#------------------------------------------------------------------------------
#$Date: 2016-03-24 17:31:00 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179688 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/10/7001099.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_7001099
loop_
_publ_author_name
'Zhang, Jie'
'Ma, Liping'
'Han, Yanan'
'Zhang, Fuyan Han Zhengxing'
'Cai, Ruifang'
'Chen, Zhenxia'
'Zhou, Xigeng'
_publ_section_title
;
 Facile construction of the guanidine substituent or guanidinate
 anionic ligand through addition of the adjacent amino group to
 carbodiimide
;
_journal_issue                   17
_journal_name_full               'Dalton Transactions'
_journal_page_first              3298
_journal_page_last               3305
_journal_paper_doi               10.1039/b813711k
_journal_year                    2009
_chemical_formula_sum            'C32 H32 Gd2 N2 S2'
_chemical_formula_weight         823.22
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 111.808(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.413(6)
_cell_length_b                   10.823(4)
_cell_length_c                   17.526(6)
_cell_measurement_reflns_used    942
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.030
_cell_measurement_theta_min      2.905
_cell_volume                     2890.5(18)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_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  0.0327
_diffrn_reflns_av_sigmaI/netI    0.0431
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            11749
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.45
_diffrn_standards_decay_%        6.92
_exptl_absorpt_coefficient_mu    4.718
_exptl_absorpt_correction_T_max  0.6498
_exptl_absorpt_correction_T_min  0.5380
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.892
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1592
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.460
_refine_diff_density_min         -0.661
_refine_diff_density_rms         0.117
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.950
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     343
_refine_ls_number_reflns         5077
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.950
_refine_ls_R_factor_all          0.0595
_refine_ls_R_factor_gt           0.0333
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0383P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0684
_refine_ls_wR_factor_ref         0.0765
_reflns_number_gt                3556
_reflns_number_total             5077
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b813711k.txt
_cod_data_source_block           f60509b
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               7001099
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
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
Gd1 Gd 0.381820(18) 0.11440(3) 0.199307(18) 0.03778(10) Uani 1 1 d . . .
Gd2 Gd 0.611627(18) 0.37819(3) 0.279421(19) 0.04166(10) Uani 1 1 d . . .
S1 S 0.53997(11) 0.16152(15) 0.33390(10) 0.0486(4) Uani 1 1 d . . .
S2 S 0.47760(12) 0.28826(15) 0.13617(11) 0.0531(4) Uani 1 1 d . . .
N1 N 0.4003(3) -0.0074(4) 0.3289(3) 0.0448(13) Uani 1 1 d . . .
H1B H 0.3496 -0.0458 0.3227 0.054 Uiso 1 1 calc R . .
H1C H 0.4419 -0.0655 0.3370 0.054 Uiso 1 1 calc R . .
N2 N 0.5949(3) 0.4936(4) 0.1482(3) 0.0514(14) Uani 1 1 d . . .
H2B H 0.6272 0.5632 0.1612 0.062 Uiso 1 1 calc R . .
H2C H 0.6161 0.4464 0.1175 0.062 Uiso 1 1 calc R . .
C1 C 0.3567(8) -0.0056(7) 0.0609(5) 0.084(3) Uani 1 1 d . . .
H1A H 0.3265 0.0281 0.0057 0.101 Uiso 1 1 calc R . .
C2 C 0.3185(5) -0.0800(7) 0.1019(6) 0.076(2) Uani 1 1 d . . .
H2A H 0.2573 -0.1080 0.0808 0.091 Uiso 1 1 calc R . .
C3 C 0.3850(6) -0.1282(6) 0.1678(5) 0.067(2) Uani 1 1 d . . .
H3A H 0.3784 -0.1947 0.2030 0.081 Uiso 1 1 calc R . .
C4 C 0.4621(6) -0.0858(7) 0.1678(6) 0.078(3) Uani 1 1 d . . .
H4A H 0.5201 -0.1165 0.2030 0.094 Uiso 1 1 calc R . .
C5 C 0.4456(7) -0.0091(7) 0.1012(7) 0.088(3) Uani 1 1 d . . .
