#------------------------------------------------------------------------------
#$Date: 2016-03-23 22:51:08 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179493 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/90/4339067.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4339067
loop_
_publ_author_name
'Wei, Meilin'
'He, Cheng'
'Sun, Qiaozhen'
'Meng, Qingjin'
'Duan, Chunying'
_publ_section_title
;
 Zeolite ionic crystals assembled through direct incorporation of
 polyoxometalate clusters within 3D metal-organic frameworks.
;
_journal_issue                   15
_journal_name_full               'Inorganic chemistry'
_journal_page_first              5957
_journal_page_last               5966
_journal_paper_doi               10.1021/ic070274o
_journal_volume                  46
_journal_year                    2007
_chemical_formula_sum            'C42 H45 Gd Mo12 N9 O53 P'
_chemical_formula_weight         2863.37
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                92.186(6)
_cell_angle_beta                 97.799(6)
_cell_angle_gamma                98.882(7)
_cell_formula_units_Z            2
_cell_length_a                   11.736(4)
_cell_length_b                   17.472(7)
_cell_length_c                   18.857(7)
_cell_measurement_reflns_used    981
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      21.10
_cell_measurement_theta_min      2.40
_cell_volume                     3778(2)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.945
_diffrn_measured_fraction_theta_max 0.945
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0787
_diffrn_reflns_av_sigmaI/netI    0.0846
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            22355
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         1.95
_exptl_absorpt_coefficient_mu    2.918
_exptl_absorpt_correction_T_max  0.5633
_exptl_absorpt_correction_T_min  0.4207
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    2.517
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2734
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.20
_refine_diff_density_max         2.911
_refine_diff_density_min         -1.295
_refine_diff_density_rms         0.217
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1061
_refine_ls_number_reflns         16416
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.032
_refine_ls_R_factor_all          0.0882
_refine_ls_R_factor_gt           0.0613
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0700P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1441
_refine_ls_wR_factor_ref         0.1543
_reflns_number_gt                11622
_reflns_number_total             16416
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic070274osi20070211_065505.cif
_cod_data_source_block           sad
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/automatic-downloads/retrospective/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_sg_symbol_H-M      'P-1   '
_cod_database_code               4339067
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
P1 P 0.08540(16) 0.67839(11) 0.75895(9) 0.0254(4) Uani 1 1 d .
Mo1 Mo 0.03567(7) 0.52587(5) 0.62171(4) 0.0417(2) Uani 1 1 d .
Mo2 Mo 0.27452(7) 0.53937(5) 0.77186(4) 0.0426(2) Uani 1 1 d .
Mo3 Mo -0.03062(7) 0.48970(4) 0.80464(4) 0.0428(2) Uani 1 1 d .
Mo4 Mo -0.13415(6) 0.66691(5) 0.60895(4) 0.03841(19) Uani 1 1 d .
Mo5 Mo 0.15020(7) 0.70736(5) 0.58333(4) 0.03875(18) Uani 1 1 d .
Mo6 Mo 0.38639(6) 0.72290(5) 0.73743(4) 0.0434(2) Uani 1 1 d .
Mo7 Mo 0.31518(6) 0.68425(5) 0.90186(4) 0.03939(19) Uani 1 1 d .
Mo8 Mo 0.00815(6) 0.63901(5) 0.93067(4) 0.03788(18) Uani 1 1 d .
Mo9 Mo -0.20684(6) 0.62769(5) 0.78999(4) 0.03455(17) Uani 1 1 d .
Mo10 Mo -0.09140(7) 0.82678(4) 0.74910(5) 0.0440(2) Uani 1 1 d .
Mo11 Mo 0.19016(7) 0.87010(5) 0.71896(4) 0.04264(19) Uani 1 1 d .
Mo12 Mo 0.12949(8) 0.83680(5) 0.88724(4) 0.0464(2) Uani 1 1 d .
O1 O 0.0240(6) 0.4424(4) 0.5726(3) 0.0574(19) Uani 1 1 d .
O2 O 0.3372(5) 0.4598(3) 0.7724(3) 0.0474(16) Uani 1 1 d .
O3 O -0.0660(6) 0.3945(3) 0.8147(3) 0.0530(17) Uani 1 1 d .
O4 O -0.2559(5) 0.6683(4) 0.5508(3) 0.0469(16) Uani 1 1 d .
O5 O 0.1985(5) 0.7389(4) 0.5084(3) 0.0481(16) Uani 1 1 d .
O6 O 0.5140(5) 0.7564(4) 0.7119(3) 0.0573(18) Uani 1 1 d .
O7 O 0.4038(5) 0.6973(4) 0.9806(3) 0.0461(16) Uani 1 1 d .
O8 O 0.0008(5) 0.6346(4) 1.0186(3) 0.0517(17) Uani 1 1 d .
O9 O -0.3513(5) 0.6152(4) 0.7922(3) 0.0439(15) Uani 1 1 d .
O10 O -0.1964(6) 0.8813(4) 0.7356(4) 0.0586(18) Uani 1 1 d .
O11 O 0.2602(6) 0.9526(4) 0.6909(4) 0.0563(17) Uani 1 1 d .
O12 O 0.1571(7) 0.8969(4) 0.9613(3) 0.065(2) Uani 1 1 d .
O13 O 0.1191(5) 0.5984(3) 0.5652(3) 0.0359(13) Uani 1 1 d .
O14 O 0.1826(5) 0.5283(3) 0.6824(3) 0.0377(13) Uani 1 1 d .
O15 O -0.0321(5) 0.4925(3) 0.7036(3) 0.0376(13) Uani 1 1 d .
O16 O -0.1026(5) 0.5644(3) 0.5854(3) 0.0375(13) Uani 1 1 d .
O17 O 0.3865(5) 0.6133(3) 0.7373(3) 0.0391(14) Uani 1 1 d .
O18 O 0.3398(5) 0.5857(3) 0.8668(3) 0.0406(14) Uani 1 1 d .
