#------------------------------------------------------------------------------
#$Date: 2016-03-26 20:46:48 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180448 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/17/7211741.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_7211741
loop_
_publ_author_name
'Feng, Xun'
'Wang, Li-Ya'
'Zhao, Jian-She'
'Wang, Jian-Ge'
'Weng, Ng Seik'
'Liu, Bin'
'Shi, Xin-Ge'
_publ_section_title
;
 Series of anion-directed lanthanide-rigid-flexible frameworks: syntheses,
 structures, luminescence and magnetic properties
;
_journal_issue                   3
_journal_name_full               CrystEngComm
_journal_page_first              774
_journal_paper_doi               10.1039/b913977j
_journal_volume                  12
_journal_year                    2010
_chemical_formula_sum            'C11 H17 Gd2 N O19'
_chemical_formula_weight         781.76
_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                94.0010(10)
_cell_angle_beta                 103.3020(10)
_cell_angle_gamma                107.7200(10)
_cell_formula_units_Z            2
_cell_length_a                   8.2119(10)
_cell_length_b                   10.5846(13)
_cell_length_c                   13.0751(16)
_cell_measurement_reflns_used    4268
_cell_measurement_temperature    294(2)
_cell_measurement_theta_max      0.00
_cell_measurement_theta_min      0.00
_cell_volume                     1041.5(2)
_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      294(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_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  0.0171
_diffrn_reflns_av_sigmaI/netI    0.0258
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            7967
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         2.41
_exptl_absorpt_coefficient_mu    6.409
_exptl_absorpt_correction_T_max  0.5135
_exptl_absorpt_correction_T_min  0.4088
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.493
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             740
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.12
_refine_diff_density_max         1.085
_refine_diff_density_min         -0.896
_refine_diff_density_rms         0.121
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     298
_refine_ls_number_reflns         3852
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.028
_refine_ls_R_factor_all          0.0269
_refine_ls_R_factor_gt           0.0222
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0202P)²+1.9648P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0475
_refine_ls_wR_factor_ref         0.0501
_reflns_number_gt                3422
_reflns_number_total             3852
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b913977j.txt
_cod_data_source_block           4b
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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               7211741
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
Gd1 Gd 0.27739(2) 0.178941(18) 0.395205(15) 0.01371(6) Uani 1 1 d .
Gd2 Gd 0.82831(3) 0.528626(19) 0.188533(15) 0.01434(6) Uani 1 1 d .
O1 O 0.4521(4) 0.3186(3) 0.2924(2) 0.0247(7) Uani 1 1 d .
O2 O 0.5446(4) 0.3582(3) 0.1459(2) 0.0281(7) Uani 1 1 d .
O3 O 0.0783(4) -0.0513(3) 0.3392(2) 0.0231(7) Uani 1 1 d .
O4 O -0.0380(4) -0.2434(3) 0.2269(3) 0.0302(8) Uani 1 1 d .
O5 O 0.0143(4) 0.1892(3) 0.2717(2) 0.0244(7) Uani 1 1 d .
O6 O -0.1318(4) 0.3164(3) 0.1896(3) 0.0344(8) Uani 1 1 d .
O7 O 0.2376(4) 0.4073(3) 0.4088(2) 0.0204(6) Uani 1 1 d .
O8 O 0.0685(4) 0.5275(3) 0.3384(2) 0.0212(6) Uani 1 1 d .
O9 O 0.5197(4) 0.0893(3) 0.3932(2) 0.0222(7) Uani 1 1 d .
O10 O 0.6656(4) -0.0471(3) 0.4614(2) 0.0231(7) Uani 1 1 d .
O11 O 1.1042(4) 0.5694(3) 0.1319(2) 0.0295(7) Uani 1 1 d .
O12 O 1.2214(4) 0.5260(3) 0.0000(2) 0.0264(7) Uani 1 1 d .
N1 N 0.2493(4) 0.0735(3) 0.2089(3) 0.0171(7) Uani 1 1 d .
C1 C 0.3397(6) 0.1440(4) 0.1462(3) 0.0205(9) Uani 1 1 d .
C2 C 0.3291(7) 0.0878(5) 0.0447(4) 0.0356(12) Uani 1 1 d .
H2 H 0.3931 0.1378 0.0025 0.043 Uiso 1 1 calc R
C3 C 0.2219(8) -0.0440(5) 0.0072(4) 0.0420(14) Uani 1 1 d .
