#------------------------------------------------------------------------------
#$Date: 2016-03-25 14:13:09 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179885 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/81/7018154.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_7018154
loop_
_publ_author_name
'Lin, Shuang-Yan'
'Zhao, Lang'
'Ke, Hongshan'
'Guo, Yun-Nan'
'Tang, Jinkui'
'Guo, Yang'
'Dou, Jianmin'
_publ_section_title
;
 Steric hindrances create a discrete linear Dy(4) complex exhibiting SMM
 behaviour.
;
_journal_issue                   11
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3248
_journal_page_last               3252
_journal_paper_doi               10.1039/c2dt11539e
_journal_volume                  41
_journal_year                    2012
_chemical_formula_sum            'C126 H112 Gd4 N4 O34'
_chemical_formula_weight         2855.20
_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                111.269(2)
_cell_angle_beta                 97.9220(10)
_cell_angle_gamma                118.3440(10)
_cell_formula_units_Z            1
_cell_length_a                   15.3896(11)
_cell_length_b                   15.6333(12)
_cell_length_c                   15.922(2)
_cell_measurement_reflns_used    5027
_cell_measurement_temperature    185(2)
_cell_measurement_theta_max      25.98
_cell_measurement_theta_min      2.64
_cell_volume                     2908.7(5)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      185(2)
_diffrn_detector_area_resol_mean 8.366
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_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  0.0412
_diffrn_reflns_av_sigmaI/netI    0.0994
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            16051
_diffrn_reflns_theta_full        26.06
_diffrn_reflns_theta_max         26.06
_diffrn_reflns_theta_min         1.54
_exptl_absorpt_coefficient_mu    2.334
_exptl_absorpt_correction_T_max  0.8174
_exptl_absorpt_correction_T_min  0.7209
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2000)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.630
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       stick
_exptl_crystal_F_000             1424
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.09
_refine_diff_density_max         0.989
_refine_diff_density_min         -0.929
_refine_diff_density_rms         0.148
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.988
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     760
_refine_ls_number_reflns         11293
_refine_ls_number_restraints     7
_refine_ls_restrained_S_all      0.989
_refine_ls_R_factor_all          0.0922
_refine_ls_R_factor_gt           0.0494
_refine_ls_shift/su_max          0.019
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0360P)²+0.0035P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0933
_refine_ls_wR_factor_ref         0.1129
_reflns_number_gt                7268
_reflns_number_total             11293
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2dt11539e.txt
_cod_data_source_block           2
_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 2.4.1 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      P-1
_cod_database_code               7018154
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 0.40805(3) 1.29812(3) 0.39318(3) 0.02776(11) Uani 1 1 d .
Gd2 Gd 0.23742(3) 0.87605(3) 0.18757(2) 0.02387(10) Uani 1 1 d .
N1 N 0.1485(4) 0.8760(5) 0.0392(4) 0.0276(13) Uani 1 1 d .
N2 N -0.0310(4) 0.5716(5) 0.1574(4) 0.0293(14) Uani 1 1 d .
O1 O 0.0697(3) 0.7182(4) 0.1046(3) 0.0274(11) Uani 1 1 d .
H1 H 0.0429 0.6962 0.1488 0.033 Uiso 1 1 calc R
O2 O -0.2199(4) 0.5118(5) 0.2025(4) 0.0506(15) Uani 1 1 d .
O3 O 0.0596(4) 0.9771(5) -0.0510(4) 0.0524(16) Uani 1 1 d .
O4 O 0.2754(4) 0.7746(4) 0.0542(3) 0.0356(12) Uani 1 1 d .
O5 O 0.3550(4) 0.8155(4) 0.2020(3) 0.0334(12) Uani 1 1 d .
O6 O 0.1789(3) 0.8027(4) 0.2970(3) 0.0305(12) Uani 1 1 d .
O7 O 0.3326(4) 0.9660(4) 0.3639(3) 0.0329(12) Uani 1 1 d .
O8 O 0.3830(4) 1.0254(4) 0.1988(4) 0.0388(13) Uani 1 1 d .
O9 O 0.4438(4) 1.2044(4) 0.2696(4) 0.0391(13) Uani 1 1 d .
O10 O 0.1764(4) 0.9846(4) 0.2530(3) 0.0394(13) Uani 1 1 d .
O11 O 0.2470(4) 1.1517(4) 0.3756(4) 0.0425(14) Uani 1 1 d .
O12 O 0.2862(4) 1.2537(5) 0.2452(3) 0.0394(13) Uani 1 1 d .
O13 O 0.4454(4) 1.4102(4) 0.3069(4) 0.0383(13) Uani 1 1 d .
O14 O 0.3533(4) 1.4131(5) 0.4538(4) 0.0509(15) Uani 1 1 d .
O15 O 0.5935(4) 1.4120(5) 0.4631(4) 0.0459(14) Uani 1 1 d .
O16 O 0.4428(5) 1.3618(5) 0.5708(4) 0.0528(15) Uani 1 1 d .
H16A H 0.4918 1.4399 0.6134 0.063 Uiso 1 1 calc R
O17 O 0.4511(4) 1.1878(4) 0.4438(3) 0.0381(13) Uani 1 1 d .
H17A H 0.3927 1.1141 0.4230 0.046 Uiso 1 1 calc R
C1 C -0.0010(5) 0.6487(6) 0.0179(5) 0.0253(16) Uani 1 1 d .
C2 C -0.0816(5) 0.5398(5) -0.0052(5) 0.0227(15) Uani 1 1 d .
C3 C -0.1602(5) 0.4612(6) -0.1029(5) 0.0341(18) Uani 1 1 d .
H3 H -0.2137 0.3876 -0.1182 0.041 Uiso 1 1 calc R
C4 C -0.1590(6) 0.4913(7) -0.1744(5) 0.0368(19) Uani 1 1 d .
C5 C -0.0797(5) 0.5997(6) -0.1495(5) 0.0303(17) Uani 1 1 d .
H5 H -0.0797 0.6210 -0.1983 0.036 Uiso 1 1 calc R
C6 C -0.0006(5) 0.6784(6) -0.0574(5) 0.0265(16) Uani 1 1 d .
C7 C -0.0929(5) 0.5066(6) 0.0674(5) 0.0284(16) Uani 1 1 d .
H7 H -0.1493 0.4324 0.0479 0.034 Uiso 1 1 calc R
C8 C -0.0501(6) 0.5362(7) 0.2299(5) 0.042(2) Uani 1 1 d .
H8A H 0.0188 0.5763 0.2837 0.050 Uiso 1 1 calc R
H8B H -0.0807 0.4554 0.1997 0.050 Uiso 1 1 calc R
C9 C -0.1233(6) 0.5573(7) 0.2703(5) 0.0375(19) Uani 1 1 d .
C10 C -0.2223(7) 0.5890(8) 0.3498(7) 0.057(3) Uani 1 1 d D
H10 H -0.2446 0.6135 0.4009 0.068 Uiso 1 1 calc R
C11 C -0.2789(7) 0.5328(9) 0.2549(7) 0.063(3) Uani 1 1 d .