O19 O 0.2852(5) 0.7024(3) 0.6457(3) 0.0382(13) Uani 1 1 d .
O20 O -0.0115(5) 0.5305(3) 0.9015(3) 0.0415(14) Uani 1 1 d .
O21 O -0.1804(5) 0.5219(3) 0.7923(3) 0.0377(13) Uani 1 1 d .
O22 O 0.1347(5) 0.5032(3) 0.8095(3) 0.0367(13) Uani 1 1 d .
O23 O 0.4216(5) 0.7278(4) 0.8380(3) 0.0426(14) Uani 1 1 d .
O24 O 0.3154(5) 0.8134(3) 0.7421(3) 0.0410(14) Uani 1 1 d .
O25 O 0.1728(5) 0.6418(3) 0.9279(3) 0.0339(12) Uani 1 1 d .
O26 O 0.1493(5) 0.8058(3) 0.6342(3) 0.0368(13) Uani 1 1 d .
O27 O 0.2564(5) 0.7815(3) 0.8990(3) 0.0405(14) Uani 1 1 d .
O28 O -0.1984(4) 0.6240(3) 0.6908(3) 0.0338(12) Uani 1 1 d .
O29 O -0.1487(5) 0.6360(3) 0.8914(3) 0.0364(13) Uani 1 1 d .
O30 O -0.1652(5) 0.7375(3) 0.7885(3) 0.0352(13) Uani 1 1 d .
O31 O -0.1169(5) 0.7635(3) 0.6612(3) 0.0362(13) Uani 1 1 d .
O32 O 0.0403(5) 0.7477(3) 0.9201(3) 0.0368(13) Uani 1 1 d .
O33 O 0.2037(5) 0.8993(3) 0.8210(3) 0.0463(15) Uani 1 1 d .
O34 O 0.0326(5) 0.8906(3) 0.7126(3) 0.0408(14) Uani 1 1 d .
O35 O -0.0143(5) 0.8641(3) 0.8425(3) 0.0457(15) Uani 1 1 d .
O36 O -0.0178(5) 0.7064(3) 0.5556(3) 0.0358(13) Uani 1 1 d .
O37 O 0.0503(4) 0.6555(3) 0.6793(2) 0.0289(11) Uani 1 1 d .
O38 O 0.0014(4) 0.6305(3) 0.8017(2) 0.0272(11) Uani 1 1 d .
O39 O 0.0807(4) 0.7649(3) 0.7727(3) 0.0326(12) Uani 1 1 d .
O40 O 0.2098(4) 0.6632(3) 0.7825(2) 0.0294(12) Uani 1 1 d .
Gd1 Gd 0.50362(4) 0.22327(2) 0.71705(2) 0.03278(11) Uani 1 1 d .
O1W O 0.3369(6) 0.2536(4) 0.7698(4) 0.0635(19) Uani 1 1 d .
H1WB H 0.3271 0.2482 0.8133 0.076 Uiso 1 1 d R
H1WA H 0.2901 0.2707 0.7382 0.076 Uiso 1 1 d R
O2W O 0.4832(6) 0.0982(4) 0.6516(3) 0.0494(16) Uani 1 1 d .
H2WB H 0.4916 0.0557 0.6705 0.059 Uiso 1 1 d R
H2WA H 0.4660 0.1036 0.6070 0.059 Uiso 1 1 d R
O3W O 0.6840(6) 0.1747(4) 0.7499(4) 0.0608(19) Uani 1 1 d .
H3WB H 0.7494 0.2021 0.7658 0.073 Uiso 1 1 d R
H3WA H 0.6718 0.1256 0.7427 0.073 Uiso 1 1 d R
N1 N 0.2388(7) 0.1747(4) 0.6091(4) 0.0464(19) Uani 1 1 d .
N2 N -0.3231(8) -0.0425(5) 0.5163(4) 0.061(2) Uani 1 1 d .
C1 C 0.2025(9) 0.1178(6) 0.6484(5) 0.056(3) Uani 1 1 d .
H1A H 0.2519 0.1066 0.6881 0.067 Uiso 1 1 calc R
C2 C 0.0920(9) 0.0740(6) 0.6319(5) 0.061(3) Uani 1 1 d .
H2A H 0.0696 0.0328 0.6595 0.074 Uiso 1 1 calc R
C3 C 0.0155(9) 0.0912(6) 0.5752(5) 0.059(3) Uani 1 1 d .
C4 C 0.0574(11) 0.1508(7) 0.5357(7) 0.089(5) Uani 1 1 d .
H4A H 0.0097 0.1643 0.4963 0.107 Uiso 1 1 calc R
C5 C 0.1660(11) 0.1897(8) 0.5530(6) 0.084(4) Uani 1 1 d .
H5A H 0.1916 0.2292 0.5243 0.101 Uiso 1 1 calc R
C6 C -0.2533(13) -0.0587(9) 0.5720(8) 0.113(5) Uani 1 1 d U
H6A H -0.2767 -0.1012 0.5977 0.135 Uiso 1 1 calc R
C7 C -0.1453(13) -0.0137(9) 0.5932(8) 0.111(5) Uani 1 1 d U
H7A H -0.0996 -0.0256 0.6343 0.134 Uiso 1 1 calc R
C8 C -0.1040(10) 0.0469(6) 0.5566(5) 0.060(3) Uani 1 1 d .
C9 C -0.1806(10) 0.0634(7) 0.4999(6) 0.076(4) Uani 1 1 d .
H9A H -0.1595 0.1055 0.4731 0.091 Uiso 1 1 calc R
C10 C -0.2852(11) 0.0194(7) 0.4828(6) 0.075(4) Uani 1 1 d .
H10A H -0.3350 0.0333 0.4445 0.090 Uiso 1 1 calc R
O41 O 0.3429(5) 0.2167(4) 0.6233(3) 0.0484(16) Uani 1 1 d .
O42 O -0.4250(7) -0.0844(4) 0.4969(4) 0.068(2) Uani 1 1 d .
