#------------------------------------------------------------------------------
#$Date: 2016-03-26 17:21:16 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180389 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/58/7205849.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_7205849
loop_
_publ_author_name
'Liu, Hai-Yang'
'Yuan, Yong-Jun'
'Yu, Zhen-Tao'
'Zou, Zhi-Gang'
_publ_section_title
;
 Direct assembly of new cobalt(iii)-lanthanide(iii) heterometallic
 frameworks with NaCl-like topology
;
_journal_issue                   7
_journal_name_full               CrystEngComm
_journal_page_first              2391
_journal_paper_doi               10.1039/c0ce00881h
_journal_volume                  13
_journal_year                    2011
_chemical_formula_sum            'C72 H74 Co2 Gd4 N18 O61'
_chemical_formula_weight         2914.35
_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                102.016(2)
_cell_angle_beta                 103.475(3)
_cell_angle_gamma                95.419(2)
_cell_formula_units_Z            1
_cell_length_a                   11.1450(15)
_cell_length_b                   12.424(2)
_cell_length_c                   22.1800(12)
_cell_measurement_reflns_used    1135
_cell_measurement_temperature    291(2)
_cell_measurement_theta_max      18.54
_cell_measurement_theta_min      2.25
_cell_volume                     2888.0(6)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  SHELXTL
_computing_structure_solution    'SHELXTL (Bruker, 2000)'
_diffrn_ambient_temperature      291(2)
_diffrn_measured_fraction_theta_full 0.975
_diffrn_measured_fraction_theta_max 0.975
_diffrn_measurement_device_type  'Bruker Smart Apex CCD'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0276
_diffrn_reflns_av_sigmaI/netI    0.0741
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            15714
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.70
_exptl_absorpt_coefficient_mu    2.646
_exptl_absorpt_correction_T_max  0.5692
_exptl_absorpt_correction_T_min  0.5040
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS; Bruker, 2000'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.676
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1430
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.24
_refine_diff_density_max         1.041
_refine_diff_density_min         -1.094
_refine_diff_density_rms         0.111
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.020
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           fullcycle
_refine_ls_number_parameters     739
_refine_ls_number_reflns         11089
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.020
_refine_ls_R_factor_all          0.0825
_refine_ls_R_factor_gt           0.0538
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.06P)²+1.22P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1111
_refine_ls_wR_factor_ref         0.1171
_reflns_number_gt                7494
_reflns_number_total             11089
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c0ce00881h.txt
_cod_data_source_block           2
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'MULTI-SCAN' changed
to 'multi-scan' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1555 2011-01-17 13:19:09Z saulius 
;
_cod_original_cell_volume        2888.0(7)
_cod_original_sg_symbol_H-M      'P-1 '
_cod_database_code               7205849
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
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.3008(6) 0.1724(5) 0.6292(3) 0.0451(16) Uani 1 1 d . . .
H1A H 0.2243 0.1266 0.6117 0.054 Uiso 1 1 calc R . .
C2 C 0.3475(7) 0.2409(6) 0.5918(3) 0.0532(17) Uani 1 1 d . . .
H2A H 0.3048 0.2351 0.5496 0.064 Uiso 1 1 calc R . .
C3 C 0.4535(5) 0.3130(5) 0.6191(3) 0.0337(12) Uani 1 1 d . . .
C4 C 0.5222(6) 0.3106(5) 0.6830(3) 0.0394(13) Uani 1 1 d . . .
H4A H 0.5977 0.3573 0.7023 0.047 Uiso 1 1 calc R . .
C5 C 0.4775(6) 0.2416(5) 0.7141(3) 0.0396(13) Uani 1 1 d . . .
C6 C 0.5337(6) 0.2312(5) 0.7785(3) 0.0404(14) Uani 1 1 d . . .
C7 C 0.6396(5) 0.3065(5) 0.8199(3) 0.0391(14) Uani 1 1 d . . .
H7A H 0.6736 0.3658 0.8066 0.047 Uiso 1 1 calc R . .
C8 C 0.6937(6) 0.2898(5) 0.8827(3) 0.0378(13) Uani 1 1 d . . .
C9 C 0.6436(6) 0.2018(5) 0.8962(3) 0.0410(14) Uani 1 1 d . . .
H9A H 0.6806 0.1849 0.9345 0.049 Uiso 1 1 calc R . .
C10 C 0.5381(6) 0.1321(5) 0.8564(3) 0.0418(14) Uani 1 1 d . . .
H10E H 0.5028 0.0737 0.8701 0.050 Uiso 1 1 calc R . .
C11 C 0.5065(6) 0.3920(4) 0.5847(3) 0.0367(13) Uani 1 1 d . . .
C12 C 0.8068(6) 0.3696(6) 0.9262(3) 0.0506(17) Uani 1 1 d . . .
C13 C 0.2841(6) -0.1080(5) 0.8034(3) 0.0391(13) Uani 1 1 d . . .
H13E H 0.3205 -0.1510 0.7751 0.047 Uiso 1 1 calc R . .
C14 C 0.2383(5) -0.1540(5) 0.8430(3) 0.0358(13) Uani 1 1 d . . .
H14E H 0.2391 -0.2294 0.8410 0.043 Uiso 1 1 calc R . .
C15 C 0.1871(5) -0.0889(5) 0.8889(3) 0.0360(13) Uani 1 1 d . . .
C16 C 0.1814(5) 0.0200(5) 0.8902(3) 0.0393(14) Uani 1 1 d . . .
H16E H 0.1489 0.0640 0.9200 0.047 Uiso 1 1 calc R . .
C17 C 0.2260(5) 0.0633(5) 0.8452(3) 0.0378(13) Uani 1 1 d . . .
C18 C 0.2299(6) 0.1826(5) 0.8438(3) 0.0379(13) Uani 1 1 d . . .
C19 C 0.1837(6) 0.2608(5) 0.8847(3) 0.0430(15) Uani 1 1 d . . .
H19E H 0.1573 0.2420 0.9185 0.052 Uiso 1 1 calc R . .