H11 H -0.3499 0.5101 0.2268 0.075 Uiso 1 1 calc R
C12 C -0.1243(7) 0.6049(7) 0.3597(6) 0.048(2) Uani 1 1 d DU
H12 H -0.0668 0.6431 0.4197 0.058 Uiso 1 1 calc R
C13 C -0.2451(6) 0.4069(7) -0.2755(5) 0.052(2) Uani 1 1 d .
H13A H -0.2121 0.4048 -0.3240 0.078 Uiso 1 1 calc R
H13B H -0.2940 0.4285 -0.2869 0.078 Uiso 1 1 calc R
H13C H -0.2847 0.3330 -0.2809 0.078 Uiso 1 1 calc R
C14 C 0.0695(5) 0.7911(6) -0.0396(5) 0.0289(17) Uani 1 1 d .
H14 H 0.0555 0.8039 -0.0924 0.035 Uiso 1 1 calc R
C15 C 0.2039(5) 0.9863(6) 0.0433(5) 0.0327(17) Uani 1 1 d .
H15A H 0.2073 1.0405 0.1027 0.039 Uiso 1 1 calc R
H15B H 0.2782 1.0112 0.0503 0.039 Uiso 1 1 calc R
C16 C 0.1561(6) 0.9907(6) -0.0407(5) 0.0327(18) Uani 1 1 d .
C17 C 0.1008(6) 0.9980(7) -0.1731(6) 0.045(2) Uani 1 1 d .
H17 H 0.0978 1.0041 -0.2305 0.054 Uiso 1 1 calc R
C18 C 0.0304(8) 0.9837(9) -0.1315(6) 0.061(3) Uani 1 1 d .
H18 H -0.0330 0.9786 -0.1551 0.073 Uiso 1 1 calc R
C19 C 0.1823(6) 1.0024(7) -0.1135(6) 0.044(2) Uani 1 1 d .
H19 H 0.2448 1.0120 -0.1241 0.053 Uiso 1 1 calc R
C20 C 0.3475(5) 0.7867(6) 0.1142(5) 0.0300(17) Uani 1 1 d .
C21 C 0.4278(5) 0.7676(6) 0.0840(5) 0.0327(17) Uani 1 1 d .
C22 C 0.4318(6) 0.7518(7) -0.0057(6) 0.041(2) Uani 1 1 d .
H22 H 0.3815 0.7493 -0.0501 0.049 Uiso 1 1 calc R
C23 C 0.5093(7) 0.7394(8) -0.0313(6) 0.053(2) Uani 1 1 d .
H23 H 0.5118 0.7283 -0.0935 0.064 Uiso 1 1 calc R
C24 C 0.5830(6) 0.7431(7) 0.0332(7) 0.052(2) Uani 1 1 d .
H24 H 0.6361 0.7348 0.0155 0.063 Uiso 1 1 calc R
C25 C 0.5790(6) 0.7588(8) 0.1226(7) 0.054(2) Uani 1 1 d .
H25 H 0.6295 0.7610 0.1666 0.065 Uiso 1 1 calc R
C26 C 0.5030(6) 0.7714(7) 0.1497(6) 0.048(2) Uani 1 1 d .
H26 H 0.5011 0.7825 0.2119 0.057 Uiso 1 1 calc R
C27 C 0.2600(6) 0.8862(6) 0.3701(5) 0.0274(16) Uani 1 1 d .
C28 C 0.2708(6) 0.8941(6) 0.4676(5) 0.0288(16) Uani 1 1 d .
C29 C 0.1847(7) 0.8245(8) 0.4810(6) 0.053(2) Uani 1 1 d .
H29 H 0.1170 0.7735 0.4289 0.064 Uiso 1 1 calc R
C30 C 0.1956(7) 0.8281(8) 0.5704(6) 0.063(3) Uani 1 1 d .
H30 H 0.1355 0.7791 0.5791 0.076 Uiso 1 1 calc R
C31 C 0.2921(8) 0.9016(8) 0.6455(6) 0.057(3) Uani 1 1 d .
H31 H 0.2988 0.9040 0.7066 0.068 Uiso 1 1 calc R
C32 C 0.3784(7) 0.9713(8) 0.6341(6) 0.058(3) Uani 1 1 d .
H32 H 0.4457 1.0222 0.6866 0.069 Uiso 1 1 calc R
C33 C 0.3677(6) 0.9678(7) 0.5448(5) 0.048(2) Uani 1 1 d .
H33 H 0.4283 1.0172 0.5368 0.058 Uiso 1 1 calc R
C34 C 0.1743(5) 1.0512(6) 0.3221(5) 0.0257(16) Uani 1 1 d .
C35 C 0.0743(5) 1.0087(6) 0.3437(5) 0.0295(17) Uani 1 1 d .
C36 C -0.0047(6) 0.8961(7) 0.2957(6) 0.049(2) Uani 1 1 d .
H36 H 0.0056 0.8457 0.2505 0.059 Uiso 1 1 calc R
C37 C -0.0984(7) 0.8550(10) 0.3117(8) 0.077(4) Uani 1 1 d .
H37 H -0.1509 0.7768 0.2793 0.093 Uiso 1 1 calc R
C38 C -0.1155(8) 0.9259(13) 0.3736(9) 0.085(5) Uani 1 1 d .
H38 H -0.1810 0.8981 0.3832 0.102 Uiso 1 1 calc R
C39 C -0.0383(8) 1.0375(11) 0.4221(7) 0.067(3) Uani 1 1 d .
H39 H -0.0503 1.0871 0.4661 0.081 Uiso 1 1 calc R
C40 C 0.0579(6) 1.0805(8) 0.4085(6) 0.046(2) Uani 1 1 d .
H40 H 0.1115 1.1584 0.4436 0.055 Uiso 1 1 calc R
C41 C 0.4506(5) 1.1255(6) 0.2262(5) 0.0272(16) Uani 1 1 d .
C42 C 0.5502(5) 1.1529(6) 0.2033(5) 0.0254(16) Uani 1 1 d .
C43 C 0.5499(6) 1.0683(7) 0.1333(5) 0.0316(17) Uani 1 1 d .
H43 H 0.4881 0.9939 0.0997 0.038 Uiso 1 1 calc R
C44 C 0.6415(7) 1.0939(8) 0.1126(6) 0.049(2) Uani 1 1 d .
H44 H 0.6422 1.0375 0.0633 0.059 Uiso 1 1 calc R
C45 C 0.7311(7) 1.2020(9) 0.1644(7) 0.055(3) Uani 1 1 d .
H45 H 0.7942 1.2192 0.1518 0.066 Uiso 1 1 calc R
C46 C 0.7309(6) 1.2865(8) 0.2349(6) 0.044(2) Uani 1 1 d .
H46 H 0.7932 1.3606 0.2702 0.053 Uiso 1 1 calc R
C47 C 0.6391(5) 1.2614(6) 0.2530(5) 0.0318(17) Uani 1 1 d .
H47 H 0.6372 1.3187 0.2995 0.038 Uiso 1 1 calc R
C48 C 0.3366(5) 1.4869(7) 0.4800(5) 0.0275(16) Uani 1 1 d .
C49 C 0.2234(5) 1.4515(6) 0.4429(5) 0.0260(16) Uani 1 1 d .