N3 N 0.4396(7) 0.1116(4) 0.8603(4) 0.050(2) Uani 1 1 d .
N4 N 0.3728(8) 0.0150(5) 1.2117(4) 0.054(2) Uani 1 1 d .
C11 C 0.3396(10) 0.0723(6) 0.8743(5) 0.063(3) Uani 1 1 d .
H11A H 0.2796 0.0544 0.8372 0.075 Uiso 1 1 calc R
C12 C 0.3252(10) 0.0581(7) 0.9448(5) 0.063(3) Uani 1 1 d .
H12A H 0.2543 0.0318 0.9543 0.075 Uiso 1 1 calc R
C13 C 0.4127(8) 0.0819(5) 1.0008(5) 0.045(2) Uani 1 1 d .
C14 C 0.5130(9) 0.1204(6) 0.9826(5) 0.053(3) Uani 1 1 d .
H14A H 0.5763 0.1358 1.0183 0.064 Uiso 1 1 calc R
C15 C 0.5242(9) 0.1374(6) 0.9138(5) 0.052(2) Uani 1 1 d .
H15A H 0.5922 0.1675 0.9041 0.063 Uiso 1 1 calc R
C16 C 0.2805(11) -0.0008(8) 1.1581(6) 0.074(4) Uani 1 1 d .
H16A H 0.2087 -0.0265 1.1668 0.089 Uiso 1 1 calc R
C17 C 0.2964(10) 0.0222(7) 1.0915(5) 0.067(3) Uani 1 1 d .
H17A H 0.2334 0.0109 1.0550 0.081 Uiso 1 1 calc R
C18 C 0.3989(8) 0.0606(5) 1.0748(4) 0.044(2) Uani 1 1 d .
C19 C 0.4893(10) 0.0756(7) 1.1305(5) 0.069(3) Uani 1 1 d .
H19A H 0.5614 0.1011 1.1223 0.082 Uiso 1 1 calc R
C20 C 0.4745(11) 0.0529(7) 1.1992(6) 0.073(3) Uani 1 1 d .
H20A H 0.5362 0.0645 1.2365 0.088 Uiso 1 1 calc R
O43 O 0.4493(7) 0.1238(4) 0.7918(3) 0.063(2) Uani 1 1 d .
O44 O 0.3610(7) -0.0106(4) 1.2768(4) 0.068(2) Uani 1 1 d .
N5 N 0.6201(6) 0.3513(4) 0.8609(3) 0.0380(16) Uani 1 1 d .
N6 N 0.7241(7) 0.7021(5) 1.0680(4) 0.053(2) Uani 1 1 d .
C21 C 0.7249(7) 0.3760(5) 0.9002(4) 0.0368(19) Uani 1 1 d .
H21A H 0.7838 0.3460 0.8998 0.044 Uiso 1 1 calc R
C22 C 0.7452(7) 0.4437(5) 0.9402(4) 0.0354(18) Uani 1 1 d .
H22A H 0.8178 0.4596 0.9674 0.042 Uiso 1 1 calc R
C23 C 0.6589(7) 0.4902(5) 0.9412(4) 0.0311(17) Uani 1 1 d .
C24 C 0.5539(8) 0.4648(5) 0.8998(4) 0.0388(19) Uani 1 1 d .
H24A H 0.4946 0.4946 0.8990 0.047 Uiso 1 1 calc R
C25 C 0.5348(7) 0.3953(5) 0.8591(4) 0.042(2) Uani 1 1 d .
H25A H 0.4634 0.3789 0.8306 0.050 Uiso 1 1 calc R
C26 C 0.7737(9) 0.6416(6) 1.0921(5) 0.054(3) Uani 1 1 d .
H26A H 0.8213 0.6464 1.1362 0.065 Uiso 1 1 calc R
C27 C 0.7531(8) 0.5719(6) 1.0506(4) 0.047(2) Uani 1 1 d .
H27A H 0.7880 0.5302 1.0667 0.057 Uiso 1 1 calc R
C28 C 0.6804(7) 0.5645(5) 0.9851(4) 0.0363(19) Uani 1 1 d .
C29 C 0.6289(8) 0.6281(5) 0.9645(5) 0.042(2) Uani 1 1 d .
H29A H 0.5779 0.6244 0.9218 0.050 Uiso 1 1 calc R
C30 C 0.6520(8) 0.6956(5) 1.0058(5) 0.047(2) Uani 1 1 d .
H30A H 0.6174 0.7377 0.9908 0.056 Uiso 1 1 calc R
O45 O 0.6021(6) 0.2842(3) 0.8253(3) 0.0497(16) Uani 1 1 d .
O46 O 0.7448(7) 0.7680(4) 1.1083(4) 0.066(2) Uani 1 1 d .
N7 N 0.4778(6) 0.4131(4) 0.6630(3) 0.0336(15) Uani 1 1 d .
N8 N 0.3921(6) 0.7034(4) 0.4264(4) 0.0403(17) Uani 1 1 d .
C31 C 0.5500(8) 0.4826(5) 0.6726(5) 0.043(2) Uani 1 1 d .
H31A H 0.6166 0.4893 0.7066 0.051 Uiso 1 1 calc R
C32 C 0.5240(7) 0.5425(5) 0.6319(4) 0.0387(19) Uani 1 1 d .
H32A H 0.5734 0.5900 0.6392 0.046 Uiso 1 1 calc R
C33 C 0.4269(7) 0.5348(5) 0.5801(4) 0.0333(18) Uani 1 1 d .
C34 C 0.3802(8) 0.4033(5) 0.6170(5) 0.044(2) Uani 1 1 d .
H34A H 0.3294 0.3564 0.6130 0.053 Uiso 1 1 calc R
C35 C 0.3538(7) 0.4637(5) 0.5745(4) 0.041(2) Uani 1 1 d .
H35A H 0.2858 0.4561 0.5417 0.049 Uiso 1 1 calc R
C36 C 0.3221(8) 0.6329(5) 0.4170(5) 0.043(2) Uani 1 1 d .
