#------------------------------------------------------------------------------
#$Date: 2016-03-24 02:48:13 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179597 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/61/4506101.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_4506101
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 Gd2 N12 Ni4 O14'
_chemical_formula_weight         2469.35
_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                   13.3770(3)
_cell_length_b                   13.3770(3)
_cell_length_c                   18.6505(10)
_cell_measurement_reflns_used    3051
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.41
_cell_measurement_theta_min      3.05
_cell_volume                     2890.27(18)
_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 1.000
_diffrn_measured_fraction_theta_max 1.000
_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  0.0425
_diffrn_reflns_av_sigmaI/netI    0.0264
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            14183
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.76
_exptl_absorpt_coefficient_mu    1.834
_exptl_absorpt_correction_T_max  0.6777
_exptl_absorpt_correction_T_min  0.6471
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    1.419
_exptl_crystal_density_meas      0
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1242
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.23
_refine_diff_density_max         0.904
_refine_diff_density_min         -2.049
_refine_diff_density_rms         0.137
_refine_ls_extinction_coef       0.0008(9)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.064
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     119
_refine_ls_number_reflns         1766
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.064
_refine_ls_R_factor_all          0.1298
_refine_ls_R_factor_gt           0.1101
_refine_ls_shift/su_max          1.370
_refine_ls_shift/su_mean         0.020
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1455P)²+16.0433P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2949
_refine_ls_wR_factor_ref         0.3110
_reflns_number_gt                1318
_reflns_number_total             1766
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg3002509_si_002.cif
_cod_data_source_block           13
_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.

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               4506101
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
C1 C 0.1513(7) 0.4281(7) 0.4227(4) 0.082(3) Uani 1 1 d G
C2 C 0.0609(7) 0.3264(6) 0.4501(5) 0.101(4) Uani 1 1 d G
C3 C 0.0136(7) 0.3267(7) 0.5165(6) 0.119(5) Uani 1 1 d G
H3 H -0.0469 0.2586 0.5349 0.142 Uiso 1 1 calc R
C4 C 0.0568(9) 0.4287(9) 0.5553(4) 0.139(7) Uani 1 1 d G
H4 H 0.0252 0.4289 0.5997 0.167 Uiso 1 1 calc R
C5 C 0.1472(8) 0.5304(7) 0.5278(4) 0.124(5) Uani 1 1 d G
H5 H 0.1761 0.5987 0.5538 0.149 Uiso 1 1 calc R
N1 N 0.1945(6) 0.5301(6) 0.4615(4) 0.099(3) Uani 1 1 d G
C6 C 0.2036(8) 0.4308(10) 0.3586(6) 0.072(3) Uani 1 1 d .
C7 C 0.1670(9) 0.3259(9) 0.3194(7) 0.084(3) Uani 1 1 d .
C8 C 0.0770(10) 0.2305(12) 0.3472(8) 0.103(4) Uani 1 1 d .
H8 H 0.0525 0.1616 0.3226 0.123 Uiso 1 1 calc R
C9 C 0.0185(8) 0.2256(12) 0.4081(8) 0.106(5) Uani 1 1 d .
H9 H -0.0475 0.1578 0.4216 0.128 Uiso 1 1 calc R
C10 C 0.2374(18) 0.3385(19) 0.2500 0.102(6) Uani 1 2 d S
H10 H 0.308(18) 0.414(18) 0(138) 0.122 Uiso 1 2 calc S
C11 C 0.273(2) 0.2336(18) 0.2500 0.125(8) Uani 1 2 d S
H11A H 0.2771 0.2120 0.2985 0.187 Uiso 0.50 1 calc PR
H11B H 0.3464 0.2617 0.2271 0.187 Uiso 0.50 1 calc PR
H11C H 0.2152 0.1676 0.2244 0.187 Uiso 0.50 1 calc PR
Gd1 Gd 0.3333 0.6667 0.2500 0.1045(8) Uani 1 6 d S
H1W H 0.541(10) 0.580(17) 0.2500 0.00(5) Uiso 0.33 2 d SPD
Ni1 Ni 0.3333 0.6667 0.41310(12) 0.0725(8) Uani 1 3 d S
O1 O 0.481(2) 0.587(2) 0.2500 0.061(7) Uani 0.33 2 d SPD
O2 O 0.2906(6) 0.5328(6) 0.3403(4) 0.0717(18) 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'
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'
Ni Ni 0.3393 1.1124 '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
C6 C1 C2 121.9(7) . .