H3 H 0.2136 -0.0842 -0.0602 0.050 Uiso 1 1 calc R
C4 C 0.1271(7) -0.1150(5) 0.0722(4) 0.0326(12) Uani 1 1 d .
H4 H 0.0520 -0.2028 0.0481 0.039 Uiso 1 1 calc R
C5 C 0.1452(5) -0.0538(4) 0.1728(3) 0.0189(9) Uani 1 1 d .
C6 C 0.4548(5) 0.2843(4) 0.1980(3) 0.0205(9) Uani 1 1 d .
C7 C 0.0550(6) -0.1222(4) 0.2523(3) 0.0208(9) Uani 1 1 d .
C8 C -0.0131(6) 0.2981(4) 0.2611(3) 0.0211(9) Uani 1 1 d .
C9 C 0.1093(5) 0.4224(4) 0.3439(3) 0.0179(9) Uani 1 1 d .
C10 C 0.5539(5) 0.0117(4) 0.4580(3) 0.0181(9) Uani 1 1 d .
C11 C 1.0941(5) 0.5275(4) 0.0385(3) 0.0203(9) Uani 1 1 d .
O13 O 0.0912(4) 0.1850(3) 0.5131(2) 0.0272(7) Uani 1 1 d .
H1W H 0.0131 0.2205 0.4930 0.041 Uiso 1 1 d R
H2W H 0.0648 0.1380 0.5595 0.041 Uiso 1 1 d R
O14 O 0.5148(4) 0.3292(3) 0.5378(2) 0.0285(7) Uani 1 1 d .
H3W H 0.5830 0.4058 0.5391 0.043 Uiso 1 1 d R
H4W H 0.5287 0.3081 0.5984 0.043 Uiso 1 1 d R
O15 O 0.7185(4) 0.5603(3) 0.3373(3) 0.0345(8) Uani 1 1 d .
H5W H 0.6277 0.5026 0.3423 0.052 Uiso 1 1 d R
H6W H 0.7583 0.6219 0.3880 0.052 Uiso 1 1 d R
O16 O 0.6092(5) 0.6344(4) 0.1115(3) 0.0446(10) Uani 1 1 d .
H7W H 0.6515 0.6974 0.0809 0.067 Uiso 1 1 d R
H8W H 0.5015 0.5979 0.0850 0.067 Uiso 1 1 d R
O17 O 0.8546(4) 0.3091(3) 0.4595(3) 0.0339(8) Uani 1 1 d .
H9W H 0.8615 0.3472 0.5182 0.051 Uiso 1 1 d R
H10W H 0.7580 0.2499 0.4342 0.051 Uiso 1 1 d R
O18 O 1.4166(8) 0.7411(5) 0.2678(4) 0.147(3) Uani 1 1 d .
H11W H 1.5027 0.7786 0.2443 0.220 Uiso 1 1 d R
H12W H 1.3290 0.6952 0.2180 0.220 Uiso 1 1 d R
O19 O 0.6543(7) -0.0381(6) 0.2236(4) 0.120(3) Uani 1 1 d .
H13W H 0.6608 -0.0587 0.2853 0.180 Uiso 1 1 d R
H14W H 0.6858 0.0431 0.2260 0.180 Uiso 1 1 d R
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'
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
O14 Gd1 O5 136.71(10) . .
O14 Gd1 O13 85.25(11) . .
O5 Gd1 O13 79.10(10) . .
O14 Gd1 O3 144.13(10) . .
O5 Gd1 O3 73.62(10) . .
O13 Gd1 O3 83.18(10) . .
O14 Gd1 O1 80.06(10) . .
O5 Gd1 O1 88.06(10) . .
O13 Gd1 O1 142.12(10) . .
O3 Gd1 O1 127.19(10) . .
O14 Gd1 O9 78.27(10) . .
O5 Gd1 O9 138.24(10) . .
O13 Gd1 O9 135.51(10) . .
O3 Gd1 O9 86.60(10) . .
O1 Gd1 O9 75.02(10) . .
O14 Gd1 O10 73.14(10) . 2_656
O5 Gd1 O10 134.83(10) . 2_656
O13 Gd1 O10 69.71(10) . 2_656
O3 Gd1 O10 71.00(10) . 2_656
O1 Gd1 O10 136.10(10) . 2_656
O9 Gd1 O10 66.01(9) . 2_656
O14 Gd1 O7 71.04(9) . .
O5 Gd1 O7 65.73(9) . .
O13 Gd1 O7 71.18(10) . .