H36A H 0.2681 0.6213 0.3756 0.052 Uiso 1 1 calc R
C37 C 0.3298(7) 0.5796(5) 0.4665(4) 0.0378(19) Uani 1 1 d .
H37A H 0.2819 0.5316 0.4587 0.045 Uiso 1 1 calc R
C38 C 0.4086(6) 0.5958(5) 0.5292(4) 0.0286(16) Uani 1 1 d .
C39 C 0.4731(7) 0.6702(5) 0.5395(4) 0.0376(19) Uani 1 1 d .
H39A H 0.5242 0.6844 0.5817 0.045 Uiso 1 1 calc R
C40 C 0.4619(7) 0.7222(5) 0.4883(5) 0.040(2) Uani 1 1 d .
H40A H 0.5041 0.7721 0.4967 0.048 Uiso 1 1 calc R
O47 O 0.5080(6) 0.3560(3) 0.7004(3) 0.0484(16) Uani 1 1 d .
O48 O 0.3821(6) 0.7535(4) 0.3756(3) 0.0539(17) Uani 1 1 d .
N9 N 0.8590(11) 0.6924(8) 0.2969(8) 0.118(5) Uani 1 1 d .
C41 C 0.9538(15) 0.7060(9) 0.3133(7) 0.095(5) Uani 1 1 d .
C42 C 1.0826(12) 0.7196(10) 0.3355(8) 0.110(5) Uani 1 1 d .
H42C H 1.1020 0.7549 0.3772 0.132 Uiso 1 1 calc R
H42A H 1.1204 0.7415 0.2972 0.132 Uiso 1 1 calc R
H42B H 1.1082 0.6712 0.3464 0.132 Uiso 1 1 calc R
O4W O 0.8467(16) 0.2035(11) 0.8856(9) 0.092(5) Uiso 0.50 1 d P
O5W O -0.483(3) 0.0973(18) 0.3808(16) 0.178(11) Uiso 0.50 1 d P
O6W O 0.960(2) 0.8426(16) 1.0775(14) 0.149(9) Uiso 0.50 1 d P
O7W O -0.024(3) -0.0471(19) 1.1910(17) 0.191(12) Uiso 0.50 1 d P
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'
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'
Gd Gd -0.1653 3.9035 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
O37 P1 O38 109.5(3) . .
O37 P1 O40 109.4(3) . .
O38 P1 O40 109.7(3) . .
O37 P1 O39 109.6(3) . .
O38 P1 O39 109.3(3) . .
O40 P1 O39 109.4(3) . .
O1 Mo1 O15 102.1(3) . .
O1 Mo1 O16 102.8(3) . .
O15 Mo1 O16 90.2(2) . .
O1 Mo1 O13 101.8(3) . .
O15 Mo1 O13 155.8(2) . .
O16 Mo1 O13 88.0(2) . .
O1 Mo1 O14 101.9(3) . .
O15 Mo1 O14 85.1(2) . .
O16 Mo1 O14 155.3(2) . .
O13 Mo1 O14 86.6(2) . .
O1 Mo1 O37 172.9(2) . .
O15 Mo1 O37 84.0(2) . .
O16 Mo1 O37 73.3(2) . .
O13 Mo1 O37 72.4(2) . .
O14 Mo1 O37 82.1(2) . .
O2 Mo2 O14 102.5(3) . .
O2 Mo2 O17 102.3(3) . .
O14 Mo2 O17 90.5(2) . .
O2 Mo2 O22 101.5(3) . .
O14 Mo2 O22 86.2(2) . .
O17 Mo2 O22 156.2(2) . .
O2 Mo2 O18 99.9(3) . .
O14 Mo2 O18 157.6(2) . .
O17 Mo2 O18 86.1(2) . .
O22 Mo2 O18 88.0(2) . .
O2 Mo2 O40 171.5(2) . .
O14 Mo2 O40 85.0(2) . .
O17 Mo2 O40 73.2(2) . .
O22 Mo2 O40 83.0(2) . .
O18 Mo2 O40 72.9(2) . .
O3 Mo3 O15 102.0(3) . .
O3 Mo3 O20 101.2(3) . .
O15 Mo3 O20 156.8(2) . .
O3 Mo3 O22 102.8(3) . .
O15 Mo3 O22 85.1(2) . .
O20 Mo3 O22 89.3(2) . .
O3 Mo3 O21 101.7(3) . .
O15 Mo3 O21 88.4(2) . .
O20 Mo3 O21 87.4(2) . .
O22 Mo3 O21 155.5(2) . .
O3 Mo3 O38 171.9(2) . .
O15 Mo3 O38 83.8(2) . .
O20 Mo3 O38 73.1(2) . .
O22 Mo3 O38 83.1(2) . .
O21 Mo3 O38 72.6(2) . .
O4 Mo4 O36 101.9(3) . .
O4 Mo4 O31 102.1(3) . .
O36 Mo4 O31 90.7(2) . .
O4 Mo4 O16 100.5(3) . .
O36 Mo4 O16 88.0(2) . .
O31 Mo4 O16 157.2(2) . .
O4 Mo4 O28 101.4(3) . .
O36 Mo4 O28 156.8(2) . .
O31 Mo4 O28 85.1(2) . .
O16 Mo4 O28 87.2(2) . .
O4 Mo4 O37 172.1(2) . .
O36 Mo4 O37 73.2(2) . .
O31 Mo4 O37 84.4(2) . .
O16 Mo4 O37 73.46(19) . .
O28 Mo4 O37 83.60(19) . .
O5 Mo5 O19 104.0(3) . .
O5 Mo5 O13 103.0(3) . .
O19 Mo5 O13 92.3(2) . .
O5 Mo5 O26 100.0(3) . .
O19 Mo5 O26 85.8(2) . .
O13 Mo5 O26 156.6(2) . .
O5 Mo5 O36 99.6(3) . .
O19 Mo5 O36 155.9(2) . .
O13 Mo5 O36 87.0(2) . .
O26 Mo5 O36 85.4(2) . .
