#------------------------------------------------------------------------------
#$Date: 2016-03-26 00:35:06 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180086 $
#$URL: svn://www.crystallography.net/cod/cif/7/05/32/7053208.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_7053208
loop_
_publ_author_name
'Mei, Xuelan'
'Wang, Xiufeng'
'Wang, Juanjuan'
'Ma, Yue'
'Li, Licun'
'Liao, Daizheng'
_publ_section_title
;
 Dinuclear lanthanide complexes bridged by nitronyl nitroxide radical
 ligands with 2-phenolate groups: structure and magnetic properties
;
_journal_issue                   11
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              3620
_journal_paper_doi               10.1039/c3nj00739a
_journal_volume                  37
_journal_year                    2013
_chemical_formula_sum            'C46 H60 Gd2 N4 O14'
_chemical_formula_weight         1207.48
_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                103.690(4)
_cell_angle_beta                 98.754(3)
_cell_angle_gamma                114.763(6)
_cell_formula_units_Z            1
_cell_length_a                   10.484(6)
_cell_length_b                   11.287(7)
_cell_length_c                   11.799(7)
_cell_measurement_reflns_used    3626
_cell_measurement_temperature    113(2)
_cell_measurement_theta_max      27.9
_cell_measurement_theta_min      1.9
_cell_volume                     1180.8(12)
_computing_cell_refinement       'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_data_collection       'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_data_reduction        'CrystalClear (Rigaku/MSC Inc., 2005)'
_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      113(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'profile data from ω-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  0.0506
_diffrn_reflns_av_sigmaI/netI    0.0790
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            7970
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.85
_exptl_absorpt_coefficient_mu    2.854
_exptl_absorpt_correction_T_max  0.8040
_exptl_absorpt_correction_T_min  0.5994
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   CrystalClear
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.698
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             604
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.007
_refine_diff_density_min         -0.934
_refine_diff_density_rms         0.149
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.001
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     306
_refine_ls_number_reflns         4105
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.001
_refine_ls_R_factor_all          0.0471
_refine_ls_R_factor_gt           0.0410
_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)+(0.0300P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0765
_refine_ls_wR_factor_ref         0.0794
_reflns_number_gt                3755
_reflns_number_total             4105
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3nj00739a.txt
_cod_data_source_block           Gd
_cod_depositor_comments
;
The following automatic conversions were performed:

'_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 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7053208
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
C1 C 0.3250(6) -0.0733(6) 0.8468(5) 0.0288(13) Uani 1 1 d .
H1A H 0.2558 -0.0986 0.8927 0.043 Uiso 1 1 calc R
H1B H 0.4196 -0.0521 0.8941 0.043 Uiso 1 1 calc R
H1C H 0.2937 -0.1490 0.7730 0.043 Uiso 1 1 calc R
C2 C 0.3345(6) 0.0522(6) 0.8162(5) 0.0200(12) Uani 1 1 d .
C3 C 0.4598(6) 0.1778(6) 0.8730(5) 0.0213(12) Uani 1 1 d .
H3 H 0.5354 0.1806 0.9282 0.026 Uiso 1 1 calc R
C4 C 0.4807(6) 0.3011(5) 0.8531(5) 0.0227(12) Uani 1 1 d .
C5 C 0.6241(6) 0.4300(6) 0.9201(6) 0.0358(15) Uani 1 1 d .
H5A H 0.6834 0.4494 0.8656 0.054 Uiso 1 1 calc R
H5B H 0.6745 0.4164 0.9869 0.054 Uiso 1 1 calc R
H5C H 0.6060 0.5065 0.9505 0.054 Uiso 1 1 calc R
C6 C -0.0369(6) 0.2774(7) 0.9554(5) 0.0352(15) Uani 1 1 d .
H6A H -0.0631 0.1881 0.9633 0.053 Uiso 1 1 calc R
H6B H -0.1221 0.2906 0.9438 0.053 Uiso 1 1 calc R
H6C H 0.0364 0.3481 1.0279 0.053 Uiso 1 1 calc R
C7 C 0.0221(6) 0.2861(6) 0.8485(5) 0.0281(13) Uani 1 1 d .