H5A H 0.4892 0.0219 0.0800 0.105 Uiso 1 1 calc R . .
C6 C 0.2437(4) 0.1675(7) 0.2428(5) 0.060(2) Uani 1 1 d . . .
H6A H 0.2274 0.1208 0.2829 0.072 Uiso 1 1 calc R . .
C7 C 0.2080(4) 0.1504(6) 0.1592(5) 0.061(2) Uani 1 1 d . . .
H7A H 0.1616 0.0913 0.1301 0.073 Uiso 1 1 calc R . .
C8 C 0.2371(4) 0.2468(6) 0.1231(5) 0.0565(18) Uani 1 1 d . . .
H8A H 0.2136 0.2670 0.0643 0.068 Uiso 1 1 calc R . .
C9 C 0.2906(4) 0.3243(6) 0.1855(5) 0.0533(18) Uani 1 1 d . . .
H9A H 0.3105 0.4069 0.1774 0.064 Uiso 1 1 calc R . .
C10 C 0.2951(4) 0.2752(6) 0.2604(5) 0.0577(19) Uani 1 1 d . . .
H10A H 0.3193 0.3167 0.3139 0.069 Uiso 1 1 calc R . .
C11 C 0.4245(4) 0.0721(5) 0.3985(4) 0.0440(15) Uani 1 1 d . . .
C12 C 0.3838(5) 0.0693(6) 0.4550(4) 0.0572(18) Uani 1 1 d . . .
H12A H 0.3392 0.0124 0.4484 0.069 Uiso 1 1 calc R . .
C13 C 0.4079(5) 0.1484(6) 0.5201(4) 0.0610(19) Uani 1 1 d . . .
H13A H 0.3791 0.1466 0.5569 0.073 Uiso 1 1 calc R . .
C14 C 0.4744(5) 0.2304(6) 0.5310(4) 0.0585(19) Uani 1 1 d . . .
H14A H 0.4920 0.2831 0.5761 0.070 Uiso 1 1 calc R . .
C15 C 0.5154(4) 0.2355(6) 0.4755(4) 0.0527(17) Uani 1 1 d . . .
H15A H 0.5607 0.2919 0.4837 0.063 Uiso 1 1 calc R . .
C16 C 0.4909(4) 0.1587(5) 0.4079(4) 0.0451(15) Uani 1 1 d . . .
C17 C 0.7220(6) 0.2342(10) 0.2352(7) 0.095(3) Uani 1 1 d . . .
H17A H 0.7066 0.1864 0.1843 0.113 Uiso 1 1 calc R . .
C18 C 0.7254(7) 0.1904(8) 0.3096(10) 0.107(4) Uani 1 1 d . . .
H18A H 0.7130 0.1050 0.3205 0.129 Uiso 1 1 calc R . .
C19 C 0.7657(6) 0.2750(11) 0.3677(7) 0.099(3) Uani 1 1 d . . .
H19A H 0.7873 0.2602 0.4271 0.119 Uiso 1 1 calc R . .
C20 C 0.7879(5) 0.3728(8) 0.3311(7) 0.081(3) Uani 1 1 d . . .
H20A H 0.8275 0.4401 0.3597 0.098 Uiso 1 1 calc R . .
C21 C 0.7609(6) 0.3480(9) 0.2500(7) 0.083(3) Uani 1 1 d . . .
H21A H 0.7770 0.3960 0.2102 0.100 Uiso 1 1 calc R . .
C22 C 0.5205(4) 0.4852(6) 0.3598(4) 0.0511(17) Uani 1 1 d . . .
H22A H 0.4748 0.4451 0.3746 0.061 Uiso 1 1 calc R . .
C23 C 0.6079(5) 0.4963(6) 0.4107(4) 0.0539(18) Uani 1 1 d . . .
H23A H 0.6337 0.4661 0.4674 0.065 Uiso 1 1 calc R . .
C24 C 0.6480(5) 0.5810(5) 0.3740(4) 0.0536(18) Uani 1 1 d . . .