O5 Mo5 O37 170.7(2) . .
O19 Mo5 O37 84.9(2) . .
O13 Mo5 O37 73.6(2) . .
O26 Mo5 O37 83.0(2) . .
O36 Mo5 O37 71.79(19) . .
O6 Mo6 O23 102.9(3) . .
O6 Mo6 O24 102.8(3) . .
O23 Mo6 O24 90.6(3) . .
O6 Mo6 O17 102.9(3) . .
O23 Mo6 O17 88.5(2) . .
O24 Mo6 O17 153.8(2) . .
O6 Mo6 O19 101.8(3) . .
O23 Mo6 O19 155.3(2) . .
O24 Mo6 O19 83.2(2) . .
O17 Mo6 O19 86.8(2) . .
O6 Mo6 O40 173.6(3) . .
O23 Mo6 O40 73.4(2) . .
O24 Mo6 O40 82.6(2) . .
O17 Mo6 O40 72.1(2) . .
O19 Mo6 O40 82.1(2) . .
O7 Mo7 O25 102.9(3) . .
O7 Mo7 O18 102.2(3) . .
O25 Mo7 O18 91.6(2) . .
O7 Mo7 O27 100.8(3) . .
O25 Mo7 O27 86.4(2) . .
O18 Mo7 O27 156.8(2) . .
O7 Mo7 O23 100.5(3) . .
O25 Mo7 O23 156.5(2) . .
O18 Mo7 O23 86.2(3) . .
O27 Mo7 O23 86.6(3) . .
O7 Mo7 O40 172.8(2) . .
O25 Mo7 O40 83.4(2) . .
O18 Mo7 O40 73.8(2) . .
O27 Mo7 O40 83.1(2) . .
O23 Mo7 O40 73.5(2) . .
O8 Mo8 O29 102.5(3) . .
O8 Mo8 O32 102.4(3) . .
O29 Mo8 O32 91.0(2) . .
O8 Mo8 O20 100.9(3) . .
O29 Mo8 O20 87.2(3) . .
O32 Mo8 O20 156.4(2) . .
O8 Mo8 O25 102.0(3) . .
O29 Mo8 O25 155.5(2) . .
O32 Mo8 O25 85.0(2) . .
O20 Mo8 O25 87.0(2) . .
O8 Mo8 O38 172.9(3) . .
O29 Mo8 O38 73.6(2) . .
O32 Mo8 O38 83.73(19) . .
O20 Mo8 O38 73.2(2) . .
O25 Mo8 O38 82.00(19) . .
O9 Mo9 O28 102.6(2) . .
O9 Mo9 O30 103.4(3) . .
O28 Mo9 O30 86.6(2) . .
O9 Mo9 O21 100.4(3) . .
O28 Mo9 O21 89.3(2) . .
O30 Mo9 O21 156.2(2) . .
O9 Mo9 O29 100.6(3) . .
O28 Mo9 O29 156.8(2) . .
O30 Mo9 O29 88.7(2) . .
O21 Mo9 O29 85.9(2) . .
O9 Mo9 O38 170.7(2) . .
O28 Mo9 O38 84.07(19) . .
O30 Mo9 O38 83.3(2) . .
O21 Mo9 O38 72.9(2) . .
O29 Mo9 O38 72.9(2) . .
O10 Mo10 O30 103.3(3) . .
O10 Mo10 O35 102.4(3) . .
O30 Mo10 O35 89.8(3) . .
O10 Mo10 O34 100.6(3) . .
O30 Mo10 O34 156.1(2) . .
O35 Mo10 O34 86.8(3) . .
O10 Mo10 O31 102.0(3) . .
O30 Mo10 O31 85.2(2) . .
O35 Mo10 O31 155.6(2) . .
O34 Mo10 O31 88.2(2) . .
O10 Mo10 O39 171.7(3) . .
O30 Mo10 O39 83.6(2) . .
O35 Mo10 O39 72.7(2) . .
O34 Mo10 O39 72.8(2) . .
O31 Mo10 O39 83.0(2) . .
O11 Mo11 O26 102.9(3) . .
O11 Mo11 O24 101.4(3) . .
O26 Mo11 O24 86.9(2) . .
O11 Mo11 O34 102.1(3) . .
O26 Mo11 O34 90.1(2) . .
O24 Mo11 O34 156.3(2) . .
O11 Mo11 O33 99.6(3) . .
O26 Mo11 O33 157.4(2) . .
O24 Mo11 O33 87.7(2) . .
O34 Mo11 O33 86.1(3) . .
O11 Mo11 O39 171.1(3) . .
O26 Mo11 O39 84.7(2) . .
O24 Mo11 O39 83.3(2) . .
O34 Mo11 O39 73.0(2) . .
O33 Mo11 O39 72.9(2) . .
O12 Mo12 O27 102.1(3) . .
O12 Mo12 O33 101.3(3) . .
O27 Mo12 O33 89.8(3) . .
O12 Mo12 O32 101.4(3) . .
O27 Mo12 O32 86.4(2) . .
O33 Mo12 O32 157.2(2) . .
O12 Mo12 O35 100.9(3) . .
O27 Mo12 O35 157.0(2) . .
O33 Mo12 O35 86.9(3) . .
O32 Mo12 O35 87.9(3) . .
O12 Mo12 O39 172.2(3) . .
O27 Mo12 O39 84.1(2) . .
O33 Mo12 O39 73.8(2) . .
O32 Mo12 O39 83.5(2) . .
O35 Mo12 O39 73.1(2) . .
Mo5 O13 Mo1 125.5(3) . .
Mo2 O14 Mo1 151.9(3) . .
Mo1 O15 Mo3 152.0(3) . .
Mo1 O16 Mo4 124.6(3) . .
Mo2 O17 Mo6 125.9(3) . .
Mo7 O18 Mo2 123.9(3) . .
Mo5 O19 Mo6 153.7(3) . .
Mo3 O20 Mo8 124.8(3) . .