C8 C 0.0363(6) 0.3975(6) 0.8074(5) 0.0330(14) Uani 1 1 d .
H8 H 0.0070 0.4579 0.8492 0.040 Uiso 1 1 calc R
C9 C 0.0891(6) 0.4260(5) 0.7117(5) 0.0273(14) Uani 1 1 d .
C10 C 0.0880(7) 0.5451(6) 0.6762(7) 0.0449(18) Uani 1 1 d .
H10A H 0.1741 0.5896 0.6515 0.067 Uiso 1 1 calc R
H10B H 0.0868 0.6104 0.7444 0.067 Uiso 1 1 calc R
H10C H 0.0023 0.5113 0.6099 0.067 Uiso 1 1 calc R
C11 C 0.1966(5) -0.0809(5) 0.4502(5) 0.0168(11) Uani 1 1 d .
C12 C 0.2022(6) -0.1836(5) 0.4957(5) 0.0197(11) Uani 1 1 d .
H12 H 0.1424 -0.2162 0.5438 0.024 Uiso 1 1 calc R
C13 C 0.2954(6) -0.2364(5) 0.4697(5) 0.0234(12) Uani 1 1 d .
H13 H 0.2980 -0.3040 0.5009 0.028 Uiso 1 1 calc R
C14 C 0.3858(6) -0.1904(5) 0.3974(5) 0.0244(12) Uani 1 1 d .
H14 H 0.4454 -0.2292 0.3772 0.029 Uiso 1 1 calc R
C15 C 0.3849(6) -0.0872(5) 0.3569(5) 0.0237(12) Uani 1 1 d .
H15 H 0.4471 -0.0540 0.3105 0.028 Uiso 1 1 calc R
C16 C 0.2928(5) -0.0296(5) 0.3830(5) 0.0201(12) Uani 1 1 d .
C17 C 0.2957(5) 0.0803(6) 0.3379(5) 0.0213(12) Uani 1 1 d .
C18 C 0.3196(6) 0.2201(5) 0.2099(5) 0.0226(12) Uani 1 1 d .
C19 C 0.4815(6) 0.3159(6) 0.2330(6) 0.0312(14) Uani 1 1 d .
H19A H 0.5339 0.3324 0.3141 0.047 Uiso 1 1 calc R
H19B H 0.4944 0.4023 0.2240 0.047 Uiso 1 1 calc R
H19C H 0.5186 0.2737 0.1755 0.047 Uiso 1 1 calc R
C20 C 0.2314(6) 0.1874(6) 0.0823(5) 0.0283(13) Uani 1 1 d .
H20A H 0.2730 0.1520 0.0246 0.042 Uiso 1 1 calc R
H20B H 0.2331 0.2701 0.0728 0.042 Uiso 1 1 calc R
H20C H 0.1320 0.1192 0.0686 0.042 Uiso 1 1 calc R
C21 C 0.2558(6) 0.2651(5) 0.3134(5) 0.0237(12) Uani 1 1 d .
C22 C 0.3244(7) 0.4206(6) 0.3772(6) 0.0345(15) Uani 1 1 d .
H22A H 0.2908 0.4381 0.4476 0.052 Uiso 1 1 calc R
H22B H 0.2965 0.4620 0.3225 0.052 Uiso 1 1 calc R
H22C H 0.4292 0.4598 0.4019 0.052 Uiso 1 1 calc R
C23 C 0.0891(6) 0.2003(6) 0.2744(5) 0.0312(14) Uani 1 1 d .
H23A H 0.0475 0.1026 0.2332 0.047 Uiso 1 1 calc R
H23B H 0.0597 0.2418 0.2205 0.047 Uiso 1 1 calc R
H23C H 0.0553 0.2158 0.3449 0.047 Uiso 1 1 calc R
Gd1 Gd 0.15687(3) 0.15872(3) 0.63984(2) 0.01683(10) Uani 1 1 d .
N1 N 0.2902(5) 0.1945(4) 0.3968(4) 0.0216(10) Uani 1 1 d .