C20 C 0.1781(6) 0.3649(5) 0.8740(3) 0.0408(14) Uani 1 1 d . . .
C21 C 0.2049(6) 0.3894(4) 0.8229(3) 0.0379(14) Uani 1 1 d . . .
H21D H 0.1956 0.4579 0.8131 0.045 Uiso 1 1 calc R . .
C22 C 0.2482(6) 0.3055(5) 0.7846(3) 0.0362(13) Uani 1 1 d . . .
H22C H 0.2677 0.3242 0.7492 0.043 Uiso 1 1 calc R . .
C23 C 0.1349(6) -0.1425(5) 0.9323(4) 0.0471(16) Uani 1 1 d . . .
C24 C 0.1207(6) 0.4391(5) 0.9162(3) 0.0364(13) Uani 1 1 d . . .
C25 C 0.0488(5) 0.0620(4) 0.6914(3) 0.0327(12) Uani 1 1 d . . .
H25E H 0.0524 0.1301 0.7193 0.039 Uiso 1 1 calc R . .
C26 C -0.0675(6) 0.0059(5) 0.6528(3) 0.0440(15) Uani 1 1 d . . .
H26A H -0.1394 0.0388 0.6514 0.053 Uiso 1 1 calc R . .
C27 C -0.0713(6) -0.0973(5) 0.6181(3) 0.0410(14) Uani 1 1 d . . .
C28 C 0.0434(5) -0.1456(5) 0.6141(3) 0.0346(12) Uani 1 1 d . . .
H28A H 0.0412 -0.2150 0.5877 0.041 Uiso 1 1 calc R . .
C29 C 0.1533(5) -0.0826(5) 0.6515(3) 0.0348(12) Uani 1 1 d . . .
C30 C 0.2760(5) -0.1148(5) 0.6503(3) 0.0390(13) Uani 1 1 d . . .
C31 C 0.2975(6) -0.2038(6) 0.6116(3) 0.0458(15) Uani 1 1 d . . .
H31A H 0.2306 -0.2522 0.5824 0.055 Uiso 1 1 calc R . .
C32 C 0.4216(6) -0.2262(5) 0.6142(3) 0.0378(13) Uani 1 1 d . . .
C33 C 0.5166(6) -0.1522(6) 0.6612(3) 0.0439(15) Uani 1 1 d . . .
H33A H 0.5985 -0.1653 0.6653 0.053 Uiso 1 1 calc R . .
C34 C 0.4946(6) -0.0623(5) 0.7011(3) 0.0430(15) Uani 1 1 d . . .
H34A H 0.5602 -0.0157 0.7322 0.052 Uiso 1 1 calc R . .
C35 C -0.1931(6) -0.1704(5) 0.5830(3) 0.0456(16) Uani 1 1 d . . .
C36 C 0.4565(6) -0.3222(6) 0.5721(4) 0.0513(17) Uani 1 1 d . . .
Co1 Co 0.32239(8) 0.08629(7) 0.74301(4) 0.03591(18) Uani 1 1 d . . .
Gd1 Gd 0.30126(3) 0.44649(2) 0.451350(15) 0.03658(9) Uani 1 1 d . . .
Gd2 Gd 0.95940(3) 0.63148(3) 0.949312(15) 0.03938(9) Uani 1 1 d . . .
N1 N 0.3676(5) 0.1734(4) 0.6908(3) 0.0414(12) Uani 1 1 d . . .
N2 N 0.4854(5) 0.1475(4) 0.7979(2) 0.0391(11) Uani 1 1 d . . .
N3 N 0.2797(4) 0.0071(4) 0.8024(2) 0.0335(10) Uani 1 1 d . . .
N4 N 0.2652(5) 0.2078(4) 0.7903(2) 0.0393(12) Uani 1 1 d . . .
N5 N 0.1560(5) 0.0208(4) 0.6893(2) 0.0398(12) Uani 1 1 d . . .
N6 N 0.3765(4) -0.0411(4) 0.6952(2) 0.0301(10) Uani 1 1 d . . .
N7 N 0.1382(6) 0.9641(5) 0.2006(3) 0.0466(13) Uani 1 1 d . . .
N8 N 0.8766(6) 0.3953(5) 0.2911(3) 0.0526(15) Uani 1 1 d . . .
N9 N 0.7884(5) 0.1513(5) 0.5384(3) 0.0452(13) Uani 1 1 d . . .
O1 O 0.4299(4) 0.4098(4) 0.5379(2) 0.0425(10) Uani 1 1 d . . .
O2 O 0.6218(4) 0.4331(3) 0.60027(19) 0.0394(9) Uani 1 1 d . . .
O3 O 0.8399(4) 0.4511(4) 0.9097(2) 0.0418(10) Uani 1 1 d . . .
O4 O 0.8557(4) 0.3404(3) 0.9719(2) 0.0416(10) Uani 1 1 d . . .
O5 O 0.0910(4) -0.2449(4) 0.9183(2) 0.0427(10) Uani 1 1 d . . .
O6 O 0.1288(4) -0.0760(4) 0.9836(2) 0.0489(11) Uani 1 1 d . . .
O7 O 0.0954(4) 0.4157(3) 0.9633(2) 0.0379(9) Uani 1 1 d . . .
O8 O 0.0917(4) 0.5279(3) 0.8967(2) 0.0414(10) Uani 1 1 d . . .
O9 O -0.2869(4) -0.1252(4) 0.5717(2) 0.0411(10) Uani 1 1 d . . .
O10 O -0.1952(4) -0.2732(3) 0.5614(2) 0.0366(9) Uani 1 1 d . . .
O11 O 0.3634(4) -0.3777(4) 0.5290(2) 0.0456(11) Uani 1 1 d . . .
O12 O 0.5562(4) -0.3531(4) 0.5870(2) 0.0409(10) Uani 1 1 d . . .
O71 O 0.0979(4) 1.0522(4) 0.2028(2) 0.0508(12) Uani 1 1 d . . .
O72 O 0.0908(5) 0.8832(4) 0.1556(2) 0.0568(13) Uani 1 1 d . . .