Mo3 O21 Mo9 125.2(3) . .
Mo2 O22 Mo3 151.4(3) . .
Mo6 O23 Mo7 124.5(3) . .
Mo6 O24 Mo11 152.8(3) . .
Mo7 O25 Mo8 153.0(3) . .
Mo11 O26 Mo5 149.1(3) . .
Mo12 O27 Mo7 150.0(3) . .
Mo9 O28 Mo4 150.3(3) . .
Mo8 O29 Mo9 124.9(3) . .
Mo10 O30 Mo9 151.5(3) . .
Mo4 O31 Mo10 152.4(3) . .
Mo8 O32 Mo12 151.6(3) . .
Mo12 O33 Mo11 123.7(3) . .
Mo10 O34 Mo11 124.9(3) . .
Mo10 O35 Mo12 125.0(3) . .
Mo4 O36 Mo5 125.3(3) . .
P1 O37 Mo5 126.0(3) . .
P1 O37 Mo4 125.8(3) . .
Mo5 O37 Mo4 89.52(16) . .
P1 O37 Mo1 126.4(3) . .
Mo5 O37 Mo1 88.48(16) . .
Mo4 O37 Mo1 88.51(16) . .
P1 O38 Mo9 126.2(3) . .
P1 O38 Mo8 126.1(3) . .
Mo9 O38 Mo8 88.69(16) . .
P1 O38 Mo3 125.8(3) . .
Mo9 O38 Mo3 89.20(16) . .
Mo8 O38 Mo3 88.74(16) . .
P1 O39 Mo12 125.8(3) . .
P1 O39 Mo11 125.5(3) . .
Mo12 O39 Mo11 89.58(18) . .
P1 O39 Mo10 126.0(3) . .
Mo12 O39 Mo10 89.07(17) . .
Mo11 O39 Mo10 89.30(18) . .
P1 O40 Mo7 126.1(3) . .
P1 O40 Mo2 125.4(3) . .
Mo7 O40 Mo2 89.50(17) . .
P1 O40 Mo6 126.6(3) . .
Mo7 O40 Mo6 88.55(17) . .
Mo2 O40 Mo6 88.64(17) . .
O45 Gd1 O47 75.9(2) . .
O45 Gd1 O43 82.3(2) . .
O47 Gd1 O43 143.9(2) . .
O45 Gd1 O48 110.6(2) . 2_666
O47 Gd1 O48 76.3(2) . 2_666
O43 Gd1 O48 139.0(2) . 2_666
O45 Gd1 O41 147.4(2) . .
O47 Gd1 O41 80.2(2) . .
O43 Gd1 O41 105.6(2) . .
O48 Gd1 O41 84.4(2) 2_666 .
O45 Gd1 O3W 69.6(2) . .
O47 Gd1 O3W 119.5(2) . .
O43 Gd1 O3W 77.5(3) . .
O48 Gd1 O3W 71.7(2) 2_666 .
O41 Gd1 O3W 142.7(2) . .
O45 Gd1 O2W 137.9(2) . .
O47 Gd1 O2W 142.2(2) . .
O43 Gd1 O2W 70.5(2) . .
O48 Gd1 O2W 75.2(2) 2_666 .
O41 Gd1 O2W 72.8(2) . .
O3W Gd1 O2W 73.6(2) . .
O45 Gd1 O1W 81.2(2) . .
O47 Gd1 O1W 76.4(2) . .
O43 Gd1 O1W 72.1(3) . .
O48 Gd1 O1W 146.3(2) 2_666 .
O41 Gd1 O1W 71.8(2) . .
O3W Gd1 O1W 140.2(2) . .
O2W Gd1 O1W 117.7(2) . .
Gd1 O1W H1WB 125.3 . .
Gd1 O1W H1WA 109.5 . .
H1WB O1W H1WA 125.3 . .
Gd1 O2W H2WB 125.2 . .
Gd1 O2W H2WA 109.6 . .
H2WB O2W H2WA 125.3 . .
Gd1 O3W H3WB 125.7 . .
Gd1 O3W H3WA 109.1 . .
H3WB O3W H3WA 125.3 . .
O41 N1 C1 122.7(7) . .
O41 N1 C5 119.3(8) . .
C1 N1 C5 117.9(9) . .
O42 N2 C6 121.2(10) . .
O42 N2 C10 122.5(9) . .
C6 N2 C10 116.2(10) . .
N1 C1 C2 121.5(9) . .
N1 C1 H1A 119.2 . .
C2 C1 H1A 119.2 . .
C3 C2 C1 120.5(9) . .
C3 C2 H2A 119.8 . .
C1 C2 H2A 119.8 . .
C4 C3 C2 115.8(9) . .
C4 C3 C8 122.0(9) . .
C2 C3 C8 122.2(9) . .
C5 C4 C3 121.2(10) . .
C5 C4 H4A 119.4 . .
C3 C4 H4A 119.4 . .
N1 C5 C4 123.1(10) . .
N1 C5 H5A 118.5 . .
C4 C5 H5A 118.5 . .
N2 C6 C7 121.3(13) . .
N2 C6 H6A 119.4 . .
C7 C6 H6A 119.4 . .
C8 C7 C6 122.4(12) . .
C8 C7 H7A 118.8 . .
C6 C7 H7A 118.8 . .
C7 C8 C9 114.6(10) . .
C7 C8 C3 122.9(10) . .
C9 C8 C3 122.5(9) . .
C10 C9 C8 120.5(10) . .
C10 C9 H9A 119.7 . .
C8 C9 H9A 119.7 . .
N2 C10 C9 124.8(10) . .
N2 C10 H10A 117.6 . .
C9 C10 H10A 117.6 . .
N1 O41 Gd1 134.9(5) . .
C15 N3 C11 119.7(8) . .
C15 N3 O43 122.9(8) . .
C11 N3 O43 117.4(8) . .
C20 N4 O44 120.1(9) . .
C20 N4 C16 120.7(9) . .
O44 N4 C16 119.2(9) . .