C50 C 0.1431(5) 1.3410(7) 0.3750(5) 0.0369(19) Uani 1 1 d .
H50 H 0.1610 1.2886 0.3523 0.044 Uiso 1 1 calc R
C51 C 0.0390(6) 1.3055(8) 0.3400(6) 0.053(2) Uani 1 1 d .
H51 H -0.0155 1.2297 0.2937 0.064 Uiso 1 1 calc R
C52 C 0.0159(7) 1.3846(10) 0.3746(7) 0.058(3) Uani 1 1 d .
H52 H -0.0559 1.3620 0.3519 0.070 Uiso 1 1 calc R
C53 C 0.0942(7) 1.4943(9) 0.4407(6) 0.050(2) Uani 1 1 d .
H53 H 0.0765 1.5470 0.4618 0.060 Uiso 1 1 calc R
C54 C 0.1994(6) 1.5289(7) 0.4771(5) 0.0365(19) Uani 1 1 d .
H54 H 0.2536 1.6043 0.5246 0.044 Uiso 1 1 calc R
C55 C 0.3507(6) 1.3376(7) 0.2408(6) 0.0386(19) Uani 1 1 d .
C56 C 0.3203(6) 1.3544(7) 0.1586(5) 0.039(2) Uani 1 1 d .
C57 C 0.2205(6) 1.2736(7) 0.0843(5) 0.044(2) Uani 1 1 d .
H57 H 0.1723 1.2094 0.0875 0.053 Uiso 1 1 calc R
C58 C 0.1908(8) 1.2859(9) 0.0054(6) 0.058(3) Uani 1 1 d .
H58 H 0.1224 1.2306 -0.0454 0.070 Uiso 1 1 calc R
C59 C 0.2618(10) 1.3795(10) 0.0016(7) 0.071(3) Uani 1 1 d .
H59 H 0.2418 1.3879 -0.0525 0.085 Uiso 1 1 calc R
C60 C 0.3594(9) 1.4596(9) 0.0735(7) 0.067(3) Uani 1 1 d .
H60 H 0.4072 1.5239 0.0702 0.080 Uiso 1 1 calc R
C61 C 0.3887(8) 1.4468(8) 0.1516(7) 0.060(3) Uani 1 1 d .
H61 H 0.4574 1.5027 0.2017 0.072 Uiso 1 1 calc R
C62 C 0.4001(7) 1.2987(8) 0.6152(6) 0.060(3) Uani 1 1 d .
H62A H 0.3485 1.2202 0.5654 0.090 Uiso 1 1 calc R
H62B H 0.3642 1.3254 0.6525 0.090 Uiso 1 1 calc R
H62C H 0.4574 1.3058 0.6592 0.090 Uiso 1 1 calc R
C63 C 0.5499(6) 1.2189(8) 0.4990(7) 0.069(3) Uani 1 1 d .
H63A H 0.5811 1.1918 0.4556 0.103 Uiso 1 1 calc R
H63B H 0.5407 1.1864 0.5421 0.103 Uiso 1 1 calc R
H63C H 0.5973 1.3004 0.5382 0.103 Uiso 1 1 calc 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'
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
O14 Gd1 O9 149.61(19) . .
O14 Gd1 O15 105.8(2) . .
O9 Gd1 O15 80.93(19) . .
O14 Gd1 O11 88.0(2) . .
O9 Gd1 O11 100.96(18) . .
O15 Gd1 O11 149.53(18) . .
O14 Gd1 O12 78.25(18) . .
O9 Gd1 O12 75.31(17) . .
O15 Gd1 O12 130.43(18) . .
O11 Gd1 O12 78.40(18) . .
O14 Gd1 O17 136.03(18) . .
O9 Gd1 O17 74.21(17) . .
O15 Gd1 O17 77.33(17) . .
O11 Gd1 O17 74.07(17) . .
O12 Gd1 O17 133.60(17) . .
O14 Gd1 O13 73.92(18) . .
O9 Gd1 O13 78.28(17) . .
O15 Gd1 O13 80.10(17) . .
O11 Gd1 O13 130.27(17) . .
O12 Gd1 O13 52.95(16) . .
O17 Gd1 O13 146.66(16) . .
O14 Gd1 O16 68.90(18) . .
O9 Gd1 O16 140.71(18) . .
O15 Gd1 O16 77.94(19) . .
O11 Gd1 O16 82.20(18) . .
O12 Gd1 O16 142.20(18) . .
O17 Gd1 O16 69.07(17) . .
O13 Gd1 O16 129.07(17) . .
O14 Gd1 C55 74.8(2) . .
O9 Gd1 C55 74.88(19) . .
O15 Gd1 C55 105.8(2) . .
O11 Gd1 C55 104.0(2) . .
O12 Gd1 C55 25.96(19) . .
O17 Gd1 C55 147.96(19) . .
O13 Gd1 C55 27.00(19) . .
O16 Gd1 C55 143.0(2) . .
O8 Gd2 O1 152.30(16) . .
O8 Gd2 O10 90.11(18) . .
O1 Gd2 O10 92.35(18) . .
O8 Gd2 O5 83.36(17) . .
O1 Gd2 O5 105.96(16) . .
O10 Gd2 O5 152.07(17) . .
O8 Gd2 O7 84.07(17) . .
O1 Gd2 O7 123.33(15) . .
O10 Gd2 O7 77.03(16) . .
O5 Gd2 O7 75.30(16) . .
O8 Gd2 O6 137.11(16) . .
O1 Gd2 O6 70.54(15) . .
O10 Gd2 O6 83.50(16) . .
O5 Gd2 O6 83.02(15) . .
O7 Gd2 O6 53.13(15) . .
O8 Gd2 O4 81.72(17) . .
O1 Gd2 O4 83.45(15) . .
O10 Gd2 O4 152.44(16) . .
O5 Gd2 O4 53.16(15) . .
O7 Gd2 O4 127.64(15) . .
O6 Gd2 O4 120.01(16) . .
O8 Gd2 N1 82.16(17) . .
O1 Gd2 N1 71.48(17) . .
O10 Gd2 N1 77.63(17) . .
O5 Gd2 N1 127.81(16) . .
O7 Gd2 N1 151.02(17) . .
O6 Gd2 N1 136.50(16) . .
O4 Gd2 N1 75.22(16) . .
O8 Gd2 C20 77.83(19) . .
O1 Gd2 C20 98.46(18) . .
O10 Gd2 C20 167.94(19) . .
O5 Gd2 C20 27.12(16) . .
O7 Gd2 C20 101.13(19) . .
O6 Gd2 C20 105.09(18) . .
O4 Gd2 C20 26.55(16) . .
N1 Gd2 C20 100.70(19) . .
O8 Gd2 C27 110.8(2) . .
O1 Gd2 C27 96.74(19) . .
O10 Gd2 C27 79.03(18) . .
O5 Gd2 C27 78.04(17) . .
O7 Gd2 C27 26.76(17) . .
O6 Gd2 C27 26.37(18) . .
O4 Gd2 C27 128.47(17) . .
N1 Gd2 C27 153.26(18) . .
C20 Gd2 C27 104.8(2) . .
C14 N1 C15 118.0(6) . .
C14 N1 Gd2 127.4(5) . .
C15 N1 Gd2 114.3(4) . .
