#------------------------------------------------------------------------------
#$Date: 2016-03-21 19:06:25 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178835 $
#$URL: svn://www.crystallography.net/cod/cif/4/10/89/4108902.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_4108902
loop_
_publ_author_name
'Hua Yang'
'Chunxin Lu'
'Ziyang Liu'
'Hongxiao Jin'
'Yuliang Che'
'Marilyn M. Olmstead'
'Alan L. Balch'
_publ_section_title
;
 Detection of a Family of Gadolinium-Containing Endohedral Fullerenes and
 the Isolation and Crystallographic Characterization of One Member as a
 Metal-Carbide Encapsulated inside a Large Fullerene Cage
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              17296
_journal_page_last               17300
_journal_paper_doi               10.1021/ja8078303
_journal_volume                  130
_journal_year                    2008
_chemical_formula_moiety         'Gd2 C94, Ni N4 C38 H44, 2(C6 H6)'
_chemical_formula_sum            'C142 H56 Gd2 N4 Ni'
_chemical_formula_weight         2191.12
_chemical_name_common            Gd2(C2)@C92.NiOEP.2benzene
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_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                 97.222(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   24.2381(14)
_cell_length_b                   17.6005(10)
_cell_length_c                   19.7867(12)
_cell_measurement_reflns_used    9131
_cell_measurement_temperature    90(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      2.7
_cell_volume                     8374.1(8)
_computing_cell_refinement       'SAINT (Bruker, 2007)'
_computing_data_collection       'Apex2 (Bruker, 2007)'
_computing_data_reduction        'SAINT (Bruker, 2007)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      90(2)
_diffrn_detector_area_resol_mean 8.3
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Bruker SMART ApexII'
_diffrn_measurement_method       ω
_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  0.0493
_diffrn_reflns_av_sigmaI/netI    0.0434
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            48440
_diffrn_reflns_theta_full        28.19
_diffrn_reflns_theta_max         28.19
_diffrn_reflns_theta_min         2.79
_exptl_absorpt_coefficient_mu    1.859
_exptl_absorpt_correction_T_max  0.929
_exptl_absorpt_correction_T_min  0.554
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2008)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.738
_exptl_crystal_description       parallelepiped
_exptl_crystal_F_000             4368
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.679
_refine_diff_density_min         -0.907
_refine_diff_density_rms         0.166
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     667
_refine_ls_number_reflns         10532
_refine_ls_number_restraints     360
_refine_ls_restrained_S_all      1.039
_refine_ls_R_factor_all          0.1589
_refine_ls_R_factor_gt           0.1150
_refine_ls_shift/su_max          0.021
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1875P)²+99.9126P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3151
_refine_ls_wR_factor_ref         0.3576
_reflns_number_gt                6945
_reflns_number_total             10532
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            ja8078303_si_001.cif
_cod_data_source_block           mn1874
_cod_original_sg_symbol_H-M      'C 2/m'
_cod_database_code               4108902
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x, -y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, 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
_atom_site_disorder_assembly
_atom_site_disorder_group
Gd1 Gd 0.31090(8) 0.62839(9) 0.78012(13) 0.0483(4) Uani 0.28 1 d PU . .
Gd2 Gd 0.29524(10) 0.36335(11) 0.81652(17) 0.0576(5) Uani 0.28 1 d PU . .
Gd3 Gd 0.28220(17) 0.62014(17) 0.75780(16) 0.0545(7) Uani 0.16 1 d PU . .
Gd4 Gd 0.3117(3) 0.3690(3) 0.8480(3) 0.0701(13) Uani 0.16 1 d PU . .
Gd5 Gd 0.3309(6) 0.3756(7) 0.8258(10) 0.071(3) Uani 0.06 1 d PU . .
Gd6 Gd 0.2750(9) 0.4150(14) 0.7210(12) 0.111(6) Uiso 0.04 1 d P . .
Gd7 Gd 0.2622(15) 0.383(2) 0.8535(18) 0.094(9) Uiso 0.02 1 d P . .