O73 O 0.2249(4) 0.9541(4) 0.2419(2) 0.0433(10) Uani 1 1 d . . .
O81 O 0.9614(5) 0.3764(4) 0.2651(2) 0.0493(11) Uani 1 1 d . . .
O82 O 0.7883(4) 0.4291(4) 0.2617(2) 0.0440(10) Uani 1 1 d . . .
O83 O 0.8750(5) 0.3711(4) 0.3416(2) 0.0508(12) Uani 1 1 d . . .
O91 O 0.6835(4) 0.1029(4) 0.5224(2) 0.0508(12) Uani 1 1 d . . .
O92 O 0.8103(4) 0.2521(4) 0.5624(2) 0.0403(10) Uani 1 1 d . . .
O93 O 0.8762(4) 0.1013(4) 0.5315(2) 0.0422(10) Uani 1 1 d . . .
O1W O 0.2014(4) 0.3666(4) 0.3376(2) 0.0467(11) Uani 1 1 d . . .
H1X H 0.2573 0.3255 0.3184 0.056 Uiso 1 1 d R . .
H1Y H 0.1262 0.3177 0.3331 0.056 Uiso 1 1 d R . .
O2W O 0.1327(4) 0.5408(4) 0.4153(2) 0.0496(11) Uani 1 1 d . . .
H2X H 0.1618 0.6012 0.3990 0.060 Uiso 1 1 d R . .
H2Y H 0.0697 0.4894 0.3821 0.060 Uiso 1 1 d R . .
O3W O 0.1740(4) 0.4548(4) 0.5262(2) 0.0475(11) Uani 1 1 d . . .
H3X H 0.1186 0.3858 0.5161 0.057 Uiso 1 1 d R . .
H3Y H 0.2268 0.4670 0.5687 0.057 Uiso 1 1 d R . .
O4W O 0.8806(5) 0.6285(4) 0.8372(2) 0.0470(11) Uani 1 1 d . . .
H4X H 0.9491 0.6440 0.8194 0.056 Uiso 1 1 d R . .
H4Y H 0.8344 0.5565 0.8148 0.056 Uiso 1 1 d R . .
O5W O 0.7532(4) 0.6767(4) 0.9296(2) 0.0509(12) Uani 1 1 d . . .
H5X H 0.7428 0.7232 0.9679 0.061 Uiso 1 1 d R . .
H5Y H 0.6936 0.6098 0.9171 0.061 Uiso 1 1 d R . .
O6W O 0.9792(4) 0.8100(4) 1.0253(2) 0.0470(11) Uani 1 1 d . . .
H6X H 1.0183 0.8006 1.0652 0.056 Uiso 1 1 d R . .
H6Y H 1.0174 0.8619 1.0226 0.056 Uiso 1 1 d R . .
O7W O 0.1282(9) 0.5166(8) 0.2757(5) 0.052(2) Uani 0.50 1 d P . .
H7X H 0.1282 0.5862 0.2873 0.063 Uiso 0.50 1 d PR . .
H7Y H 0.1932 0.5023 0.2997 0.063 Uiso 0.50 1 d PR . .
O8W O 0.6433(9) 0.6483(7) 0.7548(4) 0.047(2) Uani 0.50 1 d P . .
H8X H 0.5964 0.6155 0.7728 0.056 Uiso 0.50 1 d PR . .
H8Y H 0.6628 0.7167 0.7741 0.056 Uiso 0.50 1 d PR . .
O9W O 0.0956(9) 0.7150(8) 0.2192(5) 0.052(2) Uani 0.50 1 d P . .
H9X H 0.0173 0.7128 0.2055 0.062 Uiso 0.50 1 d PR . .
H9Y H 0.1299 0.7821 0.2354 0.062 Uiso 0.50 1 d PR . .
O10W O 0.9139(9) 0.6221(9) 0.3828(4) 0.054(3) Uani 0.50 1 d P . .
H10X H 0.8513 0.5927 0.3515 0.065 Uiso 0.50 1 d PR . .
H10Y H 0.9163 0.6924 0.3919 0.065 Uiso 0.50 1 d PR . .
O11W O 0.5063(9) 0.5152(6) 0.9165(4) 0.044(2) Uani 0.50 1 d P . .
H11X H 0.4608 0.4747 0.8813 0.052 Uiso 0.50 1 d PR . .
H11Y H 0.5454 0.4745 0.9382 0.052 Uiso 0.50 1 d PR . .
O12W O 0.3559(9) 0.6906(8) 0.9545(4) 0.049(2) Uani 0.50 1 d P . .
H12X H 0.3967 0.7343 0.9897 0.059 Uiso 0.50 1 d PR . .
H12Y H 0.2874 0.6609 0.9588 0.059 Uiso 0.50 1 d PR . .
O13W O 0.3967(9) 0.1578(8) 0.0745(5) 0.055(2) Uani 0.50 1 d P . .
H13X H 0.4085 0.1632 0.0387 0.066 Uiso 0.50 1 d PR . .
H13Y H 0.4347 0.1071 0.0871 0.066 Uiso 0.50 1 d PR . .
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'
Co Co 0.3494 0.9721 '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
_geom_angle_publ_flag
N1 C1 C2 121.7(5) . . ?
N1 C1 H1A 119.2 . . ?
C2 C1 H1A 119.2 . . ?
C3 C2 C1 118.9(6) . . ?
C3 C2 H2A 120.6 . . ?
C1 C2 H2A 120.6 . . ?
C2 C3 C4 117.9(6) . . ?
C2 C3 C11 122.7(6) . . ?
C4 C3 C11 119.3(5) . . ?
C5 C4 C3 120.4(6) . . ?
C5 C4 H4A 119.8 . . ?
C3 C4 H4A 119.8 . . ?
C4 C5 N1 124.1(5) . . ?
C4 C5 C6 126.8(6) . . ?
N1 C5 C6 108.9(5) . . ?
N2 C6 C7 119.8(5) . . ?
N2 C6 C5 118.0(5) . . ?
C7 C6 C5 122.2(5) . . ?
C6 C7 C8 119.6(5) . . ?