C7 N2 C8 121.4(6) . .
C1 O1 Gd2 141.0(4) . .
C1 O1 H1 109.5 . .
Gd2 O1 H1 109.5 . .
C9 O2 C11 105.9(6) . .
C18 O3 C16 106.2(6) . .
C20 O4 Gd2 90.9(4) . .
C20 O5 Gd2 92.6(4) . .
C27 O6 Gd2 92.8(4) . .
C27 O7 Gd2 92.4(4) . .
C41 O8 Gd2 157.8(5) . .
C41 O9 Gd1 149.4(5) . .
C34 O10 Gd2 152.1(5) . .
C34 O11 Gd1 144.1(5) . .
C55 O12 Gd1 95.5(4) . .
C55 O13 Gd1 90.9(5) . .
C48 O14 Gd1 167.9(5) . .
C48 O15 Gd1 136.3(5) 2_686 .
C62 O16 Gd1 128.9(5) . .
C62 O16 H16A 115.6 . .
Gd1 O16 H16A 115.6 . .
C63 O17 Gd1 128.5(5) . .
C63 O17 H17A 115.7 . .
Gd1 O17 H17A 115.7 . .
O1 C1 C2 119.7(6) . .
O1 C1 C6 121.8(6) . .
C2 C1 C6 118.5(6) . .
C1 C2 C7 121.9(6) . .
C1 C2 C3 119.8(6) . .
C7 C2 C3 118.2(6) . .
C4 C3 C2 121.0(7) . .
C4 C3 H3 119.5 . .
C2 C3 H3 119.5 . .
C3 C4 C5 118.1(7) . .
C3 C4 C13 119.3(7) . .
C5 C4 C13 122.6(7) . .
C6 C5 C4 123.6(7) . .
C6 C5 H5 118.2 . .
C4 C5 H5 118.2 . .
C5 C6 C1 119.0(7) . .
C5 C6 C14 117.1(6) . .
C1 C6 C14 123.3(6) . .
N2 C7 C2 123.4(7) . .
N2 C7 H7 118.3 . .
C2 C7 H7 118.3 . .
N2 C8 C9 112.9(6) . .
N2 C8 H8A 109.0 . .
C9 C8 H8A 109.0 . .
N2 C8 H8B 109.0 . .
C9 C8 H8B 109.0 . .
H8A C8 H8B 107.8 . .
C12 C9 O2 108.1(7) . .
C12 C9 C8 136.8(7) . .
O2 C9 C8 115.0(7) . .
C11 C10 C12 106.4(8) . .
C11 C10 H10 126.8 . .
C12 C10 H10 126.8 . .
C10 C11 O2 110.5(8) . .
C10 C11 H11 124.8 . .
O2 C11 H11 124.8 . .
C9 C12 C10 109.1(8) . .
C9 C12 H12 125.4 . .
C10 C12 H12 125.4 . .
C4 C13 H13A 109.5 . .
C4 C13 H13B 109.5 . .
H13A C13 H13B 109.5 . .
C4 C13 H13C 109.5 . .
H13A C13 H13C 109.5 . .
H13B C13 H13C 109.5 . .
N1 C14 C6 127.5(6) . .
N1 C14 H14 116.3 . .
C6 C14 H14 116.3 . .
C16 C15 N1 116.5(6) . .
C16 C15 H15A 108.2 . .
N1 C15 H15A 108.2 . .
C16 C15 H15B 108.2 . .
N1 C15 H15B 108.2 . .
H15A C15 H15B 107.3 . .
C19 C16 O3 108.8(7) . .
C19 C16 C15 135.4(7) . .
O3 C16 C15 115.8(6) . .
C18 C17 C19 105.2(7) . .
C18 C17 H17 127.4 . .
C19 C17 H17 127.4 . .
C17 C18 O3 111.6(7) . .
C17 C18 H18 124.2 . .
O3 C18 H18 124.2 . .
C16 C19 C17 108.3(7) . .
C16 C19 H19 125.9 . .
C17 C19 H19 125.9 . .
O4 C20 O5 121.1(6) . .
O4 C20 C21 120.5(6) . .
O5 C20 C21 118.5(6) . .
O4 C20 Gd2 62.6(4) . .
O5 C20 Gd2 60.3(3) . .
C21 C20 Gd2 166.1(5) . .
C22 C21 C26 119.6(7) . .
C22 C21 C20 120.3(6) . .
C26 C21 C20 120.1(7) . .
C21 C22 C23 120.0(7) . .
C21 C22 H22 120.0 . .
C23 C22 H22 120.0 . .
C24 C23 C22 120.3(8) . .
C24 C23 H23 119.9 . .
C22 C23 H23 119.9 . .
C25 C24 C23 119.8(7) . .
C25 C24 H24 120.1 . .
C23 C24 H24 120.1 . .
C24 C25 C26 121.0(7) . .
C24 C25 H25 119.5 . .
C26 C25 H25 119.5 . .
C25 C26 C21 119.4(7) . .
C25 C26 H26 120.3 . .
C21 C26 H26 120.3 . .
O6 C27 O7 121.7(6) . .
O6 C27 C28 119.5(6) . .
O7 C27 C28 118.8(6) . .
O6 C27 Gd2 60.9(3) . .
O7 C27 Gd2 60.8(3) . .
C28 C27 Gd2 178.1(5) . .
C29 C28 C33 118.4(7) . .
C29 C28 C27 120.2(6) . .
C33 C28 C27 121.4(7) . .
C28 C29 C30 120.3(8) . .
C28 C29 H29 119.9 . .
C30 C29 H29 119.9 . .
C31 C30 C29 120.2(8) . .
C31 C30 H30 119.9 . .
C29 C30 H30 119.9 . .
C32 C31 C30 120.6(8) . .
C32 C31 H31 119.7 . .
C30 C31 H31 119.7 . .
C31 C32 C33 119.3(8) . .
C31 C32 H32 120.4 . .
C33 C32 H32 120.4 . .
C28 C33 C32 121.2(8) . .
C28 C33 H33 119.4 . .
C32 C33 H33 119.4 . .
O10 C34 O11 125.8(7) . .
O10 C34 C35 117.7(6) . .
O11 C34 C35 116.5(7) . .
C40 C35 C36 118.6(7) . .
C40 C35 C34 121.4(7) . .
C36 C35 C34 120.0(7) . .
C37 C36 C35 121.4(9) . .
C37 C36 H36 119.3 . .
C35 C36 H36 119.3 . .
C38 C37 C36 120.0(11) . .
C38 C37 H37 120.0 . .
C36 C37 H37 120.0 . .
C37 C38 C39 119.6(10) . .
C37 C38 H38 120.2 . .
C39 C38 H38 120.2 . .
C38 C39 C40 121.3(10) . .
C38 C39 H39 119.3 . .
C40 C39 H39 119.3 . .
C35 C40 C39 119.2(9) . .
C35 C40 H40 120.4 . .
C39 C40 H40 120.4 . .
O9 C41 O8 126.1(7) . .
O9 C41 C42 117.1(6) . .
O8 C41 C42 116.8(7) . .
C47 C42 C43 121.3(7) . .
C47 C42 C41 119.3(7) . .