C93 C 0.2698(6) 0.5000 0.7884(10) 0.105(7) Uani 1 2 d S . .
C94 C 0.2979(8) 0.5000 0.8330(6) 0.081(5) Uani 1 2 d S . .
C1 C 0.2894(6) 0.7598(16) 0.7455(9) 0.089(7) Uiso 0.50 1 d PD . -1
C2 C 0.3221(6) 0.7281(10) 0.6979(9) 0.064(4) Uiso 0.50 1 d PD . -1
C3 C 0.3776(7) 0.6964(10) 0.7206(9) 0.068(5) Uiso 0.50 1 d PD . -1
C4 C 0.4031(9) 0.7026(12) 0.7885(9) 0.072(6) Uiso 0.50 1 d PD . -1
C5 C 0.3707(7) 0.7393(12) 0.8387(8) 0.080(6) Uiso 0.50 1 d PD . -1
C6 C 0.3152(7) 0.7667(13) 0.8134(10) 0.074(5) Uiso 0.50 1 d PD . -1
C7 C 0.2817(8) 0.750(3) 0.8690(15) 0.16(2) Uiso 0.50 1 d PD . -1
C8 C 0.2242(7) 0.7353(10) 0.8615(7) 0.058(4) Uiso 0.50 1 d PD . -1
C9 C 0.1976(7) 0.7294(12) 0.7893(8) 0.078(5) Uiso 0.50 1 d PD . -1
C10 C 0.2318(8) 0.7430(11) 0.7353(9) 0.060(5) Uiso 0.50 1 d PD . -1
C11 C 0.2084(7) 0.6941(10) 0.6781(9) 0.063(4) Uiso 0.50 1 d PD . -1
C12 C 0.2365(9) 0.6591(15) 0.6286(16) 0.114(14) Uiso 0.50 1 d PD . -1
C13 C 0.2965(7) 0.6787(10) 0.6440(10) 0.072(5) Uiso 0.50 1 d PD . -1
C14 C 0.3327(6) 0.6202(8) 0.6307(8) 0.050(3) Uiso 0.50 1 d PD . -1
C15 C 0.3814(7) 0.6296(8) 0.6783(8) 0.062(4) Uiso 0.50 1 d PD . -1
C16 C 0.4125(7) 0.5629(7) 0.7051(8) 0.057(4) Uiso 0.50 1 d PD . -1
C17 C 0.4461(6) 0.5790(7) 0.7701(6) 0.044(3) Uiso 0.50 1 d PD . -1
C18 C 0.4370(7) 0.6452(8) 0.8101(7) 0.059(4) Uiso 0.50 1 d PD . -1
C19 C 0.4450(6) 0.6166(8) 0.8809(8) 0.054(4) Uiso 0.50 1 d PD . -1
C20 C 0.4087(7) 0.6440(9) 0.9248(8) 0.064(4) Uiso 0.50 1 d PD . -1
C21 C 0.3737(7) 0.7044(11) 0.9029(10) 0.068(5) Uiso 0.50 1 d PD . -1
C22 C 0.3194(7) 0.7141(11) 0.9225(10) 0.073(5) Uiso 0.50 1 d PD . -1
C23 C 0.2977(6) 0.6581(10) 0.9662(10) 0.072(5) Uiso 0.50 1 d PD . -1
C24 C 0.2369(6) 0.6556(10) 0.9624(10) 0.067(5) Uiso 0.50 1 d PD . -1
C25 C 0.2027(8) 0.6910(11) 0.9061(9) 0.071(5) Uiso 0.50 1 d PD . -1
C26 C 0.1555(7) 0.6396(10) 0.8854(7) 0.055(4) Uiso 0.50 1 d PD . -1
C27 C 0.1349(9) 0.6234(9) 0.8183(8) 0.076(5) Uiso 0.50 1 d PD . -1
C28 C 0.1574(10) 0.6726(12) 0.7738(9) 0.068(7) Uiso 0.50 1 d PD . -1
C29 C 0.1629(8) 0.6542(10) 0.7049(9) 0.079(5) Uiso 0.50 1 d PD . -1
C30 C 0.1475(9) 0.5776(9) 0.6830(8) 0.077(5) Uiso 0.50 1 d PD . -1