O3 Gd1 O7 134.97(10) . .
O1 Gd1 O7 71.04(10) . .
O9 Gd1 O7 137.27(9) . .
O10 Gd1 O7 128.21(9) 2_656 .
O14 Gd1 N1 135.70(11) . .
O5 Gd1 N1 69.18(10) . .
O13 Gd1 N1 139.04(11) . .
O3 Gd1 N1 63.79(10) . .
O1 Gd1 N1 63.40(10) . .
O9 Gd1 N1 69.10(10) . .
O10 Gd1 N1 116.53(10) 2_656 .
O7 Gd1 N1 115.25(10) . .
O4 Gd2 O6 146.28(12) 1_665 1_655
O4 Gd2 O15 83.46(11) 1_665 .
O6 Gd2 O15 105.64(12) 1_655 .
O4 Gd2 O2 142.04(11) 1_665 .
O6 Gd2 O2 71.09(11) 1_655 .
O15 Gd2 O2 76.30(11) . .
O4 Gd2 O12 105.61(11) 1_665 2_765
O6 Gd2 O12 82.82(11) 1_655 2_765
O15 Gd2 O12 150.05(11) . 2_765
O2 Gd2 O12 79.67(10) . 2_765
O4 Gd2 O8 83.63(11) 1_665 1_655
O6 Gd2 O8 67.61(10) 1_655 1_655
O15 Gd2 O8 76.98(11) . 1_655
O2 Gd2 O8 121.44(10) . 1_655
O12 Gd2 O8 131.68(10) 2_765 1_655
O4 Gd2 O16 71.79(12) 1_665 .
O6 Gd2 O16 141.15(11) 1_655 .
O15 Gd2 O16 80.16(12) . .
O2 Gd2 O16 73.31(12) . .
O12 Gd2 O16 75.99(12) 2_765 .
O8 Gd2 O16 148.05(11) 1_655 .
O4 Gd2 O11 75.81(11) 1_665 .
O6 Gd2 O11 78.15(12) 1_655 .
O15 Gd2 O11 142.88(10) . .
O2 Gd2 O11 136.58(10) . .
O12 Gd2 O11 66.51(10) 2_765 .
O8 Gd2 O11 70.47(10) 1_655 .
O16 Gd2 O11 120.42(12) . .
C6 O1 Gd1 125.9(3) . .
C6 O2 Gd2 135.0(3) . .
C7 O3 Gd1 125.2(3) . .
C7 O4 Gd2 172.0(3) . 1_445
C8 O5 Gd1 121.5(3) . .
C8 O6 Gd2 120.8(3) . 1_455
C9 O7 Gd1 118.0(3) . .
C9 O8 Gd2 118.2(3) . 1_455
C10 O9 Gd1 120.2(3) . .
C10 O9 O17 99.3(2) . .
Gd1 O9 O17 108.89(12) . .
C10 O10 Gd1 120.2(3) . 2_656
C10 O10 O19 92.9(3) . .
Gd1 O10 O19 141.98(18) 2_656 .
C11 O11 Gd2 118.7(3) . .
C11 O11 O18 122.1(3) . .
Gd2 O11 O18 118.4(2) . .
C11 O12 Gd2 120.2(3) . 2_765
C5 N1 C1 119.6(4) . .
C5 N1 Gd1 119.9(3) . .
C1 N1 Gd1 120.5(3) . .
N1 C1 C2 121.6(4) . .
N1 C1 C6 113.9(4) . .
C2 C1 C6 124.5(4) . .
C3 C2 C1 119.0(4) . .
C3 C2 H2 120.5 . .
C1 C2 H2 120.5 . .
C2 C3 C4 118.8(5) . .
C2 C3 H3 120.6 . .
C4 C3 H3 120.6 . .
C5 C4 C3 119.4(4) . .
C5 C4 H4 120.3 . .
C3 C4 H4 120.3 . .
N1 C5 C4 121.6(4) . .
N1 C5 C7 114.1(4) . .
C4 C5 C7 124.3(4) . .
O2 C6 O1 124.9(4) . .
O2 C6 C1 118.7(4) . .
O1 C6 C1 116.4(4) . .
O4 C7 O3 125.0(4) . .
O4 C7 C5 118.2(4) . .
O3 C7 C5 116.8(4) . .
O5 C8 O6 126.0(4) . .
O5 C8 C9 117.3(4) . .
O6 C8 C9 116.6(4) . .
O7 C9 O8 127.1(4) . .