C6 C7 H7A 120.2 . . ?
C8 C7 H7A 120.2 . . ?
C9 C8 C7 116.0(6) . . ?
C9 C8 C12 124.6(6) . . ?
C7 C8 C12 119.3(5) . . ?
C8 C9 C10 123.4(6) . . ?
C8 C9 H9A 118.3 . . ?
C10 C9 H9A 118.3 . . ?
N2 C10 C9 121.0(5) . . ?
N2 C10 H10E 119.5 . . ?
C9 C10 H10E 119.5 . . ?
O1 C11 O2 122.2(5) . . ?
O1 C11 C3 115.2(5) . . ?
O2 C11 C3 122.5(5) . . ?
O4 C12 O3 127.4(6) . . ?
O4 C12 C8 114.5(5) . . ?
O3 C12 C8 118.0(6) . . ?
C14 C13 N3 122.0(5) . . ?
C14 C13 H13E 119.0 . . ?
N3 C13 H13E 119.0 . . ?
C13 C14 C15 120.3(6) . . ?
C13 C14 H14E 119.8 . . ?
C15 C14 H14E 119.8 . . ?
C16 C15 C14 119.9(6) . . ?
C16 C15 C23 120.6(6) . . ?
C14 C15 C23 119.4(5) . . ?
C15 C16 C17 117.4(6) . . ?
C15 C16 H16E 121.3 . . ?
C17 C16 H16E 121.3 . . ?
N3 C17 C16 125.3(5) . . ?
N3 C17 C18 112.2(5) . . ?
C16 C17 C18 122.2(6) . . ?
C19 C18 N4 121.4(5) . . ?
C19 C18 C17 124.1(5) . . ?
N4 C18 C17 113.6(5) . . ?
C20 C19 C18 118.9(6) . . ?
C20 C19 H19E 120.5 . . ?
C18 C19 H19E 120.5 . . ?
C21 C20 C19 121.0(5) . . ?
C21 C20 C24 122.8(6) . . ?
C19 C20 C24 115.4(6) . . ?
C20 C21 C22 115.6(5) . . ?
C20 C21 H21D 122.2 . . ?
C22 C21 H21D 122.2 . . ?
N4 C22 C21 130.6(5) . . ?
N4 C22 H22C 114.7 . . ?
C21 C22 H22C 114.7 . . ?
O5 C23 O6 122.1(5) . . ?
O5 C23 C15 122.9(6) . . ?
O6 C23 C15 114.7(5) . . ?
O7 C24 O8 123.2(5) . . ?
O7 C24 C20 122.6(5) . . ?
O8 C24 C20 114.1(5) . . ?
N5 C25 C26 122.3(5) . . ?
N5 C25 H25E 118.9 . . ?
C26 C25 H25E 118.9 . . ?
C27 C26 C25 117.5(6) . . ?
C27 C26 H26A 121.3 . . ?
C25 C26 H26A 121.3 . . ?
C26 C27 C28 121.8(6) . . ?
C26 C27 C35 121.4(6) . . ?
C28 C27 C35 116.8(5) . . ?
C29 C28 C27 116.2(6) . . ?
C29 C28 H28A 121.9 . . ?
C27 C28 H28A 121.9 . . ?
C28 C29 N5 121.5(5) . . ?
C28 C29 C30 123.3(5) . . ?
N5 C29 C30 115.0(5) . . ?
C31 C30 N6 120.1(5) . . ?
C31 C30 C29 125.9(6) . . ?
N6 C30 C29 114.0(5) . . ?
C30 C31 C32 121.0(6) . . ?
C30 C31 H31A 119.5 . . ?
C32 C31 H31A 119.5 . . ?
C33 C32 C31 116.0(6) . . ?
C33 C32 C36 118.6(6) . . ?
C31 C32 C36 125.4(6) . . ?
C34 C33 C32 122.9(6) . . ?
C34 C33 H33A 118.5 . . ?
C32 C33 H33A 118.5 . . ?
N6 C34 C33 119.3(5) . . ?
N6 C34 H34A 120.4 . . ?
C33 C34 H34A 120.4 . . ?
O9 C35 O10 122.1(5) . . ?
O9 C35 C27 117.7(5) . . ?
O10 C35 C27 119.9(5) . . ?
O12 C36 O11 124.9(5) . . ?
O12 C36 C32 121.4(6) . . ?
O11 C36 C32 112.1(5) . . ?
N1 Co1 N4 91.2(2) . . ?
N1 Co1 N3 175.3(2) . . ?
N4 Co1 N3 84.9(2) . . ?
N1 Co1 N2 84.1(2) . . ?
N4 Co1 N2 86.2(2) . . ?
N3 Co1 N2 92.9(2) . . ?
N1 Co1 N6 90.4(2) . . ?
N4 Co1 N6 178.1(2) . . ?
N3 Co1 N6 93.5(2) . . ?
N2 Co1 N6 95.0(2) . . ?
N1 Co1 N5 97.9(2) . . ?
N4 Co1 N5 93.9(2) . . ?
N3 Co1 N5 85.1(2) . . ?
N2 Co1 N5 178.0(2) . . ?
N6 Co1 N5 84.9(2) . . ?
O1 Gd1 O12 74.74(15) . 2_656 ?
O1 Gd1 O2 119.14(15) . 2_666 ?
O12 Gd1 O2 78.31(16) 2_656 2_666 ?
O1 Gd1 O10 85.14(15) . 2_556 ?
O12 Gd1 O10 84.76(15) 2_656 2_556 ?
O2 Gd1 O10 144.60(15) 2_666 2_556 ?
O1 Gd1 O2W 145.36(16) . . ?
O12 Gd1 O2W 139.56(16) 2_656 . ?
O2 Gd1 O2W 74.88(16) 2_666 . ?
O10 Gd1 O2W 100.17(15) 2_556 . ?
O1 Gd1 O11 74.72(15) . 1_565 ?
O12 Gd1 O11 121.34(16) 2_656 1_565 ?
O2 Gd1 O11 74.81(15) 2_666 1_565 ?