C31 C 0.1770(6) 0.5530(7) 0.6273(8) 0.050(3) Uiso 0.50 1 d PD . -1
C32 C 0.2228(6) 0.5913(8) 0.6019(8) 0.053(4) Uiso 0.50 1 d PD . -1
C33 C 0.2622(6) 0.5331(8) 0.5838(10) 0.068(5) Uiso 0.50 1 d PD . -1
C34 C 0.3184(5) 0.5478(7) 0.6053(8) 0.050(3) Uiso 0.50 1 d PD . -1
C35 C 0.3538(5) 0.4844(7) 0.6268(7) 0.063(4) Uiso 0.50 1 d PD . -1
C36 C 0.4015(4) 0.4865(6) 0.6848(5) 0.032(2) Uiso 0.50 1 d PD . -1
C37 C 0.4198(6) 0.4223(8) 0.7257(7) 0.047(3) Uiso 0.50 1 d PD . -1
C38 C 0.4516(7) 0.4398(7) 0.7959(6) 0.053(4) Uiso 0.50 1 d PD . -1
C39 C 0.4640(4) 0.5161(5) 0.8086(5) 0.035(3) Uiso 0.50 1 d PD . -1
C40 C 0.4660(6) 0.5413(7) 0.8802(6) 0.051(3) Uiso 0.50 1 d PD . -1
C41 C 0.4541(5) 0.4988(10) 0.9320(6) 0.068(3) Uiso 1 2 d SD . -1
C42 C 0.4128(6) 0.5184(7) 0.9782(7) 0.055(4) Uiso 0.50 1 d PD . -1
C43 C 0.3896(7) 0.5913(8) 0.9730(10) 0.074(5) Uiso 0.50 1 d PD . -1
C44 C 0.3299(6) 0.5946(9) 0.9922(10) 0.071(5) Uiso 0.50 1 d PD . -1
C45 C 0.3051(6) 0.5249(7) 1.0113(9) 0.066(5) Uiso 0.50 1 d PD . -1
C46 C 0.2412(5) 0.5189(6) 1.0038(7) 0.048(3) Uiso 0.50 1 d PD . -1
C47 C 0.2159(6) 0.5873(8) 0.9819(10) 0.070(5) Uiso 0.50 1 d PD . -1
C48 C 0.1620(6) 0.5845(8) 0.9381(7) 0.048(3) Uiso 0.50 1 d PD . -1
C49 C 0.1394(5) 0.5170(6) 0.9198(5) 0.045(3) Uiso 0.50 1 d PD . -1
C50 C 0.1180(5) 0.4919(8) 0.8497(5) 0.051(3) Uiso 0.50 1 d PD . -1
C51 C 0.1197(8) 0.5465(8) 0.7986(7) 0.067(5) Uiso 0.50 1 d PD . -1
C52 C 0.1301(6) 0.5210(6) 0.7267(6) 0.050(4) Uiso 0.50 1 d PD . -1
C53 C 0.1367(8) 0.4409(8) 0.7174(8) 0.068(5) Uiso 0.50 1 d PD . -1
C54 C 0.1682(8) 0.4159(8) 0.6578(8) 0.069(5) Uiso 0.50 1 d PD . -1
C55 C 0.1848(7) 0.4756(7) 0.6183(10) 0.076(6) Uiso 0.50 1 d PD . -1
C56 C 0.2366(6) 0.4610(8) 0.5875(8) 0.055(4) Uiso 0.50 1 d PD . -1
C57 C 0.2685(5) 0.3993(8) 0.6010(8) 0.052(3) Uiso 0.50 1 d PD . -1
C58 C 0.3287(5) 0.4138(8) 0.6193(7) 0.041(3) Uiso 0.50 1 d PD . -1
C59 C 0.3450(6) 0.3506(9) 0.6586(8) 0.060(4) Uiso 0.50 1 d PD . -1
C60 C 0.3911(7) 0.3528(9) 0.7131(8) 0.068(5) Uiso 0.50 1 d PD . -1
C61 C 0.3918(9) 0.3016(11) 0.7705(8) 0.069(6) Uiso 0.50 1 d PD . -1
C62 C 0.4161(7) 0.3178(9) 0.8386(8) 0.061(4) Uiso 0.50 1 d PD . -1