H24A H 0.7063 0.6177 0.4007 0.064 Uiso 1 1 calc R . .
C25 C 0.5841(5) 0.6210(5) 0.3006(4) 0.0514(16) Uani 1 1 d . . .
H25A H 0.5908 0.6890 0.2664 0.062 Uiso 1 1 calc R . .
C26 C 0.5055(4) 0.5622(5) 0.2915(4) 0.0499(17) Uani 1 1 d . . .
H26A H 0.4478 0.5825 0.2501 0.060 Uiso 1 1 calc R . .
C27 C 0.5058(4) 0.5253(6) 0.1005(4) 0.0468(16) Uani 1 1 d . . .
C28 C 0.4806(5) 0.6417(6) 0.0661(4) 0.0587(19) Uani 1 1 d . . .
H28A H 0.5229 0.7024 0.0732 0.070 Uiso 1 1 calc R . .
C29 C 0.3958(6) 0.6673(7) 0.0228(4) 0.064(2) Uani 1 1 d . . .
H29A H 0.3798 0.7463 0.0016 0.076 Uiso 1 1 calc R . .
C30 C 0.3337(5) 0.5795(7) 0.0097(5) 0.070(2) Uani 1 1 d . . .
H30A H 0.2754 0.5978 -0.0212 0.084 Uiso 1 1 calc R . .
C31 C 0.3568(5) 0.4617(7) 0.0422(4) 0.0600(19) Uani 1 1 d . . .
H31A H 0.3136 0.4014 0.0317 0.072 Uiso 1 1 calc R . .
C32 C 0.4424(4) 0.4326(6) 0.0897(4) 0.0487(16) Uani 1 1 d . . .
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'
S S 0.1246 0.1234 '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'
N N 0.0061 0.0033 '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 Gd1 C1 119.4(2) . . ?
N1 Gd1 C2 93.0(2) . . ?
C1 Gd1 C2 30.0(2) . . ?
N1 Gd1 C8 120.92(19) . . ?
C1 Gd1 C8 89.9(3) . . ?
C2 Gd1 C8 92.3(2) . . ?
N1 Gd1 C5 111.7(3) . . ?
C1 Gd1 C5 29.7(3) . . ?
C2 Gd1 C5 49.2(2) . . ?
C8 Gd1 C5 115.7(3) . . ?
N1 Gd1 C9 113.38(19) . . ?
C1 Gd1 C9 116.2(3) . . ?
C2 Gd1 C9 122.6(3) . . ?
C8 Gd1 C9 30.31(19) . . ?
C5 Gd1 C9 134.6(3) . . ?
N1 Gd1 C3 70.9(2) . . ?
C1 Gd1 C3 48.7(2) . . ?
C2 Gd1 C3 29.5(2) . . ?
C8 Gd1 C3 120.2(3) . . ?
C5 Gd1 C3 48.6(2) . . ?
C9 Gd1 C3 149.5(3) . . ?
N1 Gd1 C4 82.0(3) . . ?
C1 Gd1 C4 48.7(3) . . ?
C2 Gd1 C4 48.6(2) . . ?
C8 Gd1 C4 137.8(2) . . ?
C5 Gd1 C4 29.7(3) . . ?
C9 Gd1 C4 163.9(3) . . ?
C3 Gd1 C4 29.0(2) . . ?
N1 Gd1 C7 94.1(2) . . ?
C1 Gd1 C7 92.4(3) . . ?
C2 Gd1 C7 79.9(2) . . ?
C8 Gd1 C7 30.09(18) . . ?
C5 Gd1 C7 122.1(3) . . ?
C9 Gd1 C7 49.8(2) . . ?
C3 Gd1 C7 100.7(2) . . ?
C4 Gd1 C7 127.7(2) . . ?
N1 Gd1 C10 83.43(19) . . ?
C1 Gd1 C10 138.8(3) . . ?
C2 Gd1 C10 128.6(2) . . ?
C8 Gd1 C10 49.6(2) . . ?
C5 Gd1 C10 164.3(3) . . ?
C9 Gd1 C10 29.95(19) . . ?
