#------------------------------------------------------------------------------
#$Date: 2016-03-24 02:47:15 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179596 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/60/4506089.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_4506089
loop_
_publ_author_name
'Zhu, Yan'
'Luo, Feng'
'Song, Yu-mei'
'Feng, Xue-feng'
'Luo, Ming-biao'
'Liao, Zhen-wei'
'Sun, Gong-ming'
'Tian, Xiao-zhao'
'Yuan, Zi-Jun'
_publ_section_title
;
 The First One-Pot Synthesis of Multinuclear 3d-4f Metal--Organic
 Compounds Involving a Polytopic N,O-Donor Ligand Formed in Situ
;
_journal_issue                   5
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              2158
_journal_paper_doi               10.1021/cg3002509
_journal_volume                  12
_journal_year                    2012
_chemical_formula_sum            'C120 H86 Cd4 Gd2 N12 O14'
_chemical_formula_weight         2684.11
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           176
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_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                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            1
_cell_length_a                   13.6046(2)
_cell_length_b                   13.6046(2)
_cell_length_c                   18.3638(6)
_cell_measurement_reflns_used    2393
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      26.98
_cell_measurement_theta_min      2.99
_cell_volume                     2943.50(11)
_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  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_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  0.0618
_diffrn_reflns_av_sigmaI/netI    0.0537
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       5
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            11840
_diffrn_reflns_theta_full        24.98
_diffrn_reflns_theta_max         24.98
_diffrn_reflns_theta_min         2.05
_exptl_absorpt_coefficient_mu    1.884
_exptl_absorpt_correction_T_max  0.7045
_exptl_absorpt_correction_T_min  0.6503
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.514
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             1322
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.20
_refine_diff_density_max         2.186
_refine_diff_density_min         -0.847
_refine_diff_density_rms         0.103
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     132
_refine_ls_number_reflns         1759
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.056
_refine_ls_R_factor_all          0.0836
_refine_ls_R_factor_gt           0.0565
_refine_ls_shift/su_max          4.929
_refine_ls_shift/su_mean         0.094
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0754P)²+4.1806P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1529
_refine_ls_wR_factor_ref         0.1680
_reflns_number_gt                1216
_reflns_number_total             1759
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg3002509_si_002.cif
_cod_data_source_block           1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Hexagonal' changed to 'hexagonal'
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_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      P6(3)/m
_cod_database_code               4506089
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'-x, -y, z+1/2'
'y, -x+y, z+1/2'
'x-y, x, z+1/2'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'x, y, -z-1/2'
'-y, x-y, -z-1/2'
'-x+y, -x, -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
C2 C 0.7176(5) 0.5833(5) 0.0736(3) 0.0594(19) Uani 1 1 d G
C3 C 0.7267(5) 0.6838(4) 0.0483(3) 0.076(2) Uani 1 1 d G
C4 C 0.6826(6) 0.6867(6) -0.0194(4) 0.097(3) Uani 1 1 d G
H4 H 0.6887 0.7539 -0.0364 0.08(2) Uiso 1 1 calc R
C5 C 0.6295(6) 0.5891(7) -0.0619(3) 0.102(4) Uani 1 1 d G
H5 H 0.6000 0.5911 -0.1072 2.0(19) Uiso 1 1 calc R
C1 C 0.6204(6) 0.4886(6) -0.0365(3) 0.096(3) Uani 1 1 d G
H1 H 0.5845 0.4229 -0.0645 0.13(4) Uiso 1 1 calc R
C6 C 0.8825(10) 0.6703(10) 0.2500 0.064(3) Uani 1 2 d S
H6 H 0.881(10) 0.598(10) 0(123) 0.077 Uiso 1 2 calc S
C7 C 0.8298(10) 0.7727(8) 0.1549(5) 0.095(3) Uani 1 1 d .
H7 H 0.8669 0.8375 0.1835 0.09(3) Uiso 1 1 calc R
C8 C 0.7855(10) 0.7807(9) 0.0907(6) 0.107(4) Uani 1 1 d .
H8 H 0.7943 0.8497 0.0752 0.14(4) Uiso 1 1 calc R
C9 C 1.0081(11) 0.7623(13) 0.2500 0.099(5) Uani 1 2 d S
H9A H 1.0158 0.8320 0.2318 0.06(5) Uiso 0.50 1 calc PR
H9B H 1.0500 0.7390 0.2195 2(3) Uiso 0.50 1 calc PR
H9C H 1.0372 0.7737 0.2988 0.08(5) Uiso 0.50 1 calc PR
C10 C 0.8233(7) 0.6723(7) 0.1809(5) 0.066(2) Uani 1 1 d .