C63 C 0.4465(5) 0.3849(6) 0.8491(6) 0.038(3) Uiso 0.50 1 d PD . -1
C64 C 0.4508(6) 0.4217(8) 0.9118(6) 0.045(3) Uiso 0.50 1 d PD . -1
C65 C 0.4135(8) 0.3922(10) 0.9596(10) 0.077(5) Uiso 0.50 1 d PD . -1
C66 C 0.3907(6) 0.4511(8) 0.9986(9) 0.068(5) Uiso 0.50 1 d PD . -1
C67 C 0.3331(6) 0.4541(8) 1.0122(10) 0.066(5) Uiso 0.50 1 d PD . -1
C68 C 0.3032(7) 0.3827(10) 1.0077(11) 0.084(6) Uiso 0.50 1 d PD . -1
C69 C 0.2446(7) 0.3785(10) 0.9879(11) 0.077(6) Uiso 0.50 1 d PD . -1
C70 C 0.2149(6) 0.4463(8) 0.9894(9) 0.059(4) Uiso 0.50 1 d PD . -1
C71 C 0.1629(6) 0.4495(8) 0.9501(8) 0.055(4) Uiso 0.50 1 d PD . -1
C72 C 0.1511(8) 0.3884(10) 0.8989(8) 0.070(5) Uiso 0.50 1 d PD . -1
C73 C 0.1259(7) 0.4167(8) 0.8338(6) 0.052(3) Uiso 0.50 1 d PD . -1
C74 C 0.1366(8) 0.3848(9) 0.7686(7) 0.073(5) Uiso 0.50 1 d PD . -1
C75 C 0.1659(8) 0.3123(11) 0.7687(8) 0.057(5) Uiso 0.50 1 d PD . -1
C76 C 0.2013(9) 0.2937(13) 0.7187(10) 0.091(7) Uiso 0.50 1 d PD . -1
C77 C 0.1981(6) 0.3449(9) 0.6641(9) 0.063(4) Uiso 0.50 1 d PD . -1
C78 C 0.2484(7) 0.3363(10) 0.6360(10) 0.058(5) Uiso 0.50 1 d PD . -1
C79 C 0.3000(6) 0.3001(11) 0.6693(10) 0.067(5) Uiso 0.50 1 d PD . -1
C80 C 0.2993(7) 0.2563(13) 0.7247(9) 0.074(5) Uiso 0.50 1 d PD . -1
C81 C 0.3445(7) 0.2530(11) 0.7771(8) 0.067(5) Uiso 0.50 1 d PD . -1
C82 C 0.3399(9) 0.2400(16) 0.8499(9) 0.110(9) Uiso 0.50 1 d PD . -1
C83 C 0.3843(9) 0.2859(12) 0.8855(9) 0.072(6) Uiso 0.50 1 d PD . -1
C84 C 0.3835(8) 0.3287(12) 0.9506(11) 0.091(7) Uiso 0.50 1 d PD . -1
C85 C 0.3315(7) 0.3234(11) 0.9747(10) 0.079(6) Uiso 0.50 1 d PD . -1
C86 C 0.2866(7) 0.2793(13) 0.9357(10) 0.089(6) Uiso 0.50 1 d PD . -1
C87 C 0.2344(7) 0.3146(10) 0.9459(9) 0.064(5) Uiso 0.50 1 d PD . -1
C88 C 0.1822(10) 0.3258(13) 0.8979(10) 0.096(8) Uiso 0.50 1 d PD . -1
C89 C 0.1882(8) 0.2878(12) 0.8368(8) 0.079(5) Uiso 0.50 1 d PD . -1
C90 C 0.2383(7) 0.2446(13) 0.8241(9) 0.083(6) Uiso 0.50 1 d PD . -1
C91 C 0.2446(8) 0.2489(14) 0.7521(9) 0.077(7) Uiso 0.50 1 d PD . -1
C92 C 0.2867(6) 0.2433(14) 0.8718(8) 0.059(6) Uiso 0.50 1 d PD . -1
Ni1 Ni 0.47698(3) 0.5000 0.57977(5) 0.0207(3) Uani 1 2 d S . .
