#------------------------------------------------------------------------------
#$Date: 2016-03-21 07:07:43 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178550 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/57/4065721.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_4065721
loop_
_publ_author_name
'Li, Danfeng'
'Li, Shihui'
'Cui, Dongmei'
'Zhang, Xuequan'
_publ_section_title
;
 β-Diketiminato Rare-Earth Metal Complexes. Structures, Catalysis, and
 Active Species for Highlycis-1,4-Selective Polymerization of Isoprene
;
_journal_issue                   9
_journal_name_full               Organometallics
_journal_page_first              2186
_journal_paper_doi               10.1021/om100100r
_journal_volume                  29
_journal_year                    2010
_chemical_formula_sum            'C58 H66.67 Cl4 Gd2 N4 O4'
_chemical_formula_weight         1340.12
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 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                 122.9000(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            6
_cell_length_a                   35.463(2)
_cell_length_b                   15.0000(9)
_cell_length_c                   19.8185(12)
_cell_measurement_temperature    186.5(2)
_cell_volume                     8851.6(9)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      186.5(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_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  0.0175
_diffrn_reflns_av_sigmaI/netI    0.0197
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_h_min       -43
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            24560
_diffrn_reflns_theta_full        26.01
_diffrn_reflns_theta_max         26.01
_diffrn_reflns_theta_min         1.37
_exptl_absorpt_coefficient_mu    2.456
_exptl_absorpt_correction_T_max  0.7407
_exptl_absorpt_correction_T_min  0.6394
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_density_diffrn    1.508
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             4024
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.13
_refine_diff_density_max         1.503
_refine_diff_density_min         -0.639
_refine_diff_density_rms         0.080
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     516
_refine_ls_number_reflns         8699
_refine_ls_number_restraints     18
_refine_ls_restrained_S_all      1.056
_refine_ls_R_factor_all          0.0297
_refine_ls_R_factor_gt           0.0264
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0357P)²+19.3728P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0660
_refine_ls_wR_factor_ref         0.0681
_reflns_number_gt                7935
_reflns_number_total             8699
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om100100r_si_001.cif
_cod_data_source_block           1
_cod_original_cell_volume        8851.5(9)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               4065721
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -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
Gd Gd 0.664194(5) 0.029078(9) 0.142423(8) 0.02709(5) Uani 1 1 d . . .
Gd2 Gd 0.5000 0.499258(12) 0.7500 0.02533(6) Uani 1 2 d S . .
Cl1 Cl 0.59931(3) 0.00869(5) -0.00976(4) 0.03764(17) Uani 1 1 d . . .
Cl3 Cl 0.43783(3) 0.46715(6) 0.78144(6) 0.0469(2) Uani 1 1 d . . .
Cl2 Cl 0.72962(3) -0.00481(7) 0.29012(6) 0.0557(2) Uani 1 1 d . . .
N2 N 0.69544(8) 0.15854(16) 0.12161(14) 0.0295(5) Uani 1 1 d . . .
O1 O 0.62799(7) -0.09689(15) 0.16405(12) 0.0362(5) Uani 1 1 d . . .
O3 O 0.46079(8) 0.37953(16) 0.65180(14) 0.0466(6) Uani 1 1 d . . .
N3 N 0.46328(8) 0.62177(15) 0.66072(13) 0.0263(5) Uani 1 1 d . . .
N1 N 0.62798(8) 0.14587(16) 0.16855(14) 0.0288(5) Uani 1 1 d . . .
O2 O 0.70309(8) -0.08444(16) 0.11325(15) 0.0447(6) Uani 1 1 d . . .
C14 C 0.73488(10) 0.1391(2) 0.12005(19) 0.0335(6) Uani 1 1 d . . .
C33 C 0.42897(10) 0.59573(19) 0.57966(16) 0.0298(6) Uani 1 1 d . C .
C6 C 0.60360(10) 0.1102(2) 0.20199(18) 0.0321(6) Uani 1 1 d . . .
C4 C 0.68196(10) 0.2432(2) 0.11147(17) 0.0325(6) Uani 1 1 d . . .
