11 Re1 N1' . . 98.0(5) ?
    N1 Re1 N1' . . 74.9(4) ?
    C13 Re1 Re2 . . 85.9(4) ?
    C12 Re1 Re2 . . 174.0(4) ?
    C11 Re1 Re2 . . 87.2(4) ?
    N1 Re1 Re2 . . 89.8(2) ?
    N1' Re1 Re2 . . 90.9(3) ?
    C24 Re2 C22 . . 97.6(6) ?
    C24 Re2 C21 . . 92.0(6) ?
    C22 Re2 C21 . . 90.4(6) ?
    C24 Re2 C25 . . 97.8(6) ?
    C22 Re2 C25 . . 164.5(5) ?
    C21 Re2 C25 . . 90.9(6) ?
    C24 Re2 C23 . . 95.3(5) ?
    C22 Re2 C23 . . 87.3(6) ?
    C21 Re2 C23 . . 172.6(6) ?
    C25 Re2 C23 . . 89.5(5) ?
    C24 Re2 Re1 . . 175.3(4) ?
    C22 Re2 Re1 . . 83.7(4) ?
    C21 Re2 Re1 . . 83.5(4) ?
    C25 Re2 Re1 . . 81.1(4) ?
    C23 Re2 Re1 . . 89.3(4) ?
    C6 N1 C2 . . 117.5(11) ?
    C6 N1 Re1 . . 124.6(9) ?
    C2 N1 Re1 . . 117.9(8) ?
    N1 C2 C3 . . 122.0(12) ?
    N1 C2 C2' . . 115.8(10) ?
    C3 C2 C2' . . 122.1(11) ?
    C2 C3 C4 . . 119.1(12) ?
    C5 C4 C3 . . 118.8(13) ?
    C4 C5 C6 . . 119.5(14) ?
    N1 C6 C5 . . 123.1(13) ?
    C6' N1' C2' . . 118.1(11) ?
    C6' N1' Re1 . . 124.5(9) ?
    C2' N1' Re1 . . 117.4(8) ?
    N1' C2' C3' . . 121.5(12) ?
    N1' C2' C2 . . 113.9(10) ?
    C3' C2' C2 . . 124.7(12) ?
    C2' C3' C4' . . 120.2(13) ?
    C5' C4' C3' . . 117.8(13) ?
    C4' C5' C6' . . 119.9(13) ?
    N1' C6' C5' . . 122.4(13) ?
    O11 C11 Re1 . . 179.7(14) ?
    O12 C12 Re1 . . 175.1(12) ?
    O13 C13 Re1 . . 175.6(13) ?
    O21 C21 Re2 . . 179.5(14) ?
    O22 C22 Re2 . . 177.7(13) ?
    O23 C23 Re2 . . 177.9(12) ?
    O24 C24 Re2 . . 177.2(13) ?
    O25 C25 Re2 . . 178.7(11) ?
    C34 Re3 C32 . . 91.2(6) ?
    C34 Re3 C33 . . 97.2(5) ?
    C32 Re3 C33 . . 171.5(5) ?
    C34 Re3 C31 . . 97.9(6) ?
    C32 Re3 C31 . . 89.8(6) ?
    C33 Re3 C31 . . 87.8(5) ?
    C34 Re3 C35 . . 97.0(6) ?
    C32 Re3 C35 . . 92.2(5) ?
    C33 Re3 C35 . . 88.0(5) ?
    C31 Re3 C35 . . 164.9(6) ?
    C34 Re3 Re4 . . 173.0(4) ?
    C32 Re3 Re4 . . 82.4(4) ?
    C33 Re3 Re4 . . 89.3(3) ?
    C31 Re3 Re4 . . 85.0(4) ?
    C35 Re3 Re4 . . 80.5(4) ?
    C42 Re4 C41 . . 90.2(6) ?
    C42 Re4 C43 . . 89.2(6) ?
    C41 Re4 C43 . . 91.8(6) ?
    C42 Re4 N1*' . . 94.3(5) ?