C43 C42 C41 119.4(6) . .
C42 C43 C44 119.1(8) . .
C42 C43 H43 120.4 . .
C44 C43 H43 120.4 . .
C45 C44 C43 119.2(8) . .
C45 C44 H44 120.4 . .
C43 C44 H44 120.4 . .
C44 C45 C46 121.3(7) . .
C44 C45 H45 119.3 . .
C46 C45 H45 119.3 . .
C47 C46 C45 119.2(8) . .
C47 C46 H46 120.4 . .
C45 C46 H46 120.4 . .
C46 C47 C42 119.8(8) . .
C46 C47 H47 120.1 . .
C42 C47 H47 120.1 . .
O14 C48 O15 124.7(7) . 2_686
O14 C48 C49 117.6(7) . .
O15 C48 C49 117.7(7) 2_686 .
C54 C49 C50 120.2(7) . .
C54 C49 C48 119.7(7) . .
C50 C49 C48 120.1(7) . .
C51 C50 C49 121.7(8) . .
C51 C50 H50 119.1 . .
C49 C50 H50 119.1 . .
C50 C51 C52 117.5(8) . .
C50 C51 H51 121.2 . .
C52 C51 H51 121.2 . .
C53 C52 C51 121.6(8) . .
C53 C52 H52 119.2 . .
C51 C52 H52 119.2 . .
C52 C53 C54 120.3(9) . .
C52 C53 H53 119.8 . .
C54 C53 H53 119.8 . .
C49 C54 C53 118.6(8) . .
C49 C54 H54 120.7 . .
C53 C54 H54 120.7 . .
O12 C55 O13 120.6(7) . .
O12 C55 C56 120.6(7) . .
O13 C55 C56 118.8(8) . .
O12 C55 Gd1 58.5(4) . .
O13 C55 Gd1 62.1(4) . .
C56 C55 Gd1 177.9(5) . .
C61 C56 C57 118.2(8) . .
C61 C56 C55 122.5(8) . .
C57 C56 C55 119.2(8) . .
C56 C57 C58 120.5(9) . .
C56 C57 H57 119.7 . .
C58 C57 H57 119.7 . .
C59 C58 C57 119.1(9) . .
C59 C58 H58 120.4 . .
C57 C58 H58 120.4 . .
C60 C59 C58 121.3(10) . .
C60 C59 H59 119.3 . .
C58 C59 H59 119.3 . .
C59 C60 C61 119.3(10) . .
C59 C60 H60 120.3 . .
C61 C60 H60 120.3 . .
C60 C61 C56 121.5(9) . .
C60 C61 H61 119.3 . .
C56 C61 H61 119.3 . .
O16 C62 H62A 109.5 . .
O16 C62 H62B 109.5 . .
H62A C62 H62B 109.5 . .
O16 C62 H62C 109.5 . .
H62A C62 H62C 109.5 . .
H62B C62 H62C 109.5 . .
O17 C63 H63A 109.5 . .
O17 C63 H63B 109.5 . .
H63A C63 H63B 109.5 . .
O17 C63 H63C 109.5 . .
H63A C63 H63C 109.5 . .
H63B C63 H63C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Gd1 O14 2.297(5) .
Gd1 O9 2.301(5) .
Gd1 O15 2.327(5) .
Gd1 O11 2.327(5) .
Gd1 O12 2.431(5) .
Gd1 O17 2.451(5) .
Gd1 O13 2.509(5) .
Gd1 O16 2.512(5) .
Gd1 C55 2.838(8) .
Gd2 O8 2.263(5) .
Gd2 O1 2.268(4) .
Gd2 O10 2.312(5) .
Gd2 O5 2.428(4) .
Gd2 O7 2.460(4) .
Gd2 O6 2.462(4) .
Gd2 O4 2.479(5) .
Gd2 N1 2.560(5) .
Gd2 C20 2.792(7) .
Gd2 C27 2.815(7) .
N1 C14 1.286(8) .
N1 C15 1.487(8) .
N2 C7 1.282(8) .
N2 C8 1.458(8) .
O1 C1 1.283(7) .
O1 H1 0.9500 .
O2 C9 1.370(8) .
O2 C11 1.386(9) .
O3 C18 1.355(8) .
O3 C16 1.373(8) .
O4 C20 1.248(8) .
O5 C20 1.274(7) .
O6 C27 1.252(8) .
O7 C27 1.268(8) .
O8 C41 1.247(8) .
O9 C41 1.238(8) .
O10 C34 1.227(8) .
O11 C34 1.243(8) .
O12 C55 1.248(9) .
O13 C55 1.288(9) .
O14 C48 1.239(8) .
O15 C48 1.247(9) 2_686
O16 C62 1.387(9) .
O16 H16A 0.9500 .
O17 C63 1.393(8) .
O17 H17A 0.9500 .
C1 C2 1.410(9) .
C1 C6 1.433(8) .
C2 C7 1.428(9) .
C2 C3 1.441(9) .
C3 C4 1.380(9) .
C3 H3 0.9500 .
C4 C5 1.391(10) .
C4 C13 1.516(10) .
C5 C6 1.388(9) .
C5 H5 0.9500 .
C6 C14 1.449(9) .
C7 H7 0.9500 .
C8 C9 1.480(10) .
C8 H8A 0.9900 .
C8 H8B 0.9900 .
C9 C12 1.351(10) .
C10 C11 1.327(11) .
C10 C12 1.382(10) .
C10 H10 0.9500 .
C11 H11 0.9500 .
C12 H12 0.9500 .
C13 H13A 0.9800 .
C13 H13B 0.9800 .
C13 H13C 0.9800 .
C14 H14 0.9500 .
C15 C16 1.476(9) .
C15 H15A 0.9900 .
C15 H15B 0.9900 .
C16 C19 1.324(9) .
C17 C18 1.319(10) .
C17 C19 1.421(10) .
C17 H17 0.9500 .
C18 H18 0.9500 .
C19 H19 0.9500 .
C20 C21 1.502(9) .
C21 C22 1.374(9) .
C21 C26 1.412(9) .
C22 C23 1.386(10) .
C22 H22 0.9500 .
C23 C24 1.385(11) .
C23 H23 0.9500 .
C24 C25 1.370(10) .
C24 H24 0.9500 .
C25 C26 1.374(10) .
C25 H25 0.9500 .
C26 H26 0.9500 .
C27 C28 1.491(9) .
C28 C29 1.364(10) .
C28 C33 1.378(10) .
C29 C30 1.387(10) .
C29 H29 0.9500 .
C30 C31 1.360(11) .
C30 H30 0.9500 .
C31 C32 1.349(11) .
C31 H31 0.9500 .
C32 C33 1.386(10) .
C32 H32 0.9500 .
C33 H33 0.9500 .
C34 C35 1.506(9) .
C35 C40 1.374(10) .
C35 C36 1.378(10) .
C36 C37 1.377(11) .
C36 H36 0.9500 .
C37 C38 1.351(15) .
C37 H37 0.9500 .
C38 C39 1.361(15) .
C38 H38 0.9500 .
C39 C40 1.392(11) .
C39 H39 0.9500 .
C40 H40 0.9500 .
C41 C42 1.520(9) .
C42 C47 1.379(9) .