N2 N 0.5351(2) 0.5000 0.6589(3) 0.0234(12) Uani 1 2 d S . .
N3 N 0.47588(16) 0.3887(3) 0.5807(2) 0.0225(8) Uani 1 1 d . . .
N4 N 0.4176(2) 0.5000 0.5029(3) 0.0232(12) Uani 1 2 d S . .
C95 C 0.6317(2) 0.4075(4) 0.7983(3) 0.0326(12) Uani 1 1 d . . .
H95A H 0.6622 0.4356 0.8254 0.039 Uiso 1 1 calc R . .
H95B H 0.6486 0.3677 0.7721 0.039 Uiso 1 1 calc R . .
C96 C 0.5995(2) 0.4612(3) 0.7496(3) 0.0271(11) Uani 1 1 d . . .
C97 C 0.55977(19) 0.4381(3) 0.6924(3) 0.0244(10) Uani 1 1 d . . .
C98 C 0.5475(2) 0.3635(3) 0.6765(3) 0.0256(10) Uani 1 1 d . . .
H98 H 0.5678 0.3254 0.7030 0.031 Uiso 1 1 calc R . .
C99 C 0.5076(2) 0.3401(3) 0.6241(3) 0.0249(10) Uani 1 1 d . . .
C100 C 0.4942(2) 0.2615(3) 0.6093(3) 0.0275(11) Uani 1 1 d . . .
C101 C 0.4535(2) 0.2624(3) 0.5559(3) 0.0264(11) Uani 1 1 d . . .
C102 C 0.4424(2) 0.3406(3) 0.5386(3) 0.0247(10) Uani 1 1 d . . .
C103 C 0.40292(19) 0.3637(3) 0.4858(3) 0.0245(10) Uani 1 1 d . . .
H103 H 0.3829 0.3256 0.4590 0.029 Uiso 1 1 calc R . .
C104 C 0.3910(2) 0.4383(3) 0.4699(3) 0.0243(10) Uani 1 1 d . . .
C105 C 0.34785(19) 0.4612(3) 0.4166(3) 0.0242(10) Uani 1 1 d . . .
C106 C 0.3096(2) 0.4085(3) 0.3741(3) 0.0286(11) Uani 1 1 d . . .
H10A H 0.3307 0.3633 0.3624 0.034 Uiso 1 1 calc R . .
H10B H 0.2950 0.4343 0.3311 0.034 Uiso 1 1 calc R . .
C107 C 0.2607(2) 0.3828(4) 0.4108(3) 0.0400(15) Uani 1 1 d . . .
H10C H 0.2744 0.3496 0.4490 0.060 Uiso 1 1 calc R . .
H10D H 0.2338 0.3550 0.3788 0.060 Uiso 1 1 calc R . .
H10E H 0.2426 0.4274 0.4279 0.060 Uiso 1 1 calc R . .
C108 C 0.4234(2) 0.1955(3) 0.5196(3) 0.0312(12) Uani 1 1 d . . .
H10F H 0.4473 0.1498 0.5266 0.037 Uiso 1 1 calc R . .
H10G H 0.4171 0.2061 0.4701 0.037 Uiso 1 1 calc R . .
C109 C 0.3673(3) 0.1789(5) 0.5449(4) 0.0477(17) Uani 1 1 d . . .
H10H H 0.3510 0.1331 0.5225 0.071 Uiso 1 1 calc R . .