C6 C1 N1 118.1(7) . .
C2 C1 N1 120.0 . .
C1 C2 C3 120.0 . .
C1 C2 C9 117.9(8) . .
C3 C2 C9 122.1(8) . .
C4 C3 C2 120.0 . .
C5 C4 C3 120.0 . .
C4 C5 N1 120.0 . .
C5 N1 C1 120.0 . .
C5 N1 Ni1 126.8(4) . .
C1 N1 Ni1 113.1(4) . .
O2 C6 C1 115.2(10) . .
O2 C6 C7 124.9(10) . .
C1 C6 C7 119.8(10) . .
C8 C7 C6 116.0(12) . .
C8 C7 C10 128.8(14) . .
C6 C7 C10 115.2(12) . .
C7 C8 C9 125.9(14) . .
C8 C9 C2 118.1(11) . .
C7 C10 C7 112.3(16) 10_556 .
C7 C10 C11 108.4(11) 10_556 .
C7 C10 C11 108.4(11) . .
O2 Gd1 O2 93.5(3) 12_566 3_565
O2 Gd1 O2 139.92(13) 12_566 2_665
O2 Gd1 O2 72.8(3) 3_565 2_665
O2 Gd1 O2 72.8(3) 12_566 10_556
O2 Gd1 O2 139.92(13) 3_565 10_556
O2 Gd1 O2 139.92(13) 2_665 10_556
O2 Gd1 O2 72.8(3) 12_566 11_666
O2 Gd1 O2 139.92(13) 3_565 11_666
O2 Gd1 O2 93.5(3) 2_665 11_666
O2 Gd1 O2 72.8(3) 10_556 11_666
O2 Gd1 O2 139.92(13) 12_566 .
O2 Gd1 O2 72.8(3) 3_565 .
O2 Gd1 O2 72.8(3) 2_665 .
O2 Gd1 O2 93.5(3) 10_556 .
O2 Gd1 O2 139.92(13) 11_666 .
O2 Gd1 O1 71.2(4) 12_566 2_665
O2 Gd1 O1 71.2(4) 3_565 2_665
O2 Gd1 O1 68.7(4) 2_665 2_665
O2 Gd1 O1 133.23(17) 10_556 2_665
O2 Gd1 O1 68.7(4) 11_666 2_665
O2 Gd1 O1 133.23(17) . 2_665
O2 Gd1 O1 68.7(4) 12_566 3_565
O2 Gd1 O1 68.7(4) 3_565 3_565
O2 Gd1 O1 133.23(17) 2_665 3_565
O2 Gd1 O1 71.2(5) 10_556 3_565
O2 Gd1 O1 133.23(17) 11_666 3_565
O2 Gd1 O1 71.2(5) . 3_565
O1 Gd1 O1 120.000(3) 2_665 3_565
O2 Gd1 O1 133.23(17) 12_566 .
O2 Gd1 O1 133.23(17) 3_565 .
O2 Gd1 O1 71.2(5) 2_665 .
O2 Gd1 O1 68.7(4) 10_556 .
O2 Gd1 O1 71.2(5) 11_666 .
O2 Gd1 O1 68.7(4) . .
O1 Gd1 O1 120.000(8) 2_665 .
O1 Gd1 O1 120.000(6) 3_565 .
O2 Gd1 Ni1 136.73(17) 12_566 .
O2 Gd1 Ni1 43.27(17) 3_565 .
O2 Gd1 Ni1 43.27(17) 2_665 .
O2 Gd1 Ni1 136.73(17) 10_556 .
O2 Gd1 Ni1 136.73(17) 11_666 .
O2 Gd1 Ni1 43.27(17) . .
O1 Gd1 Ni1 90.000(1) 2_665 .
O1 Gd1 Ni1 90.000(1) 3_565 .
O1 Gd1 Ni1 90.0 . .