C7 C 0.62561(12) 0.0993(2) 0.2854(2) 0.0395(7) Uani 1 1 d . . .
C3 C 0.64968(11) 0.2760(2) 0.12551(19) 0.0372(7) Uani 1 1 d . . .
H3 H 0.6424 0.3358 0.1127 0.045 Uiso 1 1 calc R . .
C2 C 0.62663(10) 0.2330(2) 0.15578(18) 0.0340(7) Uani 1 1 d . . .
C15 C 0.77706(11) 0.1469(2) 0.1923(2) 0.0403(7) Uani 1 1 d . . .
C11 C 0.55890(11) 0.0825(2) 0.1509(2) 0.0401(7) Uani 1 1 d . . .
C19 C 0.73174(12) 0.1098(2) 0.0502(2) 0.0417(8) Uani 1 1 d . . .
C38 C 0.38460(11) 0.5866(2) 0.5586(2) 0.0407(7) Uani 1 1 d . . .
C34 C 0.44045(11) 0.5789(2) 0.52348(18) 0.0380(7) Uani 1 1 d . . .
C31 C 0.46998(11) 0.7089(2) 0.67521(18) 0.0377(7) Uani 1 1 d . C .
C25 C 0.64024(13) -0.1333(2) 0.2421(2) 0.0469(9) Uani 1 1 d . . .
H25A H 0.6439 -0.0857 0.2783 0.056 Uiso 1 1 calc R . .
H25B H 0.6681 -0.1665 0.2663 0.056 Uiso 1 1 calc R . .
C1 C 0.60007(13) 0.2931(2) 0.1762(2) 0.0493(9) Uani 1 1 d . . .
H1A H 0.5719 0.2654 0.1593 0.074 Uiso 1 1 calc R . .
H1B H 0.5948 0.3491 0.1491 0.074 Uiso 1 1 calc R . .
H1C H 0.6167 0.3029 0.2332 0.074 Uiso 1 1 calc R . .
C30 C 0.5000 0.7476(3) 0.7500 0.0487(13) Uani 1 2 d S . .
H30 H 0.5000 0.8096 0.7500 0.058 Uiso 1 2 calc SR C .
C10 C 0.53776(13) 0.0391(3) 0.1843(3) 0.0537(10) Uani 1 1 d . . .
H10 H 0.5083 0.0196 0.1510 0.064 Uiso 1 1 calc R . .
C13 C 0.53315(12) 0.1032(3) 0.0623(2) 0.0533(10) Uani 1 1 d . . .
H13A H 0.5312 0.1667 0.0548 0.080 Uiso 1 1 calc R . .
H13B H 0.5035 0.0785 0.0367 0.080 Uiso 1 1 calc R . .
H13C H 0.5484 0.0777 0.0391 0.080 Uiso 1 1 calc R . .
C32 C 0.44310(14) 0.7750(2) 0.6068(2) 0.0523(10) Uani 1 1 d . . .
H32A H 0.4492 0.7651 0.5657 0.078 Uiso 1 1 calc R C .
H32B H 0.4516 0.8347 0.6270 0.078 Uiso 1 1 calc R . .
H32C H 0.4116 0.7668 0.5847 0.078 Uiso 1 1 calc R . .
C18 C 0.77128(14) 0.0849(2) 0.0548(3) 0.0540(10) Uani 1 1 d . . .
H18 H 0.7696 0.0654 0.0087 0.065 Uiso 1 1 calc R . .
C21 C 0.68802(14) 0.1088(3) -0.0294(2) 0.0565(10) Uani 1 1 d . . .
H21A H 0.6652 0.0830 -0.0234 0.085 Uiso 1 1 calc R . .
H21B H 0.6911 0.0741 -0.0669 0.085 Uiso 1 1 calc R . .
H21C H 0.6797 0.1687 -0.0491 0.085 Uiso 1 1 calc R . .
C36 C 0.36367(15) 0.5356(2) 0.4273(2) 0.0590(12) Uani 1 1 d . . .
H46 H 0.3420 0.5134 0.3769 0.071 Uiso 1 1 calc R C .