C42 C43 1.384(9) .
C43 C44 1.394(9) .
C43 H43 0.9500 .
C44 C45 1.379(12) .
C44 H44 0.9500 .
C45 C46 1.390(12) .
C45 H45 0.9500 .
C46 C47 1.378(9) .
C46 H46 0.9500 .
C47 H47 0.9500 .
C48 O15 1.247(9) 2_686
C48 C49 1.501(9) .
C49 C54 1.377(9) .
C49 C50 1.389(10) .
C50 C51 1.368(10) .
C50 H50 0.9500 .
C51 C52 1.392(12) .
C51 H51 0.9500 .
C52 C53 1.371(13) .
C52 H52 0.9500 .
C53 C54 1.390(10) .
C53 H53 0.9500 .
C54 H54 0.9500 .
C55 C56 1.484(10) .
C56 C61 1.383(11) .
C56 C57 1.388(10) .
C57 C58 1.388(11) .
C57 H57 0.9500 .
C58 C59 1.379(13) .
C58 H58 0.9500 .
C59 C60 1.355(13) .
C59 H59 0.9500 .
C60 C61 1.378(11) .
C60 H60 0.9500 .
C61 H61 0.9500 .
C62 H62A 0.9800 .
C62 H62B 0.9800 .
C62 H62C 0.9800 .
C63 H63A 0.9800 .
C63 H63B 0.9800 .
C63 H63C 0.9800 .
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
O8 Gd2 N1 C14 148.9(6) . .
O1 Gd2 N1 C14 -22.5(5) . .
O10 Gd2 N1 C14 -119.3(6) . .
O5 Gd2 N1 C14 73.6(6) . .
O7 Gd2 N1 C14 -148.8(5) . .
O6 Gd2 N1 C14 -52.8(6) . .
O4 Gd2 N1 C14 65.4(5) . .
C20 Gd2 N1 C14 72.9(6) . .
C27 Gd2 N1 C14 -89.6(7) . .
O8 Gd2 N1 C15 -24.2(4) . .
O1 Gd2 N1 C15 164.4(5) . .
O10 Gd2 N1 C15 67.6(4) . .
O5 Gd2 N1 C15 -99.5(5) . .
O7 Gd2 N1 C15 38.1(6) . .
O6 Gd2 N1 C15 134.1(4) . .
O4 Gd2 N1 C15 -107.7(5) . .
C20 Gd2 N1 C15 -100.2(4) . .
C27 Gd2 N1 C15 97.3(6) . .
O8 Gd2 O1 C1 12.0(9) . .
O10 Gd2 O1 C1 106.7(7) . .
O5 Gd2 O1 C1 -94.7(7) . .
O7 Gd2 O1 C1 -177.3(6) . .
O6 Gd2 O1 C1 -171.1(7) . .
O4 Gd2 O1 C1 -46.0(7) . .
N1 Gd2 O1 C1 30.6(6) . .
C20 Gd2 O1 C1 -68.0(7) . .
C27 Gd2 O1 C1 -174.1(7) . .
O8 Gd2 O4 C20 79.3(4) . .
O1 Gd2 O4 C20 -124.1(4) . .
O10 Gd2 O4 C20 153.4(4) . .
O5 Gd2 O4 C20 -8.6(4) . .
O7 Gd2 O4 C20 3.5(5) . .
O6 Gd2 O4 C20 -61.1(4) . .
N1 Gd2 O4 C20 163.3(4) . .
C27 Gd2 O4 C20 -30.7(5) . .
O8 Gd2 O5 C20 -76.2(4) . .
O1 Gd2 O5 C20 77.1(4) . .
O10 Gd2 O5 C20 -153.8(4) . .
O7 Gd2 O5 C20 -161.8(4) . .
O6 Gd2 O5 C20 144.5(4) . .
O4 Gd2 O5 C20 8.4(4) . .
N1 Gd2 O5 C20 -1.6(5) . .
C27 Gd2 O5 C20 170.8(4) . .
O8 Gd2 O6 C27 4.7(5) . .
O1 Gd2 O6 C27 -173.2(4) . .
O10 Gd2 O6 C27 -78.4(4) . .
O5 Gd2 O6 C27 77.1(4) . .
O7 Gd2 O6 C27 0.3(4) . .
O4 Gd2 O6 C27 116.9(4) . .
N1 Gd2 O6 C27 -142.7(4) . .
C20 Gd2 O6 C27 93.0(4) . .
O8 Gd2 O7 C27 -177.2(4) . .
O1 Gd2 O7 C27 7.1(4) . .
O10 Gd2 O7 C27 91.3(4) . .
O5 Gd2 O7 C27 -92.5(4) . .
O6 Gd2 O7 C27 -0.3(4) . .
O4 Gd2 O7 C27 -102.4(4) . .
N1 Gd2 O7 C27 120.9(4) . .
C20 Gd2 O7 C27 -100.9(4) . .
O1 Gd2 O8 C41 111.6(12) . .
O10 Gd2 O8 C41 16.3(12) . .
O5 Gd2 O8 C41 -136.5(12) . .
O7 Gd2 O8 C41 -60.6(12) . .
O6 Gd2 O8 C41 -64.2(13) . .
O4 Gd2 O8 C41 169.9(12) . .
N1 Gd2 O8 C41 93.8(12) . .
C20 Gd2 O8 C41 -163.4(12) . .
C27 Gd2 O8 C41 -62.0(12) . .
O14 Gd1 O9 C41 -153.3(8) . .
O15 Gd1 O9 C41 101.0(9) . .
O11 Gd1 O9 C41 -48.1(9) . .
O12 Gd1 O9 C41 -122.9(9) . .
O17 Gd1 O9 C41 21.7(9) . .
O13 Gd1 O9 C41 -177.3(9) . .
O16 Gd1 O9 C41 42.9(10) . .
C55 Gd1 O9 C41 -149.8(9) . .
O8 Gd2 O10 C34 -83.4(11) . .
O1 Gd2 O10 C34 124.2(11) . .
O5 Gd2 O10 C34 -7.5(13) . .
O7 Gd2 O10 C34 0.5(10) . .
O6 Gd2 O10 C34 54.1(11) . .
O4 Gd2 O10 C34 -155.5(9) . .
N1 Gd2 O10 C34 -165.4(11) . .
C20 Gd2 O10 C34 -82.1(14) . .
C27 Gd2 O10 C34 27.8(11) . .
O14 Gd1 O11 C34 141.2(8) . .
O9 Gd1 O11 C34 -9.5(8) . .
O15 Gd1 O11 C34 -100.3(8) . .
O12 Gd1 O11 C34 62.8(8) . .
O17 Gd1 O11 C34 -79.5(8) . .
O13 Gd1 O11 C34 74.3(9) . .
O16 Gd1 O11 C34 -149.8(8) . .
C55 Gd1 O11 C34 67.4(8) . .
O14 Gd1 O12 C55 79.3(4) . .
O9 Gd1 O12 C55 -85.5(4) . .
O15 Gd1 O12 C55 -21.5(5) . .
O11 Gd1 O12 C55 169.7(5) . .
O17 Gd1 O12 C55 -135.9(4) . .
O13 Gd1 O12 C55 0.7(4) . .