C3 Gd1 C10 139.6(2) . . ?
C4 Gd1 C10 164.9(3) . . ?
C7 Gd1 C10 49.5(2) . . ?
N1 Gd1 C6 72.13(19) . . ?
C1 Gd1 C6 120.1(3) . . ?
C2 Gd1 C6 100.4(2) . . ?
C8 Gd1 C6 49.1(2) . . ?
C5 Gd1 C6 148.7(3) . . ?
C9 Gd1 C6 49.3(2) . . ?
C3 Gd1 C6 110.3(2) . . ?
C4 Gd1 C6 138.7(3) . . ?
C7 Gd1 C6 29.4(2) . . ?
C10 Gd1 C6 30.04(19) . . ?
N1 Gd1 S1 65.25(11) . . ?
C1 Gd1 S1 129.4(3) . . ?
C2 Gd1 S1 134.0(2) . . ?
C8 Gd1 S1 133.67(16) . . ?
C5 Gd1 S1 99.7(3) . . ?
C9 Gd1 S1 103.37(16) . . ?
C3 Gd1 S1 105.4(2) . . ?
C4 Gd1 S1 87.06(18) . . ?
C7 Gd1 S1 138.07(18) . . ?
C10 Gd1 S1 90.50(16) . . ?
C6 Gd1 S1 109.35(18) . . ?
N2 Gd2 C23 121.24(18) . . ?
N2 Gd2 C22 111.78(18) . . ?
C23 Gd2 C22 30.14(19) . . ?
N2 Gd2 C19 119.4(2) . . ?
C23 Gd2 C19 91.2(3) . . ?
C22 Gd2 C19 118.1(3) . . ?
N2 Gd2 C24 94.67(18) . . ?
C23 Gd2 C24 30.78(18) . . ?
C22 Gd2 C24 50.1(2) . . ?
C19 Gd2 C24 92.2(3) . . ?
N2 Gd2 C18 112.7(3) . . ?
C23 Gd2 C18 115.7(4) . . ?
C22 Gd2 C18 135.4(3) . . ?
C19 Gd2 C18 29.1(3) . . ?
C24 Gd2 C18 121.4(4) . . ?
N2 Gd2 C20 93.2(3) . . ?
C23 Gd2 C20 95.0(3) . . ?
C22 Gd2 C20 125.1(3) . . ?
C19 Gd2 C20 29.3(2) . . ?
C24 Gd2 C20 81.1(2) . . ?
C18 Gd2 C20 48.2(3) . . ?
N2 Gd2 C26 81.54(18) . . ?
C23 Gd2 C26 49.8(2) . . ?
C22 Gd2 C26 30.24(18) . . ?
C19 Gd2 C26 139.6(3) . . ?
C24 Gd2 C26 49.5(2) . . ?
C18 Gd2 C26 164.9(4) . . ?
C20 Gd2 C26 129.2(2) . . ?
N2 Gd2 C21 71.8(2) . . ?
C23 Gd2 C21 122.6(3) . . ?
C22 Gd2 C21 151.4(3) . . ?
C19 Gd2 C21 47.9(3) . . ?
C24 Gd2 C21 102.0(3) . . ?
C18 Gd2 C21 48.0(3) . . ?
C20 Gd2 C21 29.0(2) . . ?
C26 Gd2 C21 139.4(2) . . ?
N2 Gd2 C17 83.3(3) . . ?
C23 Gd2 C17 139.3(3) . . ?
C22 Gd2 C17 164.7(3) . . ?
C19 Gd2 C17 48.4(3) . . ?
C24 Gd2 C17 128.9(3) . . ?
C18 Gd2 C17 29.4(3) . . ?
C20 Gd2 C17 48.3(3) . . ?
C26 Gd2 C17 164.4(3) . . ?
C21 Gd2 C17 29.2(2) . . ?
N2 Gd2 C25 71.36(18) . . ?
C23 Gd2 C25 49.9(2) . . ?
C22 Gd2 C25 49.75(19) . . ?
C19 Gd2 C25 119.7(3) . . ?
C24 Gd2 C25 29.90(19) . . ?