C29 C 0.75158(12) -0.0975(3) 0.1566(3) 0.0629(12) Uani 1 1 d . . .
H29A H 0.7628 -0.1292 0.2067 0.076 Uiso 1 1 calc R . .
H29B H 0.7673 -0.0412 0.1677 0.076 Uiso 1 1 calc R . .
C39 C 0.48647(13) 0.5989(3) 0.5417(2) 0.0571(10) Uani 1 1 d . C .
H50A H 0.4930 0.6609 0.5545 0.086 Uiso 1 1 calc R . .
H50B H 0.4877 0.5849 0.4957 0.086 Uiso 1 1 calc R . .
H50C H 0.5082 0.5635 0.5866 0.086 Uiso 1 1 calc R . .
C12 C 0.67152(13) 0.1362(3) 0.3423(2) 0.0555(10) Uani 1 1 d . . .
H12A H 0.6873 0.1410 0.3156 0.083 Uiso 1 1 calc R . .
H12B H 0.6877 0.0973 0.3878 0.083 Uiso 1 1 calc R . .
H12C H 0.6690 0.1942 0.3601 0.083 Uiso 1 1 calc R . .
C40 C 0.37079(13) 0.6148(3) 0.6150(3) 0.0606(11) Uani 1 1 d . C .
H49A H 0.3875 0.5813 0.6639 0.091 Uiso 1 1 calc R . .
H49B H 0.3393 0.6040 0.5903 0.091 Uiso 1 1 calc R . .
H49C H 0.3768 0.6772 0.6266 0.091 Uiso 1 1 calc R . .
C24 C 0.60204(15) -0.1935(3) 0.2246(3) 0.0617(11) Uani 1 1 d . . .
H24A H 0.6129 -0.2450 0.2600 0.074 Uiso 1 1 calc R . .
H24B H 0.5802 -0.1620 0.2309 0.074 Uiso 1 1 calc R . .
C20 C 0.78152(12) 0.1859(3) 0.2663(2) 0.0510(9) Uani 1 1 d . . .
H20A H 0.8116 0.1771 0.3116 0.076 Uiso 1 1 calc R . .
H20B H 0.7607 0.1571 0.2760 0.076 Uiso 1 1 calc R . .
H20C H 0.7751 0.2486 0.2584 0.076 Uiso 1 1 calc R . .
C16 C 0.81543(12) 0.1202(3) 0.1943(3) 0.0551(10) Uani 1 1 d . . .
H16 H 0.8434 0.1237 0.2422 0.066 Uiso 1 1 calc R . .
C9 C 0.56010(16) 0.0251(3) 0.2656(3) 0.0621(12) Uani 1 1 d . . .
H9 H 0.5460 -0.0056 0.2867 0.074 Uiso 1 1 calc R . .
C5 C 0.70297(12) 0.3110(2) 0.0850(2) 0.0434(8) Uani 1 1 d . . .
H5A H 0.7335 0.3216 0.1281 0.065 Uiso 1 1 calc R . .
H5B H 0.6864 0.3658 0.0711 0.065 Uiso 1 1 calc R . .
H5C H 0.7024 0.2887 0.0391 0.065 Uiso 1 1 calc R . .
C35 C 0.40696(15) 0.5478(2) 0.4472(2) 0.0538(10) Uani 1 1 d . C .
H45 H 0.4141 0.5353 0.4095 0.065 Uiso 1 1 calc R . .
C8 C 0.60282(15) 0.0559(3) 0.3156(2) 0.0543(10) Uani 1 1 d . . .
H8 H 0.6171 0.0480 0.3707 0.065 Uiso 1 1 calc R . .
C37 C 0.35248(12) 0.5559(3) 0.4812(2) 0.0555(10) Uani 1 1 d . C .
H47 H 0.3228 0.5493 0.4664 0.067 Uiso 1 1 calc R . .
C17 C 0.81234(14) 0.0889(3) 0.1263(3) 0.0616(11) Uani 1 1 d . . .