O16 Gd1 O12 C55 109.1(5) . .
O14 Gd1 O13 C55 -87.9(4) . .
O9 Gd1 O13 C55 79.6(4) . .
O15 Gd1 O13 C55 162.3(4) . .
O11 Gd1 O13 C55 -14.9(5) . .
O12 Gd1 O13 C55 -0.7(4) . .
O17 Gd1 O13 C55 114.4(4) . .
O16 Gd1 O13 C55 -132.2(4) . .
O9 Gd1 O14 C48 -45(3) . .
O15 Gd1 O14 C48 54(2) . .
O11 Gd1 O14 C48 -154(2) . .
O12 Gd1 O14 C48 -75(2) . .
O17 Gd1 O14 C48 142(2) . .
O13 Gd1 O14 C48 -21(2) . .
O16 Gd1 O14 C48 124(2) . .
C55 Gd1 O14 C48 -49(2) . .
O14 Gd1 O15 C48 -1.3(7) . 2_686
O9 Gd1 O15 C48 148.3(7) . 2_686
O11 Gd1 O15 C48 -115.4(7) . 2_686
O12 Gd1 O15 C48 86.6(7) . 2_686
O17 Gd1 O15 C48 -135.9(7) . 2_686
O13 Gd1 O15 C48 68.8(7) . 2_686
O16 Gd1 O15 C48 -65.0(7) . 2_686
C55 Gd1 O15 C48 77.0(7) . 2_686
O14 Gd1 O16 C62 116.7(7) . .
O9 Gd1 O16 C62 -72.0(7) . .
O15 Gd1 O16 C62 -130.9(7) . .
O11 Gd1 O16 C62 25.8(7) . .
O12 Gd1 O16 C62 85.3(7) . .
O17 Gd1 O16 C62 -50.0(6) . .
O13 Gd1 O16 C62 162.6(6) . .
C55 Gd1 O16 C62 128.7(7) . .
O14 Gd1 O17 C63 -92.3(7) . .
O9 Gd1 O17 C63 91.4(7) . .
O15 Gd1 O17 C63 7.4(7) . .
O11 Gd1 O17 C63 -162.0(7) . .
O12 Gd1 O17 C63 142.1(6) . .
O13 Gd1 O17 C63 55.9(8) . .
O16 Gd1 O17 C63 -74.4(7) . .
C55 Gd1 O17 C63 107.1(7) . .
Gd2 O1 C1 C2 157.4(5) . .
Gd2 O1 C1 C6 -22.4(10) . .
O1 C1 C2 C7 5.6(10) . .
C6 C1 C2 C7 -174.6(6) . .
O1 C1 C2 C3 -179.2(6) . .
C6 C1 C2 C3 0.6(9) . .
C1 C2 C3 C4 -0.9(10) . .
C7 C2 C3 C4 174.4(6) . .
C2 C3 C4 C5 0.0(11) . .
C2 C3 C4 C13 -178.4(7) . .
C3 C4 C5 C6 1.4(11) . .
C13 C4 C5 C6 179.6(7) . .
C4 C5 C6 C1 -1.7(11) . .
C4 C5 C6 C14 -173.5(7) . .
O1 C1 C6 C5 -179.5(6) . .
C2 C1 C6 C5 0.7(10) . .
O1 C1 C6 C14 -8.2(10) . .
C2 C1 C6 C14 171.9(6) . .
C8 N2 C7 C2 175.8(6) . .
C1 C2 C7 N2 -1.0(10) . .
C3 C2 C7 N2 -176.2(6) . .
C7 N2 C8 C9 -87.1(9) . .
C11 O2 C9 C12 -0.8(9) . .
C11 O2 C9 C8 175.1(7) . .
N2 C8 C9 C12 -130.7(10) . .
N2 C8 C9 O2 54.9(9) . .
C12 C10 C11 O2 -0.1(11) . .
C9 O2 C11 C10 0.6(10) . .
O2 C9 C12 C10 0.8(10) . .
C8 C9 C12 C10 -173.9(9) . .
C11 C10 C12 C9 -0.4(11) . .
C15 N1 C14 C6 -175.0(6) . .
Gd2 N1 C14 C6 12.1(10) . .
C5 C6 C14 N1 -178.8(6) . .
C1 C6 C14 N1 9.8(11) . .
C14 N1 C15 C16 6.0(9) . .
Gd2 N1 C15 C16 179.8(5) . .
C18 O3 C16 C19 -1.4(9) . .
C18 O3 C16 C15 -179.9(7) . .
N1 C15 C16 C19 -109.3(10) . .
N1 C15 C16 O3 68.7(9) . .
C19 C17 C18 O3 -0.8(11) . .
C16 O3 C18 C17 1.4(11) . .
O3 C16 C19 C17 0.9(10) . .
C15 C16 C19 C17 179.0(9) . .
C18 C17 C19 C16 -0.1(11) . .
Gd2 O4 C20 O5 15.4(7) . .
Gd2 O4 C20 C21 -164.5(6) . .
Gd2 O5 C20 O4 -15.7(7) . .
Gd2 O5 C20 C21 164.2(6) . .
O8 Gd2 C20 O4 -95.8(4) . .
O1 Gd2 C20 O4 56.2(4) . .
O10 Gd2 C20 O4 -97.2(9) . .
O5 Gd2 C20 O4 164.9(6) . .
O7 Gd2 C20 O4 -177.2(4) . .
O6 Gd2 C20 O4 128.3(4) . .
N1 Gd2 C20 O4 -16.4(4) . .
C27 Gd2 C20 O4 155.6(4) . .
O8 Gd2 C20 O5 99.3(4) . .
O1 Gd2 C20 O5 -108.6(4) . .
O10 Gd2 C20 O5 97.9(9) . .
O7 Gd2 C20 O5 17.9(4) . .
O6 Gd2 C20 O5 -36.6(4) . .
O4 Gd2 C20 O5 -164.9(6) . .
N1 Gd2 C20 O5 178.8(4) . .
C27 Gd2 C20 O5 -9.3(4) . .
O8 Gd2 C20 C21 11(2) . .
O1 Gd2 C20 C21 163(2) . .
O10 Gd2 C20 C21 9(3) . .
O5 Gd2 C20 C21 -89(2) . .
O7 Gd2 C20 C21 -71(2) . .
O6 Gd2 C20 C21 -125(2) . .
O4 Gd2 C20 C21 106(2) . .
N1 Gd2 C20 C21 90(2) . .
C27 Gd2 C20 C21 -98(2) . .
O4 C20 C21 C22 9.0(11) . .
O5 C20 C21 C22 -170.9(7) . .
Gd2 C20 C21 C22 -90(2) . .
O4 C20 C21 C26 -174.1(7) . .
O5 C20 C21 C26 6.0(11) . .
Gd2 C20 C21 C26 87(2) . .
C26 C21 C22 C23 0.1(12) . .
C20 C21 C22 C23 177.0(8) . .
C21 C22 C23 C24 -0.1(13) . .
C22 C23 C24 C25 0.2(14) . .
C23 C24 C25 C26 -0.2(14) . .
C24 C25 C26 C21 0.2(14) . .
C22 C21 C26 C25 -0.2(13) . .