C18 Gd2 C25 147.9(3) . . ?
C20 Gd2 C25 100.8(2) . . ?
C26 Gd2 C25 29.81(18) . . ?
C21 Gd2 C25 110.6(3) . . ?
C17 Gd2 C25 139.3(3) . . ?
N2 Gd2 S2 65.06(12) . . ?
C23 Gd2 S2 132.47(16) . . ?
C22 Gd2 S2 102.38(16) . . ?
C19 Gd2 S2 128.9(3) . . ?
C24 Gd2 S2 138.79(16) . . ?
C18 Gd2 S2 99.8(3) . . ?
C20 Gd2 S2 132.5(2) . . ?
C26 Gd2 S2 90.67(15) . . ?
C21 Gd2 S2 104.5(3) . . ?
C17 Gd2 S2 86.0(2) . . ?
C25 Gd2 S2 109.92(15) . . ?
C16 S1 Gd1 94.7(2) . . ?
C16 S1 Gd2 126.9(2) . . ?
Gd1 S1 Gd2 103.12(6) . . ?
C32 S2 Gd2 96.8(2) . . ?
C32 S2 Gd1 128.2(2) . . ?
Gd2 S2 Gd1 103.66(6) . . ?
C11 N1 Gd1 110.8(3) . . ?
C27 N2 Gd2 112.9(4) . . ?
C5 C1 C2 108.7(8) . . ?
C5 C1 Gd1 76.5(5) . . ?
C2 C1 Gd1 75.8(5) . . ?
C3 C2 C1 106.9(8) . . ?
C3 C2 Gd1 76.1(4) . . ?
C1 C2 Gd1 74.2(4) . . ?
C4 C3 C2 109.0(8) . . ?
C4 C3 Gd1 75.9(4) . . ?
C2 C3 Gd1 74.4(4) . . ?
C3 C4 C5 108.5(8) . . ?
C3 C4 Gd1 75.1(4) . . ?
C5 C4 Gd1 74.5(4) . . ?
C4 C5 C1 106.9(7) . . ?
C4 C5 Gd1 75.9(4) . . ?
C1 C5 Gd1 73.8(4) . . ?
C7 C6 C10 109.3(6) . . ?
C7 C6 Gd1 75.0(4) . . ?
C10 C6 Gd1 75.0(3) . . ?
C6 C7 C8 107.5(7) . . ?
C6 C7 Gd1 75.6(4) . . ?
C8 C7 Gd1 73.7(4) . . ?
C9 C8 C7 108.4(7) . . ?
C9 C8 Gd1 75.4(4) . . ?
C7 C8 Gd1 76.2(4) . . ?
C10 C9 C8 107.9(6) . . ?
C10 C9 Gd1 76.1(3) . . ?
C8 C9 Gd1 74.3(4) . . ?
C9 C10 C6 107.0(7) . . ?
C9 C10 Gd1 74.0(3) . . ?
C6 C10 Gd1 75.0(4) . . ?
C16 C11 C12 119.5(6) . . ?
C16 C11 N1 117.6(5) . . ?
C12 C11 N1 122.9(6) . . ?
C13 C12 C11 121.2(7) . . ?
C12 C13 C14 119.6(6) . . ?
C13 C14 C15 120.3(6) . . ?
C16 C15 C14 121.3(6) . . ?
C15 C16 C11 118.1(6) . . ?
C15 C16 S1 123.6(5) . . ?
C11 C16 S1 118.2(5) . . ?
C18 C17 C21 106.3(10) . . ?
C18 C17 Gd2 73.9(5) . . ?
C21 C17 Gd2 75.2(4) . . ?
C19 C18 C17 108.6(9) . . ?
C19 C18 Gd2 75.2(5) . . ?
C17 C18 Gd2 76.7(5) . . ?
C18 C19 C20 108.5(10) . . ?
C18 C19 Gd2 75.7(6) . . ?
C20 C19 Gd2 76.2(5) . . ?
C21 C20 C19 107.6(9) . . ?
C21 C20 Gd2 76.1(4) . . ?