C11 C 0.7623(6) 0.5741(6) 0.1412(4) 0.0576(18) Uani 1 1 d .
Cd1 Cd 0.6667 0.3333 0.07222(5) 0.0646(4) Uani 1 3 d S
Gd1 Gd 0.6667 0.3333 0.2500 0.0577(3) Uani 1 6 d S
H1W H 0.9657(19) 0.455(13) 0.2500 0.00(4) Uiso 0.33 2 d SPD
N1 N 0.6648(5) 0.4876(6) 0.0301(3) 0.0701(18) Uani 1 1 d G
O1 O 0.7476(4) 0.4752(4) 0.1621(2) 0.0545(12) Uani 1 1 d .
O2 O 0.8937(12) 0.4249(15) 0.2500 0.042(4) Uani 0.33 2 d SPD
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'
Cd Cd -0.8075 1.2024 '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
C3 C2 N1 118.8(3) . .
C3 C2 C11 123.3(5) . .
N1 C2 C11 117.9(5) . .
C2 C3 C4 120.0 . .
C2 C3 C8 118.2(6) . .
C4 C3 C8 121.7(6) . .
C3 C4 C5 120.0 . .
C1 C5 C4 120.0 . .
C5 C1 N1 119.1(4) . .
C10 C6 C10 114.2(10) . 10_556
C10 C6 C9 111.9(6) . .
C10 C6 C9 111.9(6) 10_556 .
C8 C7 C10 124.1(10) . .
C7 C8 C3 118.7(9) . .
C11 C10 C7 118.4(8) . .
C11 C10 C6 119.8(8) . .
C7 C10 C6 121.9(9) . .
O1 C11 C10 123.1(7) . .
O1 C11 C2 119.6(7) . .
C10 C11 C2 117.2(7) . .
N1 Cd1 N1 108.81(18) 3_665 2_655
N1 Cd1 N1 108.81(18) 3_665 .
N1 Cd1 N1 108.81(18) 2_655 .
N1 Cd1 O1 72.2(2) 3_665 3_665
N1 Cd1 O1 100.4(2) 2_655 3_665
N1 Cd1 O1 148.1(2) . 3_665
N1 Cd1 O1 100.4(2) 3_665 .
N1 Cd1 O1 148.1(2) 2_655 .
N1 Cd1 O1 72.2(2) . .
O1 Cd1 O1 76.22(16) 3_665 .
N1 Cd1 O1 148.1(2) 3_665 2_655
N1 Cd1 O1 72.2(2) 2_655 2_655
N1 Cd1 O1 100.4(2) . 2_655
O1 Cd1 O1 76.22(16) 3_665 2_655
O1 Cd1 O1 76.22(16) . 2_655
N1 Cd1 Gd1 110.13(18) 3_665 .
N1 Cd1 Gd1 110.13(18) 2_655 .
N1 Cd1 Gd1 110.13(18) . .
O1 Cd1 Gd1 45.45(10) 3_665 .
O1 Cd1 Gd1 45.45(10) . .
O1 Cd1 Gd1 45.45(10) 2_655 .
O1 Gd1 O1 87.8(2) 3_665 12_666
O1 Gd1 O1 137.78(8) 3_665 10_556
O1 Gd1 O1 77.19(17) 12_666 10_556
O1 Gd1 O1 77.19(17) 3_665 2_655
O1 Gd1 O1 137.78(8) 12_666 2_655
O1 Gd1 O1 137.78(8) 10_556 2_655
O1 Gd1 O1 77.19(17) 3_665 .
O1 Gd1 O1 137.78(8) 12_666 .
O1 Gd1 O1 87.8(2) 10_556 .
O1 Gd1 O1 77.19(17) 2_655 .
O1 Gd1 O1 137.78(8) 3_665 11_656
O1 Gd1 O1 77.19(17) 12_666 11_656
O1 Gd1 O1 77.19(17) 10_556 11_656
O1 Gd1 O1 87.8(2) 2_655 11_656
O1 Gd1 O1 137.78(8) . 11_656
O1 Gd1 O2 67.7(3) 3_665 .