O2 Gd1 Ni1 43.27(17) 12_566 10_556
O2 Gd1 Ni1 136.73(17) 3_565 10_556
O2 Gd1 Ni1 136.73(17) 2_665 10_556
O2 Gd1 Ni1 43.27(17) 10_556 10_556
O2 Gd1 Ni1 43.27(17) 11_666 10_556
O2 Gd1 Ni1 136.73(17) . 10_556
O1 Gd1 Ni1 90.000(1) 2_665 10_556
O1 Gd1 Ni1 90.000(1) 3_565 10_556
O1 Gd1 Ni1 90.0 . 10_556
Ni1 Gd1 Ni1 180.0 . 10_556
N1 Ni1 N1 102.1(6) 3_565 .
N1 Ni1 N1 102.1(6) 3_565 2_665
N1 Ni1 N1 102.1(6) . 2_665
N1 Ni1 O2 77.6(5) 3_565 3_565
N1 Ni1 O2 97.9(3) . 3_565
N1 Ni1 O2 159.6(6) 2_665 3_565
N1 Ni1 O2 97.9(6) 3_565 2_665
N1 Ni1 O2 159.6(3) . 2_665
N1 Ni1 O2 77.6(6) 2_665 2_665
O2 Ni1 O2 82.2(3) 3_565 2_665
N1 Ni1 O2 159.6(5) 3_565 .
N1 Ni1 O2 77.6(3) . .
N1 Ni1 O2 97.9(5) 2_665 .
O2 Ni1 O2 82.2(3) 3_565 .
O2 Ni1 O2 82.2(3) 2_665 .
N1 Ni1 Gd1 116.1(6) 3_565 .
N1 Ni1 Gd1 116.1(2) . .
N1 Ni1 Gd1 116.1(6) 2_665 .
O2 Ni1 Gd1 49.39(18) 3_565 .
O2 Ni1 Gd1 49.39(18) 2_665 .
O2 Ni1 Gd1 49.39(18) . .
C6 O2 Ni1 116.0(7) . .
C6 O2 Gd1 137.5(6) . .
Ni1 O2 Gd1 87.3(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C6 1.375(13) .
C1 C2 1.3900 .
C1 N1 1.3900 .
C2 C3 1.3900 .
C2 C9 1.410(16) .
C3 C4 1.3900 .
C4 C5 1.3900 .
C5 N1 1.3900 .
N1 Ni1 2.051(6) .
C6 O2 1.321(12) .
C6 C7 1.434(15) .
C7 C8 1.346(15) .
C7 C10 1.560(16) .
C8 C9 1.363(18) .
C10 C7 1.560(16) 10_556
C10 C11 1.69(3) .
Gd1 O2 2.312(6) 12_566
Gd1 O2 2.312(6) 3_565
Gd1 O2 2.312(6) 2_665
Gd1 O2 2.312(6) 10_556
Gd1 O2 2.312(6) 11_666
Gd1 O2 2.312(6) .
Gd1 O1 2.68(2) 2_665
Gd1 O1 2.68(2) 3_565
Gd1 O1 2.68(2) .
Gd1 Ni1 3.042(2) .
Gd1 Ni1 3.042(2) 10_556
Ni1 N1 2.051(12) 3_565
Ni1 N1 2.051(11) 2_665
Ni1 O2 2.087(7) 3_565
Ni1 O2 2.087(7) 2_665
Ni1 O2 2.087(7) .
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
C6 C1 C2 C3 177.4(8) . .
N1 C1 C2 C3 0.0 . .
C6 C1 C2 C9 -3.9(10) . .
N1 C1 C2 C9 178.7(10) . .
C1 C2 C3 C4 0.0 . .
C9 C2 C3 C4 -178.7(10) . .
C2 C3 C4 C5 0.0 . .
C3 C4 C5 N1 0.0 . .
C4 C5 N1 C1 0.0 . .
C4 C5 N1 Ni1 -176.3(5) . .
C6 C1 N1 C5 -177.5(8) . .
C2 C1 N1 C5 0.0 . .
C6 C1 N1 Ni1 -0.7(8) . .
C2 C1 N1 Ni1 176.7(5) . .