O10 Gd1 O11 139.76(15) 2_556 1_565 ?
O2W Gd1 O11 79.74(16) . 1_565 ?
O1 Gd1 O3W 77.05(16) . . ?
O12 Gd1 O3W 143.88(16) 2_656 . ?
O2 Gd1 O3W 136.09(15) 2_666 . ?
O10 Gd1 O3W 70.73(15) 2_556 . ?
O2W Gd1 O3W 72.69(16) . . ?
O11 Gd1 O3W 70.97(15) 1_565 . ?
O1 Gd1 O1W 142.16(16) . . ?
O12 Gd1 O1W 74.57(16) 2_656 . ?
O2 Gd1 O1W 75.07(15) 2_666 . ?
O10 Gd1 O1W 70.51(15) 2_556 . ?
O2W Gd1 O1W 69.64(16) . . ?
O11 Gd1 O1W 141.50(15) 1_565 . ?
O3W Gd1 O1W 118.64(16) . . ?
O4 Gd2 O7 74.41(15) 2_767 2_667 ?
O4 Gd2 O5 76.83(15) 2_767 1_665 ?
O7 Gd2 O5 144.27(16) 2_667 1_665 ?
O4 Gd2 O3 119.92(15) 2_767 . ?
O7 Gd2 O3 74.35(15) 2_667 . ?
O5 Gd2 O3 139.77(16) 1_665 . ?
O4 Gd2 O5W 142.38(17) 2_767 . ?
O7 Gd2 O5W 81.39(16) 2_667 . ?
O5 Gd2 O5W 110.53(15) 1_665 . ?
O3 Gd2 O5W 79.15(16) . . ?
O4 Gd2 O8 76.80(16) 2_767 1_655 ?
O7 Gd2 O8 120.80(14) 2_667 1_655 ?
O5 Gd2 O8 71.48(14) 1_665 1_655 ?
O3 Gd2 O8 77.24(15) . 1_655 ?
O5W Gd2 O8 140.82(17) . 1_655 ?
O4 Gd2 O4W 141.36(16) 2_767 . ?
O7 Gd2 O4W 143.67(16) 2_667 . ?
O5 Gd2 O4W 69.41(16) 1_665 . ?
O3 Gd2 O4W 78.68(15) . . ?
O5W Gd2 O4W 69.87(17) . . ?
O8 Gd2 O4W 75.12(15) 1_655 . ?
O4 Gd2 O6W 70.32(16) 2_767 . ?
O7 Gd2 O6W 75.57(15) 2_667 . ?
O5 Gd2 O6W 75.10(15) 1_665 . ?
O3 Gd2 O6W 143.33(15) . . ?
O5W Gd2 O6W 76.06(16) . . ?
O8 Gd2 O6W 137.34(15) 1_655 . ?
O4W Gd2 O6W 116.45(15) . . ?
C5 N1 C1 116.7(4) . . ?
C5 N1 Co1 116.9(3) . . ?
C1 N1 Co1 126.3(3) . . ?
C6 N2 C10 119.9(4) . . ?
C6 N2 Co1 109.9(3) . . ?
C10 N2 Co1 128.5(3) . . ?
C17 N3 C13 115.0(4) . . ?
C17 N3 Co1 115.6(3) . . ?
C13 N3 Co1 128.9(3) . . ?
C22 N4 C18 112.2(4) . . ?
C22 N4 Co1 135.3(4) . . ?
C18 N4 Co1 112.4(3) . . ?
C25 N5 C29 120.3(4) . . ?
C25 N5 Co1 126.5(3) . . ?
C29 N5 Co1 112.9(3) . . ?
C34 N6 C30 120.6(4) . . ?
C34 N6 Co1 127.0(3) . . ?
C30 N6 Co1 112.5(3) . . ?
O73 N7 O71 120.9(6) . . ?
O73 N7 O72 118.7(6) . . ?
O71 N7 O72 120.4(6) . . ?
O82 N8 O83 120.5(6) . . ?
O82 N8 O81 117.1(6) . . ?
O83 N8 O81 121.9(6) . . ?
O91 N9 O93 120.8(6) . . ?
O91 N9 O92 120.5(5) . . ?
O93 N9 O92 118.7(5) . . ?
C11 O1 Gd1 176.5(3) . . ?
C11 O2 Gd1 121.8(3) . 2_666 ?
C12 O3 Gd2 142.2(3) . . ?
C12 O4 Gd2 142.8(3) . 2_767 ?
C23 O5 Gd2 140.0(3) . 1_445 ?
C24 O7 Gd2 178.0(3) . 2_667 ?
C24 O8 Gd2 116.0(3) . 1_455 ?
C35 O10 Gd1 144.2(3) . 2_556 ?
C36 O11 Gd1 140.8(3) . 1_545 ?
C36 O12 Gd1 144.1(3) . 2_656 ?
Gd1 O1W H1X 109.6 . . ?
Gd1 O1W H1Y 109.4 . . ?
H1X O1W H1Y 109.5 . . ?
Gd1 O2W H2X 109.7 . . ?
Gd1 O2W H2Y 109.0 . . ?
H2X O2W H2Y 109.5 . . ?
Gd1 O3W H3X 109.4 . . ?
Gd1 O3W H3Y 109.4 . . ?
H3X O3W H3Y 109.5 . . ?
Gd2 O4W H4X 109.6 . . ?
Gd2 O4W H4Y 109.5 . . ?
H4X O4W H4Y 109.5 . . ?
Gd2 O5W H5X 109.1 . . ?
Gd2 O5W H5Y 109.8 . . ?
H5X O5W H5Y 109.5 . . ?
Gd2 O6W H6X 106.7 . . ?
Gd2 O6W H6Y 121.1 . . ?
H6X O6W H6Y 103.6 . . ?
H7X O7W H7Y 106.5 . . ?
H8X O8W H8Y 109.5 . . ?
H9X O9W H9Y 109.5 . . ?
H10X O10W H10Y 109.5 . . ?
H11X O11W H11Y 109.5 . . ?
H12X O12W H12Y 109.5 . . ?