N3 C11 C12 119.6(10) . .
N3 C11 H11A 120.2 . .
C12 C11 H11A 120.2 . .
C13 C12 C11 121.9(10) . .
C13 C12 H12A 119.1 . .
C11 C12 H12A 119.1 . .
C14 C13 C12 115.5(9) . .
C14 C13 C18 123.4(9) . .
C12 C13 C18 120.9(9) . .
C13 C14 C15 122.2(9) . .
C13 C14 H14A 118.9 . .
C15 C14 H14A 118.9 . .
N3 C15 C14 121.1(9) . .
N3 C15 H15A 119.5 . .
C14 C15 H15A 119.5 . .
C17 C16 N4 118.1(11) . .
C17 C16 H16A 120.9 . .
N4 C16 H16A 120.9 . .
C16 C17 C18 124.2(10) . .
C16 C17 H17A 117.9 . .
C18 C17 H17A 117.9 . .
C17 C18 C19 115.6(9) . .
C17 C18 C13 122.0(8) . .
C19 C18 C13 122.3(9) . .
C18 C19 C20 121.0(11) . .
C18 C19 H19A 119.5 . .
C20 C19 H19A 119.5 . .
N4 C20 C19 120.3(10) . .
N4 C20 H20A 119.9 . .
C19 C20 H20A 119.9 . .
N3 O43 Gd1 141.3(6) . .
O45 N5 C21 119.0(7) . .
O45 N5 C25 120.7(7) . .
C21 N5 C25 120.3(7) . .
O46 N6 C30 120.2(9) . .
O46 N6 C26 118.7(8) . .
C30 N6 C26 121.1(8) . .
N5 C21 C22 120.7(8) . .
N5 C21 H21A 119.7 . .
C22 C21 H21A 119.7 . .
C21 C22 C23 121.0(8) . .
C21 C22 H22A 119.5 . .
C23 C22 H22A 119.5 . .
C24 C23 C22 117.4(8) . .
C24 C23 C28 121.3(7) . .
C22 C23 C28 121.3(7) . .
C23 C24 C25 120.8(8) . .
C23 C24 H24A 119.6 . .
C25 C24 H24A 119.6 . .
N5 C25 C24 119.9(7) . .
N5 C25 H25A 120.1 . .
C24 C25 H25A 120.1 . .
N6 C26 C27 119.6(8) . .
N6 C26 H26A 120.2 . .
C27 C26 H26A 120.2 . .
C28 C27 C26 120.1(9) . .
C28 C27 H27A 120.0 . .
C26 C27 H27A 120.0 . .
C29 C28 C27 117.5(8) . .
C29 C28 C23 122.7(7) . .
C27 C28 C23 119.8(8) . .
C30 C29 C28 120.9(8) . .
C30 C29 H29A 119.5 . .
C28 C29 H29A 119.5 . .
N6 C30 C29 120.8(9) . .
N6 C30 H30A 119.6 . .
C29 C30 H30A 119.6 . .
N5 O45 Gd1 140.2(5) . .
O47 N7 C34 121.0(7) . .
O47 N7 C31 117.9(7) . .
C34 N7 C31 121.1(7) . .
O48 N8 C40 121.9(7) . .
O48 N8 C36 118.8(8) . .
C40 N8 C36 119.1(7) . .
N7 C31 C32 119.5(8) . .
N7 C31 H31A 120.3 . .
C32 C31 H31A 120.3 . .
C31 C32 C33 122.3(8) . .
C31 C32 H32A 118.9 . .
C33 C32 H32A 118.9 . .
C32 C33 C35 115.8(8) . .
C32 C33 C38 121.7(7) . .
C35 C33 C38 122.2(7) . .
N7 C34 C35 119.7(8) . .
N7 C34 H34A 120.2 . .
C35 C34 H34A 120.2 . .
C33 C35 C34 121.5(8) . .
C33 C35 H35A 119.3 . .
C34 C35 H35A 119.3 . .
C37 C36 N8 121.1(8) . .
C37 C36 H36A 119.4 . .
N8 C36 H36A 119.4 . .
C36 C37 C38 120.6(8) . .
C36 C37 H37A 119.7 . .
C38 C37 H37A 119.7 . .
C37 C38 C39 116.8(7) . .
C37 C38 C33 120.9(7) . .
C39 C38 C33 122.3(7) . .
C40 C39 C38 120.5(8) . .
C40 C39 H39A 119.7 . .
C38 C39 H39A 119.7 . .
N8 C40 C39 121.5(8) . .
N8 C40 H40A 119.3 . .
C39 C40 H40A 119.3 . .
N7 O47 Gd1 151.5(5) . .
N8 O48 Gd1 127.9(5) . 2_666
N9 C41 C42 176.8(19) . .
C41 C42 H42C 109.5 . .
C41 C42 H42A 109.5 . .
H42C C42 H42A 109.5 . .
C41 C42 H42B 109.5 . .
H42C C42 H42B 109.5 . .
H42A C42 H42B 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
P1 O37 1.524(5) .
P1 O38 1.528(5) .
P1 O40 1.534(5) .
P1 O39 1.535(5) .
Mo1 O1 1.675(6) .
Mo1 O15 1.901(5) .
Mo1 O16 1.904(6) .
Mo1 O13 1.925(6) .
Mo1 O14 1.929(5) .
Mo1 O37 2.445(5) .
Mo2 O2 1.670(6) .
Mo2 O14 1.862(5) .
Mo2 O17 1.896(6) .
Mo2 O22 1.904(6) .
Mo2 O18 1.942(5) .
Mo2 O40 2.411(5) .
Mo3 O3 1.676(6) .
Mo3 O15 1.906(5) .
Mo3 O20 1.907(6) .
Mo3 O22 1.907(6) .
Mo3 O21 1.914(6) .
Mo3 O38 2.434(5) .
Mo4 O4 1.683(5) .
Mo4 O36 1.867(5) .
Mo4 O31 1.890(6) .
Mo4 O16 1.932(6) .