C2 C1 C6 O2 -178.0(6) . .
N1 C1 C6 O2 -0.6(11) . .
C2 C1 C6 C7 -1.8(12) . .
N1 C1 C6 C7 175.6(8) . .
O2 C6 C7 C8 179.5(10) . .
C1 C6 C7 C8 3.7(16) . .
O2 C6 C7 C10 -0.7(17) . .
C1 C6 C7 C10 -176.5(11) . .
C6 C7 C8 C9 0(2) . .
C10 C7 C8 C9 -179.4(14) . .
C7 C8 C9 C2 -6(2) . .
C1 C2 C9 C8 7.6(15) . .
C3 C2 C9 C8 -173.7(10) . .
C8 C7 C10 C7 72(2) . 10_556
C6 C7 C10 C7 -108.1(14) . 10_556
C8 C7 C10 C11 -48(2) . .
C6 C7 C10 C11 132.3(14) . .
C5 N1 Ni1 N1 -23.3(7) . 3_565
C1 N1 Ni1 N1 160.3(6) . 3_565
C5 N1 Ni1 N1 82.1(4) . 2_665
C1 N1 Ni1 N1 -94.4(8) . 2_665
C5 N1 Ni1 O2 -102.2(5) . 3_565
C1 N1 Ni1 O2 81.3(4) . 3_565
C5 N1 Ni1 O2 168.9(8) . 2_665
C1 N1 Ni1 O2 -7.5(10) . 2_665
C5 N1 Ni1 O2 177.7(5) . .
C1 N1 Ni1 O2 1.2(4) . .
C5 N1 Ni1 Gd1 -150.6(4) . .
C1 N1 Ni1 Gd1 32.9(5) . .
O2 Gd1 Ni1 N1 -42.6(6) 12_566 3_565
O2 Gd1 Ni1 N1 -42.6(6) 3_565 3_565
O2 Gd1 Ni1 N1 77.4(6) 2_665 3_565
O2 Gd1 Ni1 N1 -162.6(6) 10_556 3_565
O2 Gd1 Ni1 N1 77.4(6) 11_666 3_565
O2 Gd1 Ni1 N1 -162.6(6) . 3_565
O1 Gd1 Ni1 N1 19.4(9) 2_665 3_565
O1 Gd1 Ni1 N1 -100.6(9) 3_565 3_565
O1 Gd1 Ni1 N1 139.4(9) . 3_565
Ni1 Gd1 Ni1 N1 -47(54) 10_556 3_565
O2 Gd1 Ni1 N1 77.4(3) 12_566 .
O2 Gd1 Ni1 N1 77.4(3) 3_565 .
O2 Gd1 Ni1 N1 -162.6(3) 2_665 .
O2 Gd1 Ni1 N1 -42.6(3) 10_556 .
O2 Gd1 Ni1 N1 -162.6(3) 11_666 .
O2 Gd1 Ni1 N1 -42.6(3) . .
O1 Gd1 Ni1 N1 139.4(7) 2_665 .
O1 Gd1 Ni1 N1 19.4(7) 3_565 .
O1 Gd1 Ni1 N1 -100.6(7) . .
Ni1 Gd1 Ni1 N1 73(100) 10_556 .