H13X O13W H13Y 109.5 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 N1 1.393(6) . ?
C1 C2 1.447(9) . ?
C1 H1A 0.9300 . ?
C2 C3 1.344(9) . ?
C2 H2A 0.9300 . ?
C3 C4 1.452(8) . ?
C3 C11 1.519(8) . ?
C4 C5 1.335(9) . ?
C4 H4A 0.9300 . ?
C5 N1 1.346(6) . ?
C5 C6 1.458(9) . ?
C6 N2 1.321(6) . ?
C6 C7 1.427(8) . ?
C7 C8 1.450(8) . ?
C7 H7A 0.9300 . ?
C8 C9 1.302(8) . ?
C8 C12 1.517(9) . ?
C9 C10 1.385(9) . ?
C9 H9A 0.9300 . ?
C10 N2 1.355(7) . ?
C10 H10E 0.9300 . ?
C11 O1 1.256(6) . ?
C11 O2 1.276(6) . ?
C12 O4 1.178(7) . ?
C12 O3 1.202(6) . ?
C13 C14 1.312(8) . ?
C13 N3 1.439(6) . ?
C13 H13E 0.9300 . ?
C14 C15 1.425(8) . ?
C14 H14E 0.9300 . ?
C15 C16 1.355(8) . ?
C15 C23 1.470(9) . ?
C16 C17 1.392(8) . ?
C16 H16E 0.9300 . ?
C17 N3 1.347(6) . ?
C17 C18 1.486(8) . ?
C18 C19 1.406(8) . ?
C18 N4 1.418(6) . ?
C19 C20 1.367(9) . ?
C19 H19E 0.9300 . ?
C20 C21 1.322(9) . ?
C20 C24 1.473(8) . ?
C21 C22 1.399(8) . ?
C21 H21D 0.9300 . ?
C22 N4 1.274(6) . ?
C22 H22C 0.9300 . ?
C23 O5 1.266(7) . ?
C23 O6 1.279(7) . ?
C24 O7 1.225(6) . ?
C24 O8 1.308(6) . ?
C25 N5 1.350(6) . ?
C25 C26 1.401(8) . ?
C25 H25E 0.9300 . ?
C26 C27 1.342(9) . ?
C26 H26A 0.9300 . ?
C27 C28 1.476(8) . ?
C27 C35 1.501(9) . ?
C28 C29 1.369(8) . ?
C28 H28A 0.9300 . ?
C29 N5 1.374(5) . ?
C29 C30 1.465(8) . ?
C30 C31 1.329(9) . ?
C30 N6 1.411(6) . ?
C31 C32 1.427(8) . ?
C31 H31A 0.9300 . ?
C32 C33 1.399(8) . ?
C32 C36 1.497(8) . ?
C33 C34 1.352(9) . ?
C33 H33A 0.9300 . ?
C34 N6 1.349(6) . ?
C34 H34A 0.9300 . ?
C35 O9 1.232(7) . ?
C35 O10 1.263(6) . ?
C36 O12 1.206(7) . ?
C36 O11 1.262(7) . ?
Co1 N1 1.858(5) . ?
Co1 N4 1.902(5) . ?
Co1 N3 1.917(4) . ?
Co1 N2 1.920(5) . ?
Co1 N6 1.943(5) . ?
Co1 N5 1.950(5) . ?
Gd1 O1 2.269(4) . ?
Gd1 O12 2.271(4) 2_656 ?
Gd1 O2 2.283(4) 2_666 ?
Gd1 O10 2.285(4) 2_556 ?
Gd1 O2W 2.377(5) . ?
Gd1 O11 2.410(5) 1_565 ?
Gd1 O3W 2.416(4) . ?
Gd1 O1W 2.456(4) . ?
Gd2 O4 2.314(4) 2_767 ?
Gd2 O7 2.331(4) 2_667 ?
Gd2 O5 2.338(4) 1_665 ?
Gd2 O3 2.374(4) . ?
Gd2 O5W 2.381(4) . ?
Gd2 O8 2.394(4) 1_655 ?
Gd2 O4W 2.427(4) . ?
Gd2 O6W 2.446(5) . ?
N7 O73 1.203(7) . ?
N7 O71 1.218(7) . ?
N7 O72 1.233(7) . ?
N8 O82 1.211(7) . ?
N8 O83 1.221(7) . ?
N8 O81 1.233(7) . ?
N9 O91 1.200(7) . ?
N9 O93 1.229(7) . ?
N9 O92 1.231(7) . ?
O2 Gd1 2.283(4) 2_666 ?
O4 Gd2 2.314(4) 2_767 ?
O5 Gd2 2.338(4) 1_445 ?
O7 Gd2 2.331(4) 2_667 ?
O8 Gd2 2.394(4) 1_455 ?
O10 Gd1 2.285(4) 2_556 ?
O11 Gd1 2.410(5) 1_545 ?
O12 Gd1 2.271(4) 2_656 ?
O1W H1X 0.9601 . ?
O1W H1Y 0.9599 . ?
O2W H2X 0.9600 . ?
O2W H2Y 0.9600 . ?
O3W H3X 0.9599 . ?
O3W H3Y 0.9600 . ?
O4W H4X 0.9599 . ?
O4W H4Y 0.9600 . ?
O5W H5X 0.9600 . ?
O5W H5Y 0.9600 . ?
O6W H6X 0.9275 . ?
O6W H6Y 0.7583 . ?
O7W H7X 0.8499 . ?
O7W H7Y 0.8501 . ?
O8W H8X 0.8501 . ?
O8W H8Y 0.8499 . ?
O9W H9X 0.8500 . ?
O9W H9Y 0.8500 . ?
O10W H10X 0.8501 . ?
O10W H10Y 0.8500 . ?
O11W H11X 0.8500 . ?
O11W H11Y 0.8502 . ?
O12W H12X 0.8501 . ?
O12W H12Y 0.8501 . ?
O13W H13X 0.8499 . ?
O13W H13Y 0.8502 . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N1 C1 C2 C3 -4.9(10) . . . . ?
C1 C2 C3 C4 5.9(9) . . . . ?