N2 N 0.3079(5) 0.0873(5) 0.2263(4) 0.0234(10) Uani 1 1 d .
O1 O 0.2230(4) 0.0320(4) 0.7382(3) 0.0212(8) Uani 1 1 d .
O2 O 0.3883(4) 0.3123(3) 0.7784(3) 0.0218(8) Uani 1 1 d .
O3 O 0.0578(4) 0.1958(4) 0.8010(3) 0.0247(9) Uani 1 1 d .
O4 O 0.1374(4) 0.3565(4) 0.6461(4) 0.0267(9) Uani 1 1 d .
O5 O 0.0959(3) -0.0373(3) 0.4686(3) 0.0168(8) Uani 1 1 d .
O6 O 0.2989(4) 0.2373(4) 0.5118(3) 0.0249(8) Uani 1 1 d .
O7 O 0.3212(4) 0.0008(4) 0.1446(4) 0.0319(10) 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'
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'
O O 0.0106 0.0060 '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
C2 C1 H1A 109.5 . .
C2 C1 H1B 109.5 . .
H1A C1 H1B 109.5 . .
C2 C1 H1C 109.5 . .
H1A C1 H1C 109.5 . .
H1B C1 H1C 109.5 . .
O1 C2 C3 125.1(5) . .
O1 C2 C1 115.8(5) . .
C3 C2 C1 119.2(5) . .
C2 C3 C4 124.4(5) . .
C2 C3 H3 117.8 . .
C4 C3 H3 117.8 . .
O2 C4 C3 124.7(5) . .
O2 C4 C5 116.6(5) . .
C3 C4 C5 118.6(5) . .
C4 C5 H5A 109.5 . .
C4 C5 H5B 109.5 . .
H5A C5 H5B 109.5 . .
C4 C5 H5C 109.5 . .
H5A C5 H5C 109.5 . .
H5B C5 H5C 109.5 . .
C7 C6 H6A 109.5 . .
C7 C6 H6B 109.5 . .
H6A C6 H6B 109.5 . .
C7 C6 H6C 109.5 . .
H6A C6 H6C 109.5 . .
H6B C6 H6C 109.5 . .
O3 C7 C8 123.8(5) . .
O3 C7 C6 119.2(5) . .
C8 C7 C6 117.0(5) . .
C9 C8 C7 126.7(5) . .
C9 C8 H8 116.6 . .
C7 C8 H8 116.6 . .
O4 C9 C8 125.3(5) . .
O4 C9 C10 115.4(5) . .
C8 C9 C10 119.3(5) . .
C9 C10 H10A 109.5 . .
C9 C10 H10B 109.5 . .
H10A C10 H10B 109.5 . .
C9 C10 H10C 109.5 . .
H10A C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
O5 C11 C16 121.7(4) . .
O5 C11 C12 120.1(4) . .
C16 C11 C12 118.2(4) . .
C13 C12 C11 120.6(5) . .
C13 C12 H12 119.7 . .
C11 C12 H12 119.7 . .
C12 C13 C14 121.1(5) . .
C12 C13 H13 119.4 . .
C14 C13 H13 119.4 . .
C15 C14 C13 118.5(5) . .
C15 C14 H14 120.7 . .
C13 C14 H14 120.7 . .
C14 C15 C16 121.9(5) . .
C14 C15 H15 119.1 . .
C16 C15 H15 119.1 . .
C11 C16 C15 119.5(5) . .
C11 C16 C17 120.5(4) . .
C15 C16 C17 119.9(5) . .
N1 C17 N2 106.7(4) . .
N1 C17 C16 127.7(5) . .
N2 C17 C16 125.6(5) . .
C20 C18 N2 108.9(4) . .
C20 C18 C19 112.1(5) . .
N2 C18 C19 106.5(4) . .
C20 C18 C21 115.3(4) . .
N2 C18 C21 99.4(4) . .
C19 C18 C21 113.5(5) . .
C18 C19 H19A 109.5 . .
C18 C19 H19B 109.5 . .
H19A C19 H19B 109.5 . .