H17 H 0.8381 0.0705 0.1286 0.074 Uiso 1 1 calc R . .
C27 C 0.71793(15) -0.2144(3) 0.0619(3) 0.0642(11) Uani 1 1 d . . .
H27A H 0.7241 -0.2652 0.0968 0.077 Uiso 1 1 calc R . .
H27B H 0.7102 -0.2354 0.0096 0.077 Uiso 1 1 calc R . .
C26 C 0.68116(16) -0.1572(3) 0.0551(2) 0.0698(13) Uani 1 1 d . . .
H26A H 0.6624 -0.1336 0.0011 0.084 Uiso 1 1 calc R . .
H26B H 0.6625 -0.1920 0.0672 0.084 Uiso 1 1 calc R . .
C23 C 0.58207(17) -0.2208(3) 0.1391(3) 0.0767(14) Uani 1 1 d . . .
H23A H 0.5976 -0.2720 0.1356 0.092 Uiso 1 1 calc R . .
H23B H 0.5505 -0.2351 0.1131 0.092 Uiso 1 1 calc R . .
C22 C 0.58837(18) -0.1430(4) 0.1036(3) 0.0866(18) Uani 1 1 d . . .
H22A H 0.5916 -0.1605 0.0598 0.104 Uiso 1 1 calc R . .
H22B H 0.5625 -0.1041 0.0821 0.104 Uiso 1 1 calc R . .
C28 C 0.75588(19) -0.1537(3) 0.0966(4) 0.099(2) Uani 1 1 d . . .
H28A H 0.7545 -0.1163 0.0554 0.119 Uiso 1 1 calc R . .
H28B H 0.7840 -0.1864 0.1237 0.119 Uiso 1 1 calc R . .
C43 C 0.4205(2) 0.2483(4) 0.6037(3) 0.0922(18) Uani 1 1 d U . .
H43A H 0.4288 0.2181 0.6532 0.111 Uiso 1 1 calc R A 1
H43B H 0.3930 0.2227 0.5592 0.111 Uiso 1 1 calc R A 1
C42 C 0.45645(19) 0.2468(4) 0.5896(5) 0.116(2) Uani 1 1 d U C .
H42A H 0.4471 0.2192 0.5386 0.140 Uiso 1 1 calc R B 1
H42B H 0.4828 0.2165 0.6325 0.140 Uiso 1 1 calc R B 1
C44B C 0.4166(2) 0.3514(5) 0.6098(5) 0.064(2) Uani 0.664(10) 1 d P C 1
H44A H 0.3995 0.3785 0.5569 0.077 Uiso 0.664(10) 1 calc PR C 1
H44B H 0.4023 0.3656 0.6387 0.077 Uiso 0.664(10) 1 calc PR C 1
C44A C 0.4352(7) 0.3086(11) 0.6659(12) 0.078(6) Uani 0.336(10) 1 d P C 2
H44C H 0.4547 0.2796 0.7173 0.094 Uiso 0.336(10) 1 calc PR C 2
H44D H 0.4100 0.3347 0.6651 0.094 Uiso 0.336(10) 1 calc PR C 2
C41B C 0.4647(4) 0.3487(6) 0.5891(5) 0.090(4) Uani 0.664(10) 1 d P C 1
H41A H 0.4943 0.3605 0.5996 0.108 Uiso 0.664(10) 1 calc PR C 1
H41B H 0.4422 0.3755 0.5382 0.108 Uiso 0.664(10) 1 calc PR C 1
C41A C 0.4893(4) 0.3058(8) 0.6449(9) 0.052(4) Uani 0.336(10) 1 d PU C 2
H41C H 0.5069 0.3299 0.6250 0.062 Uiso 0.336(10) 1 calc PR C 2
H41D H 0.5093 0.2771 0.6963 0.062 Uiso 0.336(10) 1 calc PR C 2
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'
Cl Cl 0.1484 0.1585 '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
N2 Gd N1 78.17(8) . .
N2 Gd O1 175.75(8) . .
N1 Gd O1 97.65(8) . .
N2 Gd O2 98.70(8) . .