C1 C2 C3 C11 -177.2(5) . . . . ?
C2 C3 C4 C5 -2.8(9) . . . . ?
C11 C3 C4 C5 -179.8(5) . . . . ?
C3 C4 C5 N1 -1.9(9) . . . . ?
C3 C4 C5 C6 -178.5(6) . . . . ?
C4 C5 C6 N2 -170.5(5) . . . . ?
N1 C5 C6 N2 12.5(7) . . . . ?
C4 C5 C6 C7 8.1(10) . . . . ?
N1 C5 C6 C7 -168.9(5) . . . . ?
N2 C6 C7 C8 0.4(9) . . . . ?
C5 C6 C7 C8 -178.1(6) . . . . ?
C6 C7 C8 C9 3.0(9) . . . . ?
C6 C7 C8 C12 179.5(6) . . . . ?
C7 C8 C9 C10 -5.6(10) . . . . ?
C12 C8 C9 C10 178.1(6) . . . . ?
C8 C9 C10 N2 5.0(10) . . . . ?
C2 C3 C11 O1 20.2(8) . . . . ?
C4 C3 C11 O1 -162.9(5) . . . . ?
C2 C3 C11 O2 -156.6(6) . . . . ?
C4 C3 C11 O2 20.3(8) . . . . ?
C9 C8 C12 O4 7.2(10) . . . . ?
C7 C8 C12 O4 -169.0(6) . . . . ?
C9 C8 C12 O3 -176.0(6) . . . . ?
C7 C8 C12 O3 7.8(9) . . . . ?
N3 C13 C14 C15 -2.9(9) . . . . ?
C13 C14 C15 C16 2.6(9) . . . . ?
C13 C14 C15 C23 179.3(6) . . . . ?
C14 C15 C16 C17 0.5(8) . . . . ?
C23 C15 C16 C17 -176.2(6) . . . . ?
C15 C16 C17 N3 -3.3(9) . . . . ?
C15 C16 C17 C18 -177.1(6) . . . . ?
N3 C17 C18 C19 -178.1(5) . . . . ?
C16 C17 C18 C19 -3.5(10) . . . . ?
N3 C17 C18 N4 12.1(7) . . . . ?
C16 C17 C18 N4 -173.4(5) . . . . ?
N4 C18 C19 C20 -2.9(9) . . . . ?
C17 C18 C19 C20 -172.0(6) . . . . ?
C18 C19 C20 C21 6.0(10) . . . . ?
C18 C19 C20 C24 176.0(6) . . . . ?
C19 C20 C21 C22 -5.0(10) . . . . ?
C24 C20 C21 C22 -174.2(6) . . . . ?
C20 C21 C22 N4 0.8(10) . . . . ?
C16 C15 C23 O5 150.3(6) . . . . ?
C14 C15 C23 O5 -26.4(9) . . . . ?
C16 C15 C23 O6 -24.9(8) . . . . ?
C14 C15 C23 O6 158.4(5) . . . . ?
C21 C20 C24 O7 179.6(6) . . . . ?
C19 C20 C24 O7 9.9(9) . . . . ?
C21 C20 C24 O8 3.9(9) . . . . ?
C19 C20 C24 O8 -165.9(5) . . . . ?
N5 C25 C26 C27 7.0(9) . . . . ?
C25 C26 C27 C28 -7.2(9) . . . . ?
C25 C26 C27 C35 170.9(6) . . . . ?
C26 C27 C28 C29 4.6(9) . . . . ?
C35 C27 C28 C29 -173.5(6) . . . . ?
C27 C28 C29 N5 -1.5(8) . . . . ?
C27 C28 C29 C30 -175.9(6) . . . . ?
C28 C29 C30 C31 3.6(10) . . . . ?
N5 C29 C30 C31 -171.2(6) . . . . ?
C28 C29 C30 N6 -176.6(5) . . . . ?
N5 C29 C30 N6 8.7(7) . . . . ?
N6 C30 C31 C32 -0.5(9) . . . . ?
C29 C30 C31 C32 179.3(6) . . . . ?
C30 C31 C32 C33 2.7(9) . . . . ?
C30 C31 C32 C36 -178.6(6) . . . . ?
C31 C32 C33 C34 -2.0(9) . . . . ?
C36 C32 C33 C34 179.2(6) . . . . ?
C32 C33 C34 N6 -1.0(9) . . . . ?
C26 C27 C35 O9 20.0(10) . . . . ?
C28 C27 C35 O9 -161.8(5) . . . . ?
C26 C27 C35 O10 -165.9(6) . . . . ?
C28 C27 C35 O10 12.2(9) . . . . ?
C33 C32 C36 O12 18.6(10) . . . . ?
C31 C32 C36 O12 -160.0(6) . . . . ?
C33 C32 C36 O11 -175.3(5) . . . . ?
C31 C32 C36 O11 6.0(9) . . . . ?
C4 C5 N1 C1 3.1(7) . . . . ?
C6 C5 N1 C1 -179.8(5) . . . . ?
C4 C5 N1 Co1 -178.9(5) . . . . ?
C6 C5 N1 Co1 -1.8(5) . . . . ?
C2 C1 N1 C5 0.4(8) . . . . ?
C2 C1 N1 Co1 -177.5(4) . . . . ?
N4 Co1 N1 C5 80.6(4) . . . . ?
N2 Co1 N1 C5 -5.4(4) . . . . ?
N6 Co1 N1 C5 -100.4(4) . . . . ?
N5 Co1 N1 C5 174.7(3) . . . . ?
N4 Co1 N1 C1 -101.5(4) . . . . ?
N2 Co1 N1 C1 172.4(4) . . . . ?
N6 Co1 N1 C1 77.4(4) . . . . ?
N5 Co1 N1 C1 -7.4(4) . . . . ?
C7 C6 N2 C10 -1.4(8) . . . . ?
C5 C6 N2 C10 177.2(5) . . . . ?
C7 C6 N2 Co1 164.8(5) . . . . ?
C5 C6 N2 Co1 -16.6(6) . . . . ?
C9 C10 N2 C6 -1.1(7) . . . . ?