C18 C19 H19C 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
C18 C20 H20A 109.5 . .
C18 C20 H20B 109.5 . .
H20A C20 H20B 109.5 . .
C18 C20 H20C 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
N1 C21 C22 111.6(5) . .
N1 C21 C23 105.3(4) . .
C22 C21 C23 110.4(5) . .
N1 C21 C18 99.9(4) . .
C22 C21 C18 115.3(5) . .
C23 C21 C18 113.4(5) . .
C21 C22 H22A 109.5 . .
C21 C22 H22B 109.5 . .
H22A C22 H22B 109.5 . .
C21 C22 H22C 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
C21 C23 H23A 109.5 . .
C21 C23 H23B 109.5 . .
H23A C23 H23B 109.5 . .
C21 C23 H23C 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
O1 Gd1 O4 149.92(13) . .
O1 Gd1 O3 82.98(12) . .
O4 Gd1 O3 75.46(13) . .
O1 Gd1 O2 73.49(13) . .
O4 Gd1 O2 84.65(13) . .
O3 Gd1 O2 87.31(13) . .
O1 Gd1 O6 114.34(12) . .
O4 Gd1 O6 79.74(13) . .
O3 Gd1 O6 152.11(13) . .
O2 Gd1 O6 77.80(13) . .
O1 Gd1 O5 111.63(12) . 2_556
O4 Gd1 O5 85.43(12) . 2_556
O3 Gd1 O5 80.43(12) . 2_556
O2 Gd1 O5 165.84(11) . 2_556
O6 Gd1 O5 110.29(13) . 2_556
O1 Gd1 O5 80.66(13) . .
O4 Gd1 O5 129.41(13) . .
O3 Gd1 O5 134.30(12) . .
O2 Gd1 O5 127.29(11) . .
O6 Gd1 O5 72.32(12) . .
O5 Gd1 O5 66.86(12) 2_556 .
O1 Gd1 Gd1 97.05(10) . 2_556
O4 Gd1 Gd1 109.49(10) . 2_556
O3 Gd1 Gd1 108.67(10) . 2_556
O2 Gd1 Gd1 160.62(8) . 2_556
O6 Gd1 Gd1 91.42(10) . 2_556
O5 Gd1 Gd1 33.52(8) 2_556 2_556
O5 Gd1 Gd1 33.34(8) . 2_556
O6 N1 C17 126.2(4) . .
O6 N1 C21 120.8(4) . .
C17 N1 C21 112.7(4) . .
O7 N2 C17 126.2(4) . .
O7 N2 C18 120.6(4) . .
C17 N2 C18 113.0(4) . .
C2 O1 Gd1 137.1(3) . .
C4 O2 Gd1 135.1(3) . .
C7 O3 Gd1 134.5(4) . .
C9 O4 Gd1 134.2(4) . .
C11 O5 Gd1 125.6(3) . 2_556
C11 O5 Gd1 120.6(3) . .
Gd1 O5 Gd1 113.14(12) 2_556 .
N1 O6 Gd1 136.6(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C2 1.511(7) .
C1 H1A 0.9600 .
C1 H1B 0.9600 .
C1 H1C 0.9600 .
C2 O1 1.271(6) .
C2 C3 1.381(7) .
C3 C4 1.399(7) .
C3 H3 0.9300 .
C4 O2 1.275(6) .
C4 C5 1.505(8) .
C5 H5A 0.9600 .
C5 H5B 0.9600 .
C5 H5C 0.9600 .
C6 C7 1.493(8) .
C6 H6A 0.9600 .
C6 H6B 0.9600 .
C6 H6C 0.9600 .
C7 O3 1.267(6) .
C7 C8 1.411(8) .
C8 C9 1.377(8) .
C8 H8 0.9300 .
C9 O4 1.278(6) .
C9 C10 1.504(8) .
C10 H10A 0.9600 .
C10 H10B 0.9600 .
C10 H10C 0.9600 .
C11 O5 1.364(5) .
C11 C16 1.398(7) .
C11 C12 1.406(7) .
C12 C13 1.377(7) .
C12 H12 0.9300 .