O7 C9 C8 116.6(4) . .
O8 C9 C8 116.3(4) . .
O10 C10 O9 126.8(4) . .
O10 C10 C10 117.0(4) . 2_656
O9 C10 C10 116.2(4) . 2_656
O11 C11 O12 126.8(4) . .
O11 C11 C11 116.5(5) . 2_765
O12 C11 C11 116.7(5) . 2_765
Gd1 O13 H1W 115.8 . .
Gd1 O13 H2W 131.8 . .
H1W O13 H2W 108.9 . .
Gd1 O14 H3W 130.7 . .
Gd1 O14 H4W 118.6 . .
H3W O14 H4W 110.4 . .
Gd2 O15 H5W 118.4 . .
Gd2 O15 H6W 129.6 . .
H5W O15 H6W 112.0 . .
Gd2 O16 H7W 112.1 . .
Gd2 O16 H8W 127.9 . .
H7W O16 H8W 111.8 . .
O9 O17 H9W 107.8 . .
O9 O17 H10W 6.5 . .
H9W O17 H10W 112.1 . .
O11 O18 H11W 120.5 . .
O11 O18 H12W 10.1 . .
H11W O18 H12W 110.7 . .
O10 O19 H13W 14.0 . .
O10 O19 H14W 98.0 . .
H13W O19 H14W 110.6 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Gd1 O14 2.415(3) .
Gd1 O5 2.419(3) .
Gd1 O13 2.419(3) .
Gd1 O3 2.433(3) .
Gd1 O1 2.435(3) .
Gd1 O9 2.455(3) .
Gd1 O10 2.458(3) 2_656
Gd1 O7 2.536(3) .
Gd1 N1 2.538(3) .
Gd2 O4 2.290(3) 1_665
Gd2 O6 2.367(3) 1_655
Gd2 O15 2.368(3) .
Gd2 O2 2.387(3) .
Gd2 O12 2.402(3) 2_765
Gd2 O8 2.443(3) 1_655
Gd2 O16 2.460(3) .
Gd2 O11 2.468(3) .
O1 C6 1.269(5) .
O2 C6 1.255(5) .
O3 C7 1.259(5) .
O4 C7 1.253(5) .
O4 Gd2 2.290(3) 1_445
O5 C8 1.250(5) .
O6 C8 1.258(5) .
O6 Gd2 2.367(3) 1_455
O7 C9 1.251(5) .
O8 C9 1.258(5) .
O8 Gd2 2.443(3) 1_455
O9 C10 1.265(5) .
O9 O17 2.908(4) .
O10 C10 1.250(5) .
O10 Gd1 2.458(3) 2_656
O10 O19 3.098(6) .
O11 C11 1.244(5) .
O11 O18 2.766(5) .
O12 C11 1.265(5) .
O12 Gd2 2.402(3) 2_765
N1 C5 1.339(5) .
N1 C1 1.344(5) .
C1 C2 1.389(6) .
C1 C6 1.505(6) .
C2 C3 1.385(7) .
C2 H2 0.9300 .
C3 C4 1.389(7) .
C3 H3 0.9300 .
C4 C5 1.380(6) .
C4 H4 0.9300 .
C5 C7 1.511(6) .
C8 C9 1.552(6) .
C10 C10 1.550(8) 2_656
C11 C11 1.547(8) 2_765
O13 H1W 0.8393 .
O13 H2W 0.8360 .
O14 H3W 0.8296 .
O14 H4W 0.8305 .
O15 H5W 0.8275 .
O15 H6W 0.8264 .
O16 H7W 0.8286 .
O16 H8W 0.8271 .
O17 H9W 0.8238 .
O17 H10W 0.8246 .
O18 H11W 0.8354 .
O18 H12W 0.8391 .
O19 H13W 0.8437 .
O19 H14W 0.8141 .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O13 H1W O17 0.84 1.82 2.654(4) 174.9 1_455
O13 H2W O3 0.84 2.05 2.844(4) 158.1 2_556
O14 H3W O7 0.83 2.03 2.832(4) 162.3 2_666
O14 H4W O18 0.83 1.86 2.682(6) 173.6 2_766
O15 H5W O1 0.83 1.99 2.733(4) 148.2 .
O15 H6W O13 0.83 2.17 2.971(5) 161.7 2_666
O16 H8W O12 0.83 2.18 2.998(4) 171.2 1_455
O17 H9W O8 0.82 2.07 2.882(4) 167.0 2_666
O17 H10W O9 0.82 2.09 2.908(4) 171.0 .