C20 C21 C26 C25 -177.1(8) . .
Gd2 O6 C27 O7 -0.5(7) . .
Gd2 O6 C27 C28 177.9(5) . .
Gd2 O7 C27 O6 0.5(7) . .
Gd2 O7 C27 C28 -177.9(5) . .
O8 Gd2 C27 O6 -176.5(4) . .
O1 Gd2 C27 O6 6.5(4) . .
O10 Gd2 C27 O6 97.6(4) . .
O5 Gd2 C27 O6 -98.5(4) . .
O7 Gd2 C27 O6 -179.5(7) . .
O4 Gd2 C27 O6 -80.5(4) . .
N1 Gd2 C27 O6 68.0(6) . .
C20 Gd2 C27 O6 -94.2(4) . .
O8 Gd2 C27 O7 3.0(4) . .
O1 Gd2 C27 O7 -174.0(4) . .
O10 Gd2 C27 O7 -82.9(4) . .
O5 Gd2 C27 O7 81.0(4) . .
O6 Gd2 C27 O7 179.5(7) . .
O4 Gd2 C27 O7 99.0(4) . .
N1 Gd2 C27 O7 -112.5(5) . .
C20 Gd2 C27 O7 85.4(4) . .
O8 Gd2 C27 C28 82(17) . .
O1 Gd2 C27 C28 -95(17) . .
O10 Gd2 C27 C28 -4(17) . .
O5 Gd2 C27 C28 160(17) . .
O7 Gd2 C27 C28 79(17) . .
O6 Gd2 C27 C28 -101(17) . .
O4 Gd2 C27 C28 178(100) . .
N1 Gd2 C27 C28 -33(17) . .
C20 Gd2 C27 C28 165(17) . .
O6 C27 C28 C29 -14.1(10) . .
O7 C27 C28 C29 164.3(7) . .
Gd2 C27 C28 C29 86(17) . .
O6 C27 C28 C33 163.4(7) . .
O7 C27 C28 C33 -18.2(10) . .
Gd2 C27 C28 C33 -96(17) . .
C33 C28 C29 C30 -0.5(13) . .
C27 C28 C29 C30 177.0(8) . .
C28 C29 C30 C31 0.5(15) . .
C29 C30 C31 C32 -0.5(16) . .
C30 C31 C32 C33 0.4(15) . .
C29 C28 C33 C32 0.5(12) . .
C27 C28 C33 C32 -177.0(7) . .
C31 C32 C33 C28 -0.5(14) . .
Gd2 O10 C34 O11 71.1(14) . .
Gd2 O10 C34 C35 -110.2(10) . .
Gd1 O11 C34 O10 11.6(13) . .
Gd1 O11 C34 C35 -167.1(5) . .
O10 C34 C35 C40 -168.9(7) . .
O11 C34 C35 C40 10.0(10) . .
O10 C34 C35 C36 8.9(10) . .
O11 C34 C35 C36 -172.2(6) . .
C40 C35 C36 C37 -0.2(11) . .
C34 C35 C36 C37 -178.1(7) . .
C35 C36 C37 C38 1.9(13) . .
C36 C37 C38 C39 -2.1(15) . .
C37 C38 C39 C40 0.7(15) . .
C36 C35 C40 C39 -1.2(11) . .
C34 C35 C40 C39 176.6(6) . .
C38 C39 C40 C35 1.0(12) . .
Gd1 O9 C41 O8 47.8(13) . .
Gd1 O9 C41 C42 -132.7(7) . .
Gd2 O8 C41 O9 -12.6(17) . .
Gd2 O8 C41 C42 167.9(9) . .
O9 C41 C42 C47 17.9(9) . .
O8 C41 C42 C47 -162.5(6) . .
O9 C41 C42 C43 -162.3(6) . .
O8 C41 C42 C43 17.3(9) . .
C47 C42 C43 C44 -0.2(10) . .
C41 C42 C43 C44 -180.0(6) . .
C42 C43 C44 C45 2.0(11) . .
C43 C44 C45 C46 -1.9(12) . .
C44 C45 C46 C47 -0.1(12) . .
C45 C46 C47 C42 1.9(11) . .
C43 C42 C47 C46 -1.8(10) . .
C41 C42 C47 C46 178.0(6) . .
Gd1 O14 C48 O15 -59(3) . 2_686
Gd1 O14 C48 C49 123(2) . .
O14 C48 C49 C54 173.9(6) . .
O15 C48 C49 C54 -4.3(10) 2_686 .
O14 C48 C49 C50 -5.5(10) . .
O15 C48 C49 C50 176.3(7) 2_686 .
C54 C49 C50 C51 0.2(11) . .
C48 C49 C50 C51 179.6(6) . .
C49 C50 C51 C52 0.2(11) . .
C50 C51 C52 C53 0.6(12) . .
C51 C52 C53 C54 -1.8(13) . .
C50 C49 C54 C53 -1.4(10) . .
C48 C49 C54 C53 179.3(6) . .
C52 C53 C54 C49 2.1(11) . .
Gd1 O12 C55 O13 -1.3(7) . .
Gd1 O12 C55 C56 177.8(6) . .
Gd1 O13 C55 O12 1.3(7) . .
Gd1 O13 C55 C56 -177.9(6) . .
O14 Gd1 C55 O12 -94.4(4) . .
O9 Gd1 C55 O12 87.4(4) . .
O15 Gd1 C55 O12 163.2(4) . .
O11 Gd1 C55 O12 -10.4(5) . .
O17 Gd1 C55 O12 71.8(6) . .
O13 Gd1 C55 O12 -178.7(7) . .
O16 Gd1 C55 O12 -106.0(5) . .
O14 Gd1 C55 O13 84.3(4) . .
O9 Gd1 C55 O13 -93.8(4) . .
O15 Gd1 C55 O13 -18.1(4) . .
O11 Gd1 C55 O13 168.4(4) . .
O12 Gd1 C55 O13 178.7(7) . .
O17 Gd1 C55 O13 -109.4(5) . .
O16 Gd1 C55 O13 72.8(5) . .
O14 Gd1 C55 C56 -158(17) . .
O9 Gd1 C55 C56 23(17) . .
O15 Gd1 C55 C56 99(17) . .
O11 Gd1 C55 C56 -74(17) . .
O12 Gd1 C55 C56 -64(17) . .
O17 Gd1 C55 C56 8(17) . .
O13 Gd1 C55 C56 117(17) . .
O16 Gd1 C55 C56 -170(16) . .
O12 C55 C56 C61 179.1(7) . .
O13 C55 C56 C61 -1.8(11) . .
Gd1 C55 C56 C61 -118(16) . .
O12 C55 C56 C57 -2.7(11) . .
O13 C55 C56 C57 176.5(6) . .
Gd1 C55 C56 C57 60(17) . .
C61 C56 C57 C58 -0.2(11) . .
C55 C56 C57 C58 -178.5(7) . .
C56 C57 C58 C59 0.2(12) . .
C57 C58 C59 C60 -0.4(14) . .
C58 C59 C60 C61 0.6(15) . .
C59 C60 C61 C56 -0.6(14) . .
C57 C56 C61 C60 0.4(13) . .
C55 C56 C61 C60 178.7(8) . .