N1 Gd O2 176.85(8) . .
O1 Gd O2 85.47(8) . .
N2 Gd Cl2 98.00(6) . .
N1 Gd Cl2 98.89(6) . .
O1 Gd Cl2 83.39(5) . .
O2 Gd Cl2 81.84(6) . .
N2 Gd Cl1 95.49(6) . .
N1 Gd Cl1 95.46(6) . .
O1 Gd Cl1 84.03(5) . .
O2 Gd Cl1 84.42(6) . .
Cl2 Gd Cl1 162.02(3) . .
N3 Gd2 N3 79.35(11) . 2_656
N3 Gd2 O3 97.46(8) . .
N3 Gd2 O3 176.67(8) 2_656 .
N3 Gd2 O3 176.67(8) . 2_656
N3 Gd2 O3 97.45(8) 2_656 2_656
O3 Gd2 O3 85.76(12) . 2_656
N3 Gd2 Cl3 97.25(6) . .
N3 Gd2 Cl3 98.90(6) 2_656 .
O3 Gd2 Cl3 82.38(6) . .
O3 Gd2 Cl3 82.26(6) 2_656 .
N3 Gd2 Cl3 98.89(6) . 2_656
N3 Gd2 Cl3 97.24(6) 2_656 2_656
O3 Gd2 Cl3 82.26(6) . 2_656
O3 Gd2 Cl3 82.38(6) 2_656 2_656
Cl3 Gd2 Cl3 158.98(4) . 2_656
C4 N2 C14 117.5(2) . .
C4 N2 Gd 129.8(2) . .
C14 N2 Gd 112.70(18) . .
C22 O1 C25 107.3(3) . .
C22 O1 Gd 126.4(2) . .
C25 O1 Gd 126.06(19) . .
C44B O3 C41B 89.5(6) . .
C44B O3 C44A 45.7(8) . .
C41B O3 C44A 106.7(6) . .
C44B O3 C41A 108.0(5) . .
C41B O3 C41A 45.9(6) . .
C44A O3 C41A 90.0(9) . .
C44B O3 Gd2 132.1(3) . .
C41B O3 Gd2 131.3(3) . .
C44A O3 Gd2 120.4(6) . .
C41A O3 Gd2 118.4(5) . .
C31 N3 C33 116.7(2) . .
C31 N3 Gd2 129.35(19) . .
C33 N3 Gd2 113.99(17) . .
C2 N1 C6 118.9(2) . .
C2 N1 Gd 130.4(2) . .
C6 N1 Gd 110.66(17) . .
C29 O2 C26 108.4(3) . .
C29 O2 Gd 126.1(2) . .
C26 O2 Gd 125.2(2) . .
C19 C14 C15 120.2(3) . .
C19 C14 N2 121.8(3) . .
C15 C14 N2 117.9(3) . .
C38 C33 C34 120.7(3) . .
C38 C33 N3 119.4(3) . .
C34 C33 N3 119.9(3) . .
C7 C6 C11 120.3(3) . .
C7 C6 N1 119.6(3) . .
C11 C6 N1 120.0(3) . .
N2 C4 C3 124.6(3) . .
N2 C4 C5 119.3(3) . .
C3 C4 C5 116.1(3) . .
C8 C7 C6 118.5(3) . .
C8 C7 C12 119.6(3) . .
C6 C7 C12 121.8(3) . .
C4 C3 C2 130.4(3) . .
N1 C2 C3 124.3(3) . .
N1 C2 C1 120.0(3) . .
C3 C2 C1 115.7(3) . .
C16 C15 C14 119.1(3) . .
C16 C15 C20 119.9(3) . .
C14 C15 C20 121.0(3) . .
C10 C11 C6 118.7(3) . .
C10 C11 C13 120.3(3) . .
C6 C11 C13 120.8(3) . .
C14 C19 C18 118.6(3) . .
C14 C19 C21 121.8(3) . .
C18 C19 C21 119.5(3) . .
C33 C38 C37 118.3(3) . .
C33 C38 C40 121.2(3) . .
C37 C38 C40 120.4(3) . .