O18 H11W O19 0.84 2.04 2.745(7) 142.3 1_665
O18 H12W O11 0.84 1.95 2.766(5) 165.5 .
O19 H13W O10 0.84 2.29 3.098(6) 160.9 .
O19 H14W O5 0.81 2.57 3.087(6) 122.5 1_655
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
O14 Gd1 O1 C6 154.8(3) . .
O5 Gd1 O1 C6 -67.1(3) . .
O13 Gd1 O1 C6 -136.5(3) . .
O3 Gd1 O1 C6 0.6(4) . .
O9 Gd1 O1 C6 74.4(3) . .
O10 Gd1 O1 C6 102.1(3) 2_656 .
O7 Gd1 O1 C6 -132.0(3) . .
N1 Gd1 O1 C6 0.6(3) . .
O4 Gd2 O2 C6 -95.9(4) 1_665 .
O6 Gd2 O2 C6 76.1(4) 1_655 .
O15 Gd2 O2 C6 -36.1(4) . .
O12 Gd2 O2 C6 161.9(4) 2_765 .
O8 Gd2 O2 C6 29.0(4) 1_655 .
O16 Gd2 O2 C6 -119.7(4) . .
O11 Gd2 O2 C6 123.4(4) . .
O14 Gd1 O3 C7 -128.8(3) . .
O5 Gd1 O3 C7 78.5(3) . .
O13 Gd1 O3 C7 159.1(3) . .
O1 Gd1 O3 C7 4.0(4) . .
O9 Gd1 O3 C7 -64.3(3) . .
O10 Gd1 O3 C7 -130.0(3) 2_656 .
O7 Gd1 O3 C7 104.5(3) . .
N1 Gd1 O3 C7 4.1(3) . .
O14 Gd1 O5 C8 11.0(4) . .
O13 Gd1 O5 C8 81.9(3) . .
O3 Gd1 O5 C8 167.9(3) . .
O1 Gd1 O5 C8 -62.2(3) . .
O9 Gd1 O5 C8 -127.0(3) . .
O10 Gd1 O5 C8 128.4(3) 2_656 .
O7 Gd1 O5 C8 7.8(3) . .
N1 Gd1 O5 C8 -124.4(3) . .
O14 Gd1 O7 C9 178.9(3) . .
O5 Gd1 O7 C9 -3.5(3) . .
O13 Gd1 O7 C9 -89.7(3) . .
O3 Gd1 O7 C9 -30.9(3) . .
O1 Gd1 O7 C9 93.2(3) . .
O9 Gd1 O7 C9 132.4(3) . .
O10 Gd1 O7 C9 -132.5(3) 2_656 .
N1 Gd1 O7 C9 46.4(3) . .
O14 Gd1 O9 C10 81.7(3) . .
O5 Gd1 O9 C10 -126.2(3) . .
O13 Gd1 O9 C10 11.1(4) . .
O3 Gd1 O9 C10 -65.5(3) . .
O1 Gd1 O9 C10 164.5(3) . .
O10 Gd1 O9 C10 5.2(3) 2_656 .
O7 Gd1 O9 C10 126.2(3) . .
N1 Gd1 O9 C10 -128.7(3) . .
O14 Gd1 O9 O17 -31.68(12) . .
O5 Gd1 O9 O17 120.41(15) . .
O13 Gd1 O9 O17 -102.28(16) . .
O3 Gd1 O9 O17 -178.97(13) . .
O1 Gd1 O9 O17 51.03(12) . .
O10 Gd1 O9 O17 -108.27(14) 2_656 .
O7 Gd1 O9 O17 12.78(19) . .
N1 Gd1 O9 O17 117.83(14) . .
O4 Gd2 O11 C11 -124.2(3) 1_665 .
O6 Gd2 O11 C11 77.4(3) 1_655 .
O15 Gd2 O11 C11 177.8(3) . .
O2 Gd2 O11 C11 32.1(4) . .
O12 Gd2 O11 C11 -9.8(3) 2_765 .
O8 Gd2 O11 C11 147.6(3) 1_655 .
O16 Gd2 O11 C11 -65.7(4) . .
O4 Gd2 O11 O18 46.01(19) 1_665 .
O6 Gd2 O11 O18 -112.38(19) 1_655 .
O15 Gd2 O11 O18 -12.1(3) . .
O2 Gd2 O11 O18 -157.67(18) . .