O1 Gd1 O2 67.7(3) 12_666 .
O1 Gd1 O2 70.1(3) 10_556 .
O1 Gd1 O2 136.06(11) 2_655 .
O1 Gd1 O2 70.1(3) . .
O1 Gd1 O2 136.06(11) 11_656 .
O1 Gd1 O2 70.1(3) 3_665 3_665
O1 Gd1 O2 70.1(3) 12_666 3_665
O1 Gd1 O2 136.06(11) 10_556 3_665
O1 Gd1 O2 67.7(3) 2_655 3_665
O1 Gd1 O2 136.06(11) . 3_665
O1 Gd1 O2 67.7(3) 11_656 3_665
O2 Gd1 O2 120.0 . 3_665
O1 Gd1 O2 136.06(11) 3_665 2_655
O1 Gd1 O2 136.05(11) 12_666 2_655
O1 Gd1 O2 67.7(3) 10_556 2_655
O1 Gd1 O2 70.1(3) 2_655 2_655
O1 Gd1 O2 67.7(3) . 2_655
O1 Gd1 O2 70.1(3) 11_656 2_655
O2 Gd1 O2 120.000(4) . 2_655
O2 Gd1 O2 120.000(4) 3_665 2_655
O1 Gd1 Cd1 46.08(11) 3_665 .
O1 Gd1 Cd1 133.92(11) 12_666 .
O1 Gd1 Cd1 133.92(11) 10_556 .
O1 Gd1 Cd1 46.08(11) 2_655 .
O1 Gd1 Cd1 46.08(11) . .
O1 Gd1 Cd1 133.92(11) 11_656 .
O2 Gd1 Cd1 90.000(1) . .
O2 Gd1 Cd1 90.000(1) 3_665 .
O2 Gd1 Cd1 90.0 2_655 .
O1 Gd1 Cd1 133.92(11) 3_665 10_556
O1 Gd1 Cd1 46.08(11) 12_666 10_556
O1 Gd1 Cd1 46.08(11) 10_556 10_556
O1 Gd1 Cd1 133.92(11) 2_655 10_556
O1 Gd1 Cd1 133.92(11) . 10_556
O1 Gd1 Cd1 46.08(11) 11_656 10_556
O2 Gd1 Cd1 90.000(1) . 10_556
O2 Gd1 Cd1 90.000(1) 3_665 10_556
O2 Gd1 Cd1 90.0 2_655 10_556
Cd1 Gd1 Cd1 180.0 . 10_556
C1 N1 C2 122.1(6) . .
C1 N1 Cd1 121.9(5) . .
C2 N1 Cd1 115.9(4) . .
C11 O1 Gd1 144.9(4) . .
C11 O1 Cd1 113.8(4) . .
Gd1 O1 Cd1 88.47(16) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C2 C3 1.3900 .
C2 N1 1.383(9) .
C2 C11 1.414(8) .
C3 C4 1.3900 .
C3 C8 1.389(13) .
C4 C5 1.3900 .
C5 C1 1.3900 .
C1 N1 1.368(8) .
C6 C10 1.510(10) .
C6 C10 1.510(10) 10_556
C6 C9 1.532(17) .
C7 C8 1.353(13) .
C7 C10 1.408(11) .
C10 C11 1.377(11) .
C11 O1 1.316(8) .
Cd1 N1 2.248(7) 3_665
Cd1 N1 2.248(7) 2_655
Cd1 N1 2.248(7) .
Cd1 O1 2.353(5) 3_665
Cd1 O1 2.353(5) .
Cd1 O1 2.353(5) 2_655
Cd1 Gd1 3.2647(9) .
Gd1 O1 2.327(4) 3_665
Gd1 O1 2.327(4) 12_666
Gd1 O1 2.327(4) 10_556
Gd1 O1 2.327(4) 2_655
Gd1 O1 2.327(4) .
Gd1 O1 2.327(4) 11_656
Gd1 O2 2.692(14) .
Gd1 O2 2.692(14) 3_665
Gd1 O2 2.692(14) 2_655
Gd1 Cd1 3.2647(9) 10_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
N1 C2 C3 C4 0.4(5) . .
C11 C2 C3 C4 178.7(6) . .
N1 C2 C3 C8 -176.4(8) . .
C11 C2 C3 C8 1.9(9) . .
C2 C3 C4 C5 0.0 . .
C8 C3 C4 C5 176.6(8) . .