C19 C20 Gd2 74.5(5) . . ?
C20 C21 C17 109.0(8) . . ?
C20 C21 Gd2 75.0(4) . . ?
C17 C21 Gd2 75.6(4) . . ?
C23 C22 C26 108.0(6) . . ?
C23 C22 Gd2 74.2(4) . . ?
C26 C22 Gd2 76.2(3) . . ?
C22 C23 C24 108.0(6) . . ?
C22 C23 Gd2 75.7(4) . . ?
C24 C23 Gd2 75.7(4) . . ?
C25 C24 C23 107.7(6) . . ?
C25 C24 Gd2 76.4(4) . . ?
C23 C24 Gd2 73.5(4) . . ?
C24 C25 C26 108.1(6) . . ?
C24 C25 Gd2 73.7(4) . . ?
C26 C25 Gd2 74.7(3) . . ?
C25 C26 C22 108.2(6) . . ?
C25 C26 Gd2 75.5(3) . . ?
C22 C26 Gd2 73.5(3) . . ?
C28 C27 C32 120.1(7) . . ?
C28 C27 N2 123.0(6) . . ?
C32 C27 N2 116.9(5) . . ?
C29 C28 C27 120.6(7) . . ?
C28 C29 C30 120.6(7) . . ?
C29 C30 C31 120.2(8) . . ?
C32 C31 C30 121.2(7) . . ?
C31 C32 C27 117.1(6) . . ?
C31 C32 S2 124.7(5) . . ?
C27 C32 S2 118.2(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
Gd1 N1 2.545(5) . ?
Gd1 C1 2.645(7) . ?
Gd1 C2 2.666(7) . ?
Gd1 C8 2.669(6) . ?
Gd1 C5 2.679(7) . ?
Gd1 C9 2.682(6) . ?
Gd1 C3 2.687(6) . ?
Gd1 C4 2.697(7) . ?
Gd1 C7 2.701(6) . ?
Gd1 C10 2.708(6) . ?
Gd1 C6 2.708(6) . ?
Gd1 S1 2.8307(18) . ?
Gd2 N2 2.541(5) . ?
Gd2 C23 2.653(6) . ?
Gd2 C22 2.671(6) . ?
Gd2 C19 2.670(8) . ?
Gd2 C24 2.680(6) . ?
Gd2 C18 2.677(8) . ?
Gd2 C20 2.692(7) . ?
Gd2 C26 2.706(6) . ?
Gd2 C21 2.706(7) . ?
Gd2 C17 2.711(7) . ?
Gd2 C25 2.715(6) . ?
Gd2 S2 2.826(2) . ?
S1 C16 1.764(6) . ?
S2 C32 1.758(7) . ?
N1 C11 1.424(7) . ?
N2 C27 1.431(8) . ?
C1 C5 1.365(12) . ?
C1 C2 1.375(11) . ?
C2 C3 1.364(11) . ?
C3 C4 1.346(10) . ?
C4 C5 1.376(12) . ?
C6 C7 1.374(10) . ?
C6 C10 1.404(9) . ?
C7 C8 1.394(8) . ?
C8 C9 1.399(9) . ?
C9 C10 1.393(9) . ?
C11 C16 1.400(8) . ?
C11 C12 1.385(8) . ?
C12 C13 1.362(9) . ?
C13 C14 1.364(9) . ?
C14 C15 1.375(8) . ?
C15 C16 1.379(8) . ?
C17 C18 1.369(13) . ?
C17 C21 1.368(11) . ?
C18 C19 1.345(13) . ?
C19 C20 1.356(11) . ?
C20 C21 1.350(11) . ?
C22 C23 1.384(9) . ?
C22 C26 1.403(9) . ?
C23 C24 1.415(8) . ?
C24 C25 1.392(9) . ?
C25 C26 1.394(9) . ?
C27 C28 1.391(8) . ?
C27 C32 1.406(8) . ?
C28 C29 1.344(10) . ?
C29 C30 1.349(10) . ?
C30 C31 1.391(9) . ?
C31 C32 1.377(9) . ?