C13 C14 1.392(7) .
C13 H13 0.9300 .
C14 C15 1.363(7) .
C14 H14 0.9300 .
C15 C16 1.405(7) .
C15 H15 0.9300 .
C16 C17 1.453(7) .
C17 N1 1.341(6) .
C17 N2 1.360(7) .
C18 C20 1.511(7) .
C18 N2 1.513(6) .
C18 C19 1.519(7) .
C18 C21 1.561(7) .
C19 H19A 0.9600 .
C19 H19B 0.9600 .
C19 H19C 0.9600 .
C20 H20A 0.9600 .
C20 H20B 0.9600 .
C20 H20C 0.9600 .
C21 N1 1.495(6) .
C21 C22 1.522(7) .
C21 C23 1.525(7) .
C22 H22A 0.9600 .
C22 H22B 0.9600 .
C22 H22C 0.9600 .
C23 H23A 0.9600 .
C23 H23B 0.9600 .
C23 H23C 0.9600 .
Gd1 O1 2.290(3) .
Gd1 O4 2.311(4) .
Gd1 O3 2.336(4) .
Gd1 O2 2.344(4) .
Gd1 O6 2.345(4) .
Gd1 O5 2.374(3) 2_556
Gd1 O5 2.385(4) .
Gd1 Gd1 3.9715(15) 2_556
N1 O6 1.303(6) .
N2 O7 1.269(5) .
O5 Gd1 2.374(3) 2_556
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_4
O1 C2 C3 C4 0.6(8) . .
C1 C2 C3 C4 -179.3(5) . .
C2 C3 C4 O2 -1.6(8) . .
C2 C3 C4 C5 -179.0(5) . .
O3 C7 C8 C9 0.2(10) . .
C6 C7 C8 C9 179.4(6) . .
C7 C8 C9 O4 -1.8(10) . .
C7 C8 C9 C10 176.4(6) . .
O5 C11 C12 C13 174.9(5) . .
C16 C11 C12 C13 -3.0(8) . .
C11 C12 C13 C14 -0.3(8) . .
C12 C13 C14 C15 2.8(8) . .
C13 C14 C15 C16 -1.9(8) . .
O5 C11 C16 C15 -174.0(5) . .
C12 C11 C16 C15 3.8(8) . .
O5 C11 C16 C17 4.6(8) . .
C12 C11 C16 C17 -177.6(5) . .
C14 C15 C16 C11 -1.4(8) . .
C14 C15 C16 C17 180.0(5) . .
C11 C16 C17 N1 42.5(8) . .
C15 C16 C17 N1 -139.0(6) . .
C11 C16 C17 N2 -139.1(5) . .
C15 C16 C17 N2 39.5(8) . .
C20 C18 C21 N1 141.9(4) . .
N2 C18 C21 N1 25.7(5) . .
C19 C18 C21 N1 -87.0(5) . .
C20 C18 C21 C22 -98.4(6) . .
N2 C18 C21 C22 145.4(5) . .
C19 C18 C21 C22 32.8(6) . .
C20 C18 C21 C23 30.3(6) . .
N2 C18 C21 C23 -85.9(5) . .
C19 C18 C21 C23 161.4(4) . .
N2 C17 N1 O6 -169.8(4) . .
C16 C17 N1 O6 8.9(8) . .
N2 C17 N1 C21 16.5(6) . .
C16 C17 N1 C21 -164.8(5) . .
C22 C21 N1 O6 35.6(6) . .
C23 C21 N1 O6 -84.2(6) . .
C18 C21 N1 O6 158.0(4) . .
C22 C21 N1 C17 -150.3(5) . .
C23 C21 N1 C17 89.9(5) . .
C18 C21 N1 C17 -27.9(5) . .
N1 C17 N2 O7 177.5(5) . .
C16 C17 N2 O7 -1.3(8) . .
N1 C17 N2 C18 3.2(6) . .
C16 C17 N2 C18 -175.5(5) . .
C20 C18 N2 O7 44.9(6) . .
C19 C18 N2 O7 -76.2(6) . .
C21 C18 N2 O7 165.8(4) . .