C3 C4 C5 C1 0.0 . .
C4 C5 C1 N1 -0.4(5) . .
C10 C7 C8 C3 2.0(17) . .
C2 C3 C8 C7 -0.9(13) . .
C4 C3 C8 C7 -177.6(8) . .
C8 C7 C10 C11 -4.1(16) . .
C8 C7 C10 C6 174.8(10) . .
C10 C6 C10 C11 -103.9(10) 10_556 .
C9 C6 C10 C11 127.7(10) . .
C10 C6 C10 C7 77.1(13) 10_556 .
C9 C6 C10 C7 -51.3(13) . .
C7 C10 C11 O1 -177.5(8) . .
C6 C10 C11 O1 3.5(12) . .
C7 C10 C11 C2 4.8(12) . .
C6 C10 C11 C2 -174.2(7) . .
C3 C2 C11 O1 178.3(5) . .
N1 C2 C11 O1 -3.4(10) . .
C3 C2 C11 C10 -3.9(10) . .
N1 C2 C11 C10 174.4(7) . .
N1 Cd1 Gd1 O1 -35.2(2) 3_665 3_665
N1 Cd1 Gd1 O1 84.8(2) 2_655 3_665
N1 Cd1 Gd1 O1 -155.2(2) . 3_665
O1 Cd1 Gd1 O1 -120.0 . 3_665
O1 Cd1 Gd1 O1 120.000(1) 2_655 3_665
N1 Cd1 Gd1 O1 -35.2(2) 3_665 12_666
N1 Cd1 Gd1 O1 84.8(2) 2_655 12_666
N1 Cd1 Gd1 O1 -155.2(2) . 12_666
O1 Cd1 Gd1 O1 0.000(1) 3_665 12_666
O1 Cd1 Gd1 O1 -120.000(1) . 12_666
O1 Cd1 Gd1 O1 120.000(1) 2_655 12_666
N1 Cd1 Gd1 O1 84.8(2) 3_665 10_556
N1 Cd1 Gd1 O1 -155.2(2) 2_655 10_556
N1 Cd1 Gd1 O1 -35.2(2) . 10_556
O1 Cd1 Gd1 O1 120.0 3_665 10_556
O1 Cd1 Gd1 O1 0.0 . 10_556
O1 Cd1 Gd1 O1 -120.0 2_655 10_556
N1 Cd1 Gd1 O1 -155.2(2) 3_665 2_655
N1 Cd1 Gd1 O1 -35.2(2) 2_655 2_655
N1 Cd1 Gd1 O1 84.8(2) . 2_655
O1 Cd1 Gd1 O1 -120.0 3_665 2_655
O1 Cd1 Gd1 O1 120.0 . 2_655
N1 Cd1 Gd1 O1 84.8(2) 3_665 .
N1 Cd1 Gd1 O1 -155.2(2) 2_655 .
N1 Cd1 Gd1 O1 -35.2(2) . .
O1 Cd1 Gd1 O1 120.0 3_665 .
O1 Cd1 Gd1 O1 -120.0 2_655 .
N1 Cd1 Gd1 O1 -155.2(2) 3_665 11_656
N1 Cd1 Gd1 O1 -35.2(2) 2_655 11_656
N1 Cd1 Gd1 O1 84.8(2) . 11_656
O1 Cd1 Gd1 O1 -120.0 3_665 11_656
O1 Cd1 Gd1 O1 120.0 . 11_656
O1 Cd1 Gd1 O1 0.0 2_655 11_656
N1 Cd1 Gd1 O2 23.0(4) 3_665 .
N1 Cd1 Gd1 O2 143.0(4) 2_655 .
N1 Cd1 Gd1 O2 -97.0(4) . .
O1 Cd1 Gd1 O2 58.3(4) 3_665 .
O1 Cd1 Gd1 O2 -61.7(4) . .
O1 Cd1 Gd1 O2 178.3(4) 2_655 .