Mo4 O28 1.934(5) .
Mo4 O37 2.421(5) .
Mo5 O5 1.673(6) .
Mo5 O19 1.856(5) .
Mo5 O13 1.890(6) .
Mo5 O26 1.939(6) .
Mo5 O36 1.967(5) .
Mo5 O37 2.417(5) .
Mo6 O6 1.662(6) .
Mo6 O23 1.881(5) .
Mo6 O24 1.902(6) .
Mo6 O17 1.914(6) .
Mo6 O19 1.948(5) .
Mo6 O40 2.446(5) .
Mo7 O7 1.680(5) .
Mo7 O25 1.858(5) .
Mo7 O18 1.898(6) .
Mo7 O27 1.930(6) .
Mo7 O23 1.943(6) .
Mo7 O40 2.402(5) .
Mo8 O8 1.676(6) .
Mo8 O29 1.881(5) .
Mo8 O32 1.902(6) .
Mo8 O20 1.924(6) .
Mo8 O25 1.933(5) .
Mo8 O38 2.421(5) .
Mo9 O9 1.682(6) .
Mo9 O28 1.886(5) .
Mo9 O30 1.907(6) .
Mo9 O21 1.922(6) .
Mo9 O29 1.932(5) .
Mo9 O38 2.417(5) .
Mo10 O10 1.669(6) .
Mo10 O30 1.893(5) .
Mo10 O35 1.909(6) .
Mo10 O34 1.914(6) .
Mo10 O31 1.919(5) .
Mo10 O39 2.431(5) .
Mo11 O11 1.685(7) .
Mo11 O26 1.881(5) .
Mo11 O24 1.908(6) .
Mo11 O34 1.926(6) .
Mo11 O33 1.951(6) .
Mo11 O39 2.412(5) .
Mo12 O12 1.679(6) .
Mo12 O27 1.890(6) .
Mo12 O33 1.902(6) .
Mo12 O32 1.910(6) .
Mo12 O35 1.919(6) .
Mo12 O39 2.410(5) .
Gd1 O45 2.335(6) .
Gd1 O47 2.346(6) .
Gd1 O43 2.346(6) .
Gd1 O48 2.353(6) 2_666
Gd1 O41 2.389(6) .
Gd1 O3W 2.413(6) .
Gd1 O2W 2.430(6) .
Gd1 O1W 2.431(7) .
O1W H1WB 0.8500 .
O1W H1WA 0.8501 .
O2W H2WB 0.8498 .
O2W H2WA 0.8500 .
O3W H3WB 0.8499 .
O3W H3WA 0.8502 .
N1 O41 1.313(9) .
N1 C1 1.315(12) .
N1 C5 1.328(12) .
N2 O42 1.299(10) .
N2 C6 1.309(15) .
N2 C10 1.322(13) .
C1 C2 1.389(13) .
C1 H1A 0.9300 .
C2 C3 1.374(13) .
C2 H2A 0.9300 .
C3 C4 1.370(14) .
C3 C8 1.483(13) .
C4 C5 1.341(15) .
C4 H4A 0.9300 .
C5 H5A 0.9300 .
C6 C7 1.384(18) .
C6 H6A 0.9300 .
C7 C8 1.349(16) .
C7 H7A 0.9300 .
C8 C9 1.370(13) .
C9 C10 1.336(15) .
C9 H9A 0.9300 .
C10 H10A 0.9300 .
N3 C15 1.327(12) .
N3 C11 1.331(13) .
N3 O43 1.333(9) .
N4 C20 1.328(13) .
N4 O44 1.340(9) .
N4 C16 1.363(13) .
C11 C12 1.389(13) .
C11 H11A 0.9300 .
C12 C13 1.372(13) .
C12 H12A 0.9300 .
C13 C14 1.356(13) .
C13 C18 1.481(12) .
C14 C15 1.361(13) .
C14 H14A 0.9300 .
C15 H15A 0.9300 .
C16 C17 1.361(14) .
C16 H16A 0.9300 .
C17 C18 1.367(14) .
C17 H17A 0.9300 .
C18 C19 1.374(13) .
C19 C20 1.394(15) .
C19 H19A 0.9300 .
C20 H20A 0.9300 .
N5 O45 1.300(9) .
N5 C21 1.346(10) .
N5 C25 1.351(11) .
N6 O46 1.326(10) .
N6 C30 1.340(12) .
N6 C26 1.348(13) .
C21 C22 1.350(11) .
C21 H21A 0.9300 .
C22 C23 1.395(11) .
C22 H22A 0.9300 .
C23 C24 1.367(11) .
C23 C28 1.481(11) .
C24 C25 1.382(12) .
C24 H24A 0.9300 .
C25 H25A 0.9300 .
C26 C27 1.394(13) .
C26 H26A 0.9300 .
C27 C28 1.392(11) .
C27 H27A 0.9300 .
C28 C29 1.388(12) .
C29 C30 1.359(12) .
C29 H29A 0.9300 .
C30 H30A 0.9300 .
N7 O47 1.309(8) .
N7 C34 1.323(11) .
N7 C31 1.359(10) .
N8 O48 1.329(8) .
N8 C40 1.330(11) .
N8 C36 1.362(11) .
C31 C32 1.370(11) .
C31 H31A 0.9300 .
C32 C33 1.382(11) .
C32 H32A 0.9300 .
C33 C35 1.388(11) .
C33 C38 1.483(11) .
C34 C35 1.395(12) .
C34 H34A 0.9300 .
C35 H35A 0.9300 .
C36 C37 1.349(11) .
C36 H36A 0.9300 .
C37 C38 1.389(11) .
C37 H37A 0.9300 .
C38 C39 1.392(11) .
C39 C40 1.358(11) .
C39 H39A 0.9300 .
C40 H40A 0.9300 .
O48 Gd1 2.353(6) 2_666
N9 C41 1.099(17) .
C41 C42 1.492(19) .
C42 H42C 0.9600 .
C42 H42A 0.9600 .
C42 H42B 0.9600 .