O2 Gd1 Ni1 N1 -162.6(7) 12_566 2_665
O2 Gd1 Ni1 N1 -162.6(7) 3_565 2_665
O2 Gd1 Ni1 N1 -42.6(7) 2_665 2_665
O2 Gd1 Ni1 N1 77.4(7) 10_556 2_665
O2 Gd1 Ni1 N1 -42.6(7) 11_666 2_665
O2 Gd1 Ni1 N1 77.4(7) . 2_665
O1 Gd1 Ni1 N1 -100.6(9) 2_665 2_665
O1 Gd1 Ni1 N1 139.4(9) 3_565 2_665
O1 Gd1 Ni1 N1 19.4(9) . 2_665
Ni1 Gd1 Ni1 N1 -167(54) 10_556 2_665
O2 Gd1 Ni1 O2 0.000(2) 12_566 3_565
O2 Gd1 Ni1 O2 120.000(3) 2_665 3_565
O2 Gd1 Ni1 O2 -120.000(3) 10_556 3_565
O2 Gd1 Ni1 O2 120.000(3) 11_666 3_565
O2 Gd1 Ni1 O2 -120.000(3) . 3_565
O1 Gd1 Ni1 O2 62.0(7) 2_665 3_565
O1 Gd1 Ni1 O2 -58.0(7) 3_565 3_565
O1 Gd1 Ni1 O2 -178.0(7) . 3_565
Ni1 Gd1 Ni1 O2 -5(54) 10_556 3_565
O2 Gd1 Ni1 O2 -120.0 12_566 2_665
O2 Gd1 Ni1 O2 -120.0 3_565 2_665
O2 Gd1 Ni1 O2 120.0 10_556 2_665
O2 Gd1 Ni1 O2 0.0 11_666 2_665
O2 Gd1 Ni1 O2 120.0 . 2_665
O1 Gd1 Ni1 O2 -58.0(7) 2_665 2_665
O1 Gd1 Ni1 O2 -178.0(7) 3_565 2_665
O1 Gd1 Ni1 O2 62.0(7) . 2_665
Ni1 Gd1 Ni1 O2 -125(54) 10_556 2_665
O2 Gd1 Ni1 O2 120.000(1) 12_566 .
O2 Gd1 Ni1 O2 120.000(1) 3_565 .
O2 Gd1 Ni1 O2 -120.000(1) 2_665 .
O2 Gd1 Ni1 O2 0.000(1) 10_556 .
O2 Gd1 Ni1 O2 -120.000(1) 11_666 .
O1 Gd1 Ni1 O2 -178.0(7) 2_665 .
O1 Gd1 Ni1 O2 62.0(7) 3_565 .
O1 Gd1 Ni1 O2 -58.0(7) . .
Ni1 Gd1 Ni1 O2 115(100) 10_556 .
C1 C6 O2 Ni1 1.7(10) . .
C7 C6 O2 Ni1 -174.3(8) . .
C1 C6 O2 Gd1 -115.6(10) . .
C7 C6 O2 Gd1 68.4(14) . .
N1 Ni1 O2 C6 -92.9(19) 3_565 .
N1 Ni1 O2 C6 -1.6(6) . .
N1 Ni1 O2 C6 99.1(9) 2_665 .
O2 Ni1 O2 C6 -101.5(7) 3_565 .
O2 Ni1 O2 C6 175.4(7) 2_665 .
Gd1 Ni1 O2 C6 -143.1(7) . .
N1 Ni1 O2 Gd1 50.2(19) 3_565 .
N1 Ni1 O2 Gd1 141.5(3) . .
N1 Ni1 O2 Gd1 -117.8(6) 2_665 .
O2 Ni1 O2 Gd1 41.57(10) 3_565 .
O2 Ni1 O2 Gd1 -41.57(10) 2_665 .
O2 Gd1 O2 C6 14.1(11) 12_566 .
O2 Gd1 O2 C6 88.5(11) 3_565 .
O2 Gd1 O2 C6 165.3(10) 2_665 .
O2 Gd1 O2 C6 -53.1(11) 10_556 .
O2 Gd1 O2 C6 -120.3(11) 11_666 .
O1 Gd1 O2 C6 129.7(13) 2_665 .
O1 Gd1 O2 C6 15.7(11) 3_565 .
O1 Gd1 O2 C6 -118.6(11) . .
Ni1 Gd1 O2 C6 126.9(11) . .
Ni1 Gd1 O2 C6 -53.1(11) 10_556 .
O2 Gd1 O2 Ni1 -112.80(6) 12_566 .
O2 Gd1 O2 Ni1 -38.41(8) 3_565 .
O2 Gd1 O2 Ni1 38.41(8) 2_665 .
O2 Gd1 O2 Ni1 180.0 10_556 .
O2 Gd1 O2 Ni1 112.80(6) 11_666 .
O1 Gd1 O2 Ni1 2.8(10) 2_665 .
O1 Gd1 O2 Ni1 -111.2(6) 3_565 .
O1 Gd1 O2 Ni1 114.5(6) . .
Ni1 Gd1 O2 Ni1 180.000(2) 10_556 .