O12 Gd2 O11 O18 160.4(2) 2_765 .
O8 Gd2 O11 O18 -42.17(18) 1_655 .
O16 Gd2 O11 O18 104.5(2) . .
O14 Gd1 N1 C5 140.7(3) . .
O5 Gd1 N1 C5 -82.8(3) . .
O13 Gd1 N1 C5 -41.1(4) . .
O3 Gd1 N1 C5 -1.4(3) . .
O1 Gd1 N1 C5 178.6(3) . .
O9 Gd1 N1 C5 95.4(3) . .
O10 Gd1 N1 C5 48.0(3) 2_656 .
O7 Gd1 N1 C5 -131.1(3) . .
O14 Gd1 N1 C1 -38.6(4) . .
O5 Gd1 N1 C1 97.9(3) . .
O13 Gd1 N1 C1 139.6(3) . .
O3 Gd1 N1 C1 179.3(3) . .
O1 Gd1 N1 C1 -0.7(3) . .
O9 Gd1 N1 C1 -83.9(3) . .
O10 Gd1 N1 C1 -131.3(3) 2_656 .
O7 Gd1 N1 C1 49.6(3) . .
C5 N1 C1 C2 -0.5(6) . .
Gd1 N1 C1 C2 178.8(3) . .
C5 N1 C1 C6 -178.5(4) . .
Gd1 N1 C1 C6 0.8(5) . .
N1 C1 C2 C3 0.4(8) . .
C6 C1 C2 C3 178.1(5) . .
C1 C2 C3 C4 0.7(8) . .
C2 C3 C4 C5 -1.6(8) . .
C1 N1 C5 C4 -0.4(6) . .
Gd1 N1 C5 C4 -179.7(3) . .
C1 N1 C5 C7 178.6(4) . .
Gd1 N1 C5 C7 -0.7(4) . .
C3 C4 C5 N1 1.4(7) . .
C3 C4 C5 C7 -177.4(4) . .
Gd2 O2 C6 O1 34.8(7) . .
Gd2 O2 C6 C1 -145.6(3) . .
Gd1 O1 C6 O2 179.3(3) . .
Gd1 O1 C6 C1 -0.4(5) . .
N1 C1 C6 O2 180.0(4) . .
C2 C1 C6 O2 2.1(7) . .
N1 C1 C6 O1 -0.3(5) . .
C2 C1 C6 O1 -178.2(4) . .
Gd2 O4 C7 O3 -96(2) 1_445 .
Gd2 O4 C7 C5 85(2) 1_445 .
Gd1 O3 C7 O4 174.7(3) . .
Gd1 O3 C7 C5 -6.0(5) . .
N1 C5 C7 O4 -176.6(4) . .
C4 C5 C7 O4 2.4(6) . .
N1 C5 C7 O3 4.1(5) . .
C4 C5 C7 O3 -176.9(4) . .
Gd1 O5 C8 O6 169.6(4) . .
Gd1 O5 C8 C9 -10.8(5) . .
Gd2 O6 C8 O5 176.8(3) 1_455 .
Gd2 O6 C8 C9 -2.9(5) 1_455 .
Gd1 O7 C9 O8 180.0(3) . .
Gd1 O7 C9 C8 0.0(5) . .
Gd2 O8 C9 O7 173.1(3) 1_455 .
Gd2 O8 C9 C8 -6.9(5) 1_455 .
O5 C8 C9 O7 7.0(6) . .
O6 C8 C9 O7 -173.4(4) . .
O5 C8 C9 O8 -173.0(4) . .
O6 C8 C9 O8 6.6(6) . .
Gd1 O10 C10 O9 175.1(3) 2_656 .
O19 O10 C10 O9 -24.5(5) . .
Gd1 O10 C10 C10 -4.5(6) 2_656 2_656
O19 O10 C10 C10 155.9(4) . 2_656
Gd1 O9 C10 O10 175.4(3) . .
O17 O9 C10 O10 -66.2(5) . .
Gd1 O9 C10 C10 -5.0(6) . 2_656
O17 O9 C10 C10 113.4(4) . 2_656
Gd2 O11 C11 O12 -171.2(3) . .
O18 O11 C11 O12 19.0(6) . .
Gd2 O11 C11 C11 9.2(6) . 2_765
O18 O11 C11 C11 -160.6(4) . 2_765
Gd2 O12 C11 O11 -170.6(4) 2_765 .
Gd2 O12 C11 C11 9.0(6) 2_765 2_765