C35 C34 C33 118.4(3) . .
C35 C34 C39 120.1(3) . .
C33 C34 C39 121.4(3) . .
N3 C31 C30 125.5(3) . .
N3 C31 C32 119.6(3) . .
C30 C31 C32 114.9(3) . .
O1 C25 C24 105.5(3) . .
C31 C30 C31 130.9(4) . 2_656
C9 C10 C11 120.7(4) . .
C17 C18 C19 121.1(4) . .
C37 C36 C35 120.0(3) . .
O2 C29 C28 101.5(4) . .
C23 C24 C25 103.7(3) . .
C17 C16 C15 120.8(4) . .
C8 C9 C10 120.4(4) . .
C36 C35 C34 121.0(4) . .
C9 C8 C7 121.2(4) . .
C36 C37 C38 121.5(4) . .
C16 C17 C18 120.1(4) . .
C28 C27 C26 102.8(4) . .
O2 C26 C27 106.9(4) . .
C22 C23 C24 103.2(4) . .
O1 C22 C23 108.9(4) . .
C27 C28 C29 104.8(3) . .
C44A C43 C42 103.7(8) . .
C44A C43 C44B 44.8(8) . .
C42 C43 C44B 99.0(5) . .
C41A C42 C43 106.6(6) . .
C41A C42 C41B 45.9(6) . .
C43 C42 C41B 100.1(5) . .
O3 C44B C43 103.2(5) . .
C43 C44A O3 105.5(9) . .
O3 C41B C42 102.0(5) . .
C42 C41A O3 102.4(7) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Gd N2 2.380(2) .
Gd N1 2.389(2) .
Gd O1 2.450(2) .
Gd O2 2.450(2) .
Gd Cl2 2.6138(9) .
Gd Cl1 2.6355(8) .
Gd2 N3 2.388(2) .
Gd2 N3 2.388(2) 2_656
Gd2 O3 2.451(2) .
Gd2 O3 2.451(2) 2_656
Gd2 Cl3 2.6406(8) .
Gd2 Cl3 2.6408(8) 2_656
N2 C4 1.333(4) .
N2 C14 1.445(4) .
O1 C22 1.435(4) .
O1 C25 1.465(4) .
O3 C44B 1.383(6) .
O3 C41B 1.402(7) .
O3 C44A 1.519(12) .
O3 C41A 1.554(10) .
N3 C31 1.331(4) .
N3 C33 1.446(4) .
N1 C2 1.327(4) .
N1 C6 1.448(4) .
O2 C29 1.459(4) .
O2 C26 1.466(5) .
C14 C19 1.398(4) .
C14 C15 1.405(4) .
C33 C38 1.398(4) .
C33 C34 1.401(4) .
C6 C7 1.402(4) .
C6 C11 1.402(4) .
C4 C3 1.406(4) .
C4 C5 1.513(4) .
C7 C8 1.400(5) .
C7 C12 1.495(5) .
C3 C2 1.406(4) .
C2 C1 1.509(4) .
C15 C16 1.398(5) .
C15 C20 1.506(5) .
C11 C10 1.401(5) .
C11 C13 1.506(5) .
C19 C18 1.405(5) .
C19 C21 1.495(5) .
C38 C37 1.400(5) .
C38 C40 1.504(5) .
C34 C35 1.401(5) .
C34 C39 1.497(5) .
C31 C30 1.397(4) .
C31 C32 1.525(4) .
C25 C24 1.505(5) .
C30 C31 1.397(4) 2_656
C10 C9 1.371(6) .
C18 C17 1.375(6) .
C36 C37 1.362(6) .
C36 C35 1.374(6) .
C29 C28 1.532(7) .
C24 C23 1.496(6) .
C16 C17 1.374(6) .
C9 C8 1.364(6) .
C27 C28 1.452(7) .
C27 C26 1.504(5) .
C23 C22 1.442(6) .
C43 C44A 1.382(13) .
C43 C42 1.445(7) .
C43 C44B 1.564(9) .
C42 C41A 1.398(12) .
C42 C41B 1.557(10) .