C9 C10 N2 Co1 -164.4(4) . . . . ?
N1 Co1 N2 C6 11.8(3) . . . . ?
N4 Co1 N2 C6 -79.8(3) . . . . ?
N3 Co1 N2 C6 -164.5(3) . . . . ?
N6 Co1 N2 C6 101.7(3) . . . . ?
N1 Co1 N2 C10 176.5(4) . . . . ?
N4 Co1 N2 C10 84.9(4) . . . . ?
N3 Co1 N2 C10 0.1(4) . . . . ?
N6 Co1 N2 C10 -93.6(4) . . . . ?
C16 C17 N3 C13 2.9(7) . . . . ?
C18 C17 N3 C13 177.3(4) . . . . ?
C16 C17 N3 Co1 176.3(5) . . . . ?
C18 C17 N3 Co1 -9.4(5) . . . . ?
C14 C13 N3 C17 0.3(7) . . . . ?
C14 C13 N3 Co1 -171.9(4) . . . . ?
N4 Co1 N3 C17 3.6(3) . . . . ?
N2 Co1 N3 C17 89.6(3) . . . . ?
N6 Co1 N3 C17 -175.3(3) . . . . ?
N5 Co1 N3 C17 -90.7(3) . . . . ?
N4 Co1 N3 C13 175.8(4) . . . . ?
N2 Co1 N3 C13 -98.2(4) . . . . ?
N6 Co1 N3 C13 -3.0(4) . . . . ?
N5 Co1 N3 C13 81.5(4) . . . . ?
C21 C22 N4 C18 2.1(8) . . . . ?
C21 C22 N4 Co1 180.0(5) . . . . ?
C19 C18 N4 C22 -0.9(7) . . . . ?
C17 C18 N4 C22 169.2(5) . . . . ?
C19 C18 N4 Co1 -179.3(5) . . . . ?
C17 C18 N4 Co1 -9.2(5) . . . . ?
N1 Co1 N4 C22 8.1(5) . . . . ?
N3 Co1 N4 C22 -174.5(5) . . . . ?
N2 Co1 N4 C22 92.2(5) . . . . ?
N5 Co1 N4 C22 -89.9(5) . . . . ?
N1 Co1 N4 C18 -173.9(3) . . . . ?
N3 Co1 N4 C18 3.4(3) . . . . ?
N2 Co1 N4 C18 -89.9(3) . . . . ?
N5 Co1 N4 C18 88.1(3) . . . . ?
C26 C25 N5 C29 -4.0(7) . . . . ?
C26 C25 N5 Co1 -176.7(4) . . . . ?
C28 C29 N5 C25 1.3(7) . . . . ?
C30 C29 N5 C25 176.2(4) . . . . ?
C28 C29 N5 Co1 174.9(4) . . . . ?
C30 C29 N5 Co1 -10.2(5) . . . . ?
N1 Co1 N5 C25 -90.3(4) . . . . ?
N4 Co1 N5 C25 1.5(4) . . . . ?
N3 Co1 N5 C25 86.1(4) . . . . ?
N6 Co1 N5 C25 -180.0(4) . . . . ?
N1 Co1 N5 C29 96.5(3) . . . . ?
N4 Co1 N5 C29 -171.7(3) . . . . ?
N3 Co1 N5 C29 -87.1(3) . . . . ?
N6 Co1 N5 C29 6.9(3) . . . . ?
C33 C34 N6 C30 3.3(8) . . . . ?
C33 C34 N6 Co1 -176.2(4) . . . . ?
C31 C30 N6 C34 -2.5(8) . . . . ?
C29 C30 N6 C34 177.6(5) . . . . ?
C31 C30 N6 Co1 177.0(5) . . . . ?
C29 C30 N6 Co1 -2.9(6) . . . . ?
N1 Co1 N6 C34 79.6(4) . . . . ?
N3 Co1 N6 C34 -97.8(4) . . . . ?
N2 Co1 N6 C34 -4.6(4) . . . . ?
N5 Co1 N6 C34 177.5(4) . . . . ?
N1 Co1 N6 C30 -99.9(3) . . . . ?
N3 Co1 N6 C30 82.7(3) . . . . ?
N2 Co1 N6 C30 175.9(3) . . . . ?
N5 Co1 N6 C30 -2.0(3) . . . . ?
O1 C11 O2 Gd1 4.3(6) . . . 2_666 ?
C3 C11 O2 Gd1 -179.1(4) . . . 2_666 ?
O4 C12 O3 Gd2 -23.7(12) . . . . ?
C8 C12 O3 Gd2 160.1(3) . . . . ?
O4 Gd2 O3 C12 38.7(6) 2_767 . . . ?
O7 Gd2 O3 C12 -22.4(6) 2_667 . . . ?
O5 Gd2 O3 C12 144.6(6) 1_665 . . . ?
O5W Gd2 O3 C12 -106.4(6) . . . . ?
O8 Gd2 O3 C12 105.1(6) 1_655 . . . ?
O4W Gd2 O3 C12 -177.8(6) . . . . ?
O6W Gd2 O3 C12 -58.3(6) . . . . ?
O3 C12 O4 Gd2 -15.3(12) . . . 2_767 ?
C8 C12 O4 Gd2 161.1(4) . . . 2_767 ?
O6 C23 O5 Gd2 13.8(9) . . . 1_445 ?
C15 C23 O5 Gd2 -161.0(3) . . . 1_445 ?
O7 C24 O8 Gd2 -8.5(6) . . . 1_455 ?
C20 C24 O8 Gd2 167.2(4) . . . 1_455 ?
O9 C35 O10 Gd1 -47.3(9) . . . 2_556 ?
C27 C35 O10 Gd1 138.9(4) . . . 2_556 ?
O12 C36 O11 Gd1 -0.7(11) . . . 1_545 ?
C32 C36 O11 Gd1 -166.1(3) . . . 1_545 ?
O11 C36 O12 Gd1 38.6(11) . . . 2_656 ?
C32 C36 O12 Gd1 -157.2(4) . . . 2_656 ?