N1 Cd1 Gd1 O2 -97.0(4) 3_665 3_665
N1 Cd1 Gd1 O2 23.0(4) 2_655 3_665
N1 Cd1 Gd1 O2 143.0(4) . 3_665
O1 Cd1 Gd1 O2 -61.7(4) 3_665 3_665
O1 Cd1 Gd1 O2 178.3(4) . 3_665
O1 Cd1 Gd1 O2 58.3(4) 2_655 3_665
N1 Cd1 Gd1 O2 143.0(4) 3_665 2_655
N1 Cd1 Gd1 O2 -97.0(4) 2_655 2_655
N1 Cd1 Gd1 O2 23.0(4) . 2_655
O1 Cd1 Gd1 O2 178.3(4) 3_665 2_655
O1 Cd1 Gd1 O2 58.3(4) . 2_655
O1 Cd1 Gd1 O2 -61.7(4) 2_655 2_655
N1 Cd1 Gd1 Cd1 153(100) 3_665 10_556
N1 Cd1 Gd1 Cd1 -87(100) 2_655 10_556
N1 Cd1 Gd1 Cd1 33(100) . 10_556
O1 Cd1 Gd1 Cd1 -172(100) 3_665 10_556
O1 Cd1 Gd1 Cd1 68(100) . 10_556
O1 Cd1 Gd1 Cd1 -52(100) 2_655 10_556
C5 C1 N1 C2 0.8(10) . .
C5 C1 N1 Cd1 -175.2(4) . .
C3 C2 N1 C1 -0.8(10) . .
C11 C2 N1 C1 -179.2(6) . .
C3 C2 N1 Cd1 175.4(4) . .
C11 C2 N1 Cd1 -3.0(8) . .
N1 Cd1 N1 C1 85.9(5) 3_665 .
N1 Cd1 N1 C1 -32.6(6) 2_655 .
O1 Cd1 N1 C1 172.2(5) 3_665 .
O1 Cd1 N1 C1 -178.9(6) . .
O1 Cd1 N1 C1 -107.2(5) 2_655 .
Gd1 Cd1 N1 C1 -153.4(5) . .
N1 Cd1 N1 C2 -90.3(6) 3_665 .
N1 Cd1 N1 C2 151.3(5) 2_655 .
O1 Cd1 N1 C2 -3.9(7) 3_665 .
O1 Cd1 N1 C2 4.9(4) . .
O1 Cd1 N1 C2 76.7(5) 2_655 .
Gd1 Cd1 N1 C2 30.5(5) . .
C10 C11 O1 Gd1 64.8(11) . .
C2 C11 O1 Gd1 -117.6(7) . .
C10 C11 O1 Cd1 -170.0(6) . .
C2 C11 O1 Cd1 7.6(8) . .
O1 Gd1 O1 C11 171.4(8) 3_665 .
O1 Gd1 O1 C11 -116.6(9) 12_666 .
O1 Gd1 O1 C11 -48.4(9) 10_556 .
O1 Gd1 O1 C11 91.8(9) 2_655 .
O1 Gd1 O1 C11 19.8(8) 11_656 .
O2 Gd1 O1 C11 -117.9(9) . .
O2 Gd1 O1 C11 129.1(9) 3_665 .
O2 Gd1 O1 C11 18.4(8) 2_655 .
Cd1 Gd1 O1 C11 131.6(9) . .
Cd1 Gd1 O1 C11 -48.4(9) 10_556 .
O1 Gd1 O1 Cd1 39.77(6) 3_665 .
O1 Gd1 O1 Cd1 111.82(4) 12_666 .
O1 Gd1 O1 Cd1 180.0 10_556 .
O1 Gd1 O1 Cd1 -39.77(6) 2_655 .
O1 Gd1 O1 Cd1 -111.82(4) 11_656 .
O2 Gd1 O1 Cd1 110.5(3) . .
O2 Gd1 O1 Cd1 -2.5(6) 3_665 .
O2 Gd1 O1 Cd1 -113.2(4) 2_655 .
Cd1 Gd1 O1 Cd1 180.0 10_556 .
N1 Cd1 O1 C11 100.0(5) 3_665 .
N1 Cd1 O1 C11 -103.8(5) 2_655 .
N1 Cd1 O1 C11 -6.6(5) . .
O1 Cd1 O1 C11 168.6(5) 3_665 .
O1 Cd1 O1 C11 -112.5(6) 2_655 .
Gd1 Cd1 O1 C11 -151.9(5) . .
N1 Cd1 O1 Gd1 -108.1(2) 3_665 .
N1 Cd1 O1 Gd1 48.1(4) 2_655 .
N1 Cd1 O1 Gd1 145.3(2) . .
O1 Cd1 O1 Gd1 -39.45(5) 3_665 .
O1 Cd1 O1 Gd1 39.45(5) 2_655 .