    C41 Re4 N1*' . . 95.4(5) ?
    C43 Re4 N1*' . . 172.0(5) ?
    C42 Re4 N1* . . 95.4(5) ?
    C41 Re4 N1* . . 169.1(5) ?
    C43 Re4 N1* . . 97.6(5) ?
    N1*' Re4 N1* . . 74.9(4) ?
    C42 Re4 Re3 . . 173.8(4) ?
    C41 Re4 Re3 . . 85.1(4) ?
    C43 Re4 Re3 . . 87.0(4) ?
    N1*' Re4 Re3 . . 90.1(3) ?
    N1* Re4 Re3 . . 89.9(3) ?
    C2* N1* C6* . . 117.6(11) ?
    C2* N1* Re4 . . 118.4(8) ?
    C6* N1* Re4 . . 124.0(8) ?
    N1* C2* C3* . . 124.4(13) ?
    N1* C2* C2*' . . 114.8(10) ?
    C3* C2* C2*' . . 120.8(12) ?
    C2* C3* C4* . . 116.9(13) ?
    C5* C4* C3* . . 119.3(13) ?
    C4* C5* C6* . . 119.8(15) ?
    N1* C6* C5* . . 121.9(13) ?
    C6*' N1*' C2*' . . 118.6(11) ?
    C6*' N1*' Re4 . . 125.3(9) ?
    C2*' N1*' Re4 . . 115.9(8) ?
    N1*' C2*' C3*' . . 119.0(13) ?
    N1*' C2*' C2* . . 116.1(10) ?
    C3*' C2*' C2* . . 124.9(12) ?
    C4*' C3*' C2*' . . 119.8(14) ?
    C3*' C4*' C5*' . . 120.1(13) ?
    C6*' C5*' C4*' . . 118.7(15) ?
    N1*' C6*' C5*' . . 123.6(14) ?
    O31 C31 Re3 . . 177.0(13) ?
    O32 C32 Re3 . . 178.6(12) ?
    O33 C33 Re3 . . 178.3(12) ?
    O34 C34 Re3 . . 176.6(12) ?
    O35 C35 Re3 . . 178.5(11) ?
    O41 C41 Re4 . . 177.4(13) ?
    O42 C42 Re4 . . 175.9(12) ?
    O43 C43 Re4 . . 178.6(13) ?
    C2 C3 H3 . . 120.4 ?
    C4 C3 H3 . . 120.5 ?
    C5 C4 H4 . . 120.6 ?
    C3 C4 H4 . . 120.6 ?
    C4 C5 H5 . . 120.3 ?
    C6 C5 H5 . . 120.3 ?
    N1 C6 H6 . . 118.4 ?
    C5 C6 H6 . . 118.4 ?
    C2' C3' H3' . . 119.9 ?
    C4' C3' H3' . . 119.9 ?
    C5' C4' H4' . . 121.1 ?
    C3' C4' H4' . . 121.1 ?
    C4' C5' H5' . . 120.1 ?
    C6' C5' H5' . . 120.1 ?
    N1' C6' H6' . . 118.8 ?
    C5' C6' H6' . . 118.8 ?
    C2* C3* H3* . . 121.5 ?
    C4* C3* H3* . . 121.5 ?
    C5* C4* H4* . . 120.4 ?
    C3* C4* H4* . . 120.4 ?
    C4* C5* H5* . . 120.1 ?
    C6* C5* H5* . . 120.1 ?
    N1* C6* H6* . . 119.0 ?
    C5* C6* H6* . . 119.0 ?
    C4*' C3*' H3*B . . 120.1 ?
    C2*' C3*' H3*B . . 120.1 ?
    C3*' C4*' H4*B . . 119.9 ?
    C5*' C4*' H4*B . . 119.9 ?
    C6*' C5*' H5*B . . 120.7 ?
    C4*' C5*' H5*B . . 120.7 ?
    N1*' C6*' H6*B . . 118.2 ?
    C5*' C6*' H6*B . . 118.2 ?