C20 C18 N2 C17 -140.5(5) . .
C19 C18 N2 C17 98.4(5) . .
C21 C18 N2 C17 -19.6(5) . .
C3 C2 O1 Gd1 3.7(8) . .
C1 C2 O1 Gd1 -176.4(3) . .
O4 Gd1 O1 C2 -49.5(6) . .
O3 Gd1 O1 C2 -93.7(5) . .
O2 Gd1 O1 C2 -4.4(4) . .
O6 Gd1 O1 C2 63.5(5) . .
O5 Gd1 O1 C2 -170.4(4) 2_556 .
O5 Gd1 O1 C2 129.2(5) . .
Gd1 Gd1 O1 C2 158.3(4) 2_556 .
C3 C4 O2 Gd1 -1.5(8) . .
C5 C4 O2 Gd1 176.0(4) . .
O1 Gd1 O2 C4 3.2(4) . .
O4 Gd1 O2 C4 162.3(5) . .
O3 Gd1 O2 C4 86.7(5) . .
O6 Gd1 O2 C4 -117.0(5) . .
O5 Gd1 O2 C4 116.6(5) 2_556 .
O5 Gd1 O2 C4 -60.8(5) . .
Gd1 Gd1 O2 C4 -59.6(6) 2_556 .
C8 C7 O3 Gd1 0.5(8) . .
C6 C7 O3 Gd1 -178.7(4) . .
O1 Gd1 O3 C7 158.9(5) . .
O4 Gd1 O3 C7 0.0(5) . .
O2 Gd1 O3 C7 85.2(5) . .
O6 Gd1 O3 C7 28.0(6) . .
O5 Gd1 O3 C7 -87.7(5) 2_556 .
O5 Gd1 O3 C7 -131.5(5) . .
Gd1 Gd1 O3 C7 -106.0(5) 2_556 .
C8 C9 O4 Gd1 2.7(8) . .
C10 C9 O4 Gd1 -175.5(4) . .
O1 Gd1 O4 C9 -47.2(6) . .
O3 Gd1 O4 C9 -1.6(5) . .
O2 Gd1 O4 C9 -90.2(5) . .
O6 Gd1 O4 C9 -168.8(5) . .
O5 Gd1 O4 C9 79.7(5) 2_556 .
O5 Gd1 O4 C9 134.5(4) . .
Gd1 Gd1 O4 C9 103.4(5) 2_556 .
C16 C11 O5 Gd1 100.5(5) . 2_556
C12 C11 O5 Gd1 -77.2(5) . 2_556
C16 C11 O5 Gd1 -89.3(5) . .
C12 C11 O5 Gd1 93.0(5) . .
O1 Gd1 O5 C11 -52.9(3) . .
O4 Gd1 O5 C11 126.2(3) . .
O3 Gd1 O5 C11 -123.4(3) . .
O2 Gd1 O5 C11 8.0(4) . .
O6 Gd1 O5 C11 66.5(3) . .
O5 Gd1 O5 C11 -171.3(4) 2_556 .
Gd1 Gd1 O5 C11 -171.3(4) 2_556 .
O1 Gd1 O5 Gd1 118.46(15) . 2_556
O4 Gd1 O5 Gd1 -62.40(19) . 2_556
O3 Gd1 O5 Gd1 48.0(2) . 2_556
O2 Gd1 O5 Gd1 179.30(11) . 2_556
O6 Gd1 O5 Gd1 -122.15(16) . 2_556
O5 Gd1 O5 Gd1 0.0 2_556 2_556
C17 N1 O6 Gd1 -65.8(7) . .
C21 N1 O6 Gd1 107.5(5) . .
O1 Gd1 O6 N1 94.2(4) . .
O4 Gd1 O6 N1 -113.8(4) . .
O3 Gd1 O6 N1 -141.2(4) . .
O2 Gd1 O6 N1 159.6(4) . .
O5 Gd1 O6 N1 -32.6(4) 2_556 .
O5 Gd1 O6 N1 23.5(4) . .
Gd1 Gd1 O6 N1 -4.2(4) 2_556 .