H10I H 0.3422 0.2220 0.5341 0.071 Uiso 1 1 calc R . .
H10J H 0.3730 0.1710 0.5943 0.071 Uiso 1 1 calc R . .
C110 C 0.5202(2) 0.1948(4) 0.6484(3) 0.0351(13) Uani 1 1 d . . .
H11A H 0.5604 0.2049 0.6605 0.042 Uiso 1 1 calc R . .
H11B H 0.5163 0.1494 0.6187 0.042 Uiso 1 1 calc R . .
C111 C 0.4948(3) 0.1776(4) 0.7133(4) 0.0471(17) Uani 1 1 d . . .
H11C H 0.5007 0.2210 0.7444 0.071 Uiso 1 1 calc R . .
H11D H 0.5126 0.1324 0.7352 0.071 Uiso 1 1 calc R . .
H11E H 0.4549 0.1683 0.7020 0.071 Uiso 1 1 calc R . .
C112 C 0.5956(3) 0.3695(4) 0.8466(3) 0.0399(14) Uani 1 1 d . . .
H11F H 0.6188 0.3368 0.8787 0.060 Uiso 1 1 calc R . .
H11G H 0.5668 0.3387 0.8202 0.060 Uiso 1 1 calc R . .
H11H H 0.5780 0.4085 0.8720 0.060 Uiso 1 1 calc R . .
C113 C 0.4389(9) 0.0000 0.5847(11) 0.050(5) Uiso 0.50 2 d SP . .
H11I H 0.4146 0.0000 0.6188 0.060 Uiso 0.50 2 calc SPR . .
C114 C 0.4138(11) 0.0000 0.5185(12) 0.058(5) Uiso 0.50 2 d SP . .
H11J H 0.3745 0.0000 0.5068 0.069 Uiso 0.50 2 calc SPR . .
C115 C 0.4489(8) 0.0000 0.4724(10) 0.037(4) Uiso 0.50 2 d SP . .
H11K H 0.4378 0.0000 0.4247 0.044 Uiso 0.50 2 calc SPR . .
C116 C 0.5000 0.0000 0.5000 0.082(6) Uiso 1 4 d S . .
H11L H 0.5234 0.0000 0.4649 0.098 Uiso 0.50 2 calc SPR . .
C117 C 0.4908(11) 0.0000 0.6063(15) 0.066(6) Uiso 0.50 2 d SP . .
H11M H 0.5035 0.0000 0.6537 0.079 Uiso 0.50 2 calc SPR . .
C118 C 0.5298(12) 0.0000 0.5564(14) 0.063(6) Uiso 0.50 2 d SP . .
H11N H 0.5693 0.0000 0.5647 0.076 Uiso 0.50 2 calc SPR . .
C119 C 0.4715(7) 0.2188(10) 1.0384(8) 0.051(7) Uiso 0.25 1 d PG A -1
H119 H 0.4433 0.2565 1.0360 0.061 Uiso 0.25 1 d PG A -1
C120 C 0.4867(7) 0.1796(10) 1.0989(7) 0.036(5) Uiso 0.25 1 d PG A -1
H120 H 0.4689 0.1905 1.1378 0.044 Uiso 0.25 1 d PG A -1
C121 C 0.5281(8) 0.1245(11) 1.1023(8) 0.053(7) Uiso 0.25 1 d PG A -1
H121 H 0.5384 0.0977 1.1436 0.064 Uiso 0.25 1 d PG A -1
C122 C 0.5542(8) 0.1086(11) 1.0453(10) 0.066(9) Uiso 0.25 1 d PG A -1
H122 H 0.5825 0.0709 1.0477 0.080 Uiso 0.25 1 d PG A -1
C123 C 0.5390(8) 0.1478(12) 0.9848(8) 0.055(7) Uiso 0.25 1 d PG A -1
H123 H 0.5569 0.1369 0.9459 0.066 Uiso 0.25 1 d PG A -1
C124 C 0.4977(8) 0.2029(11) 0.9814(7) 0.047(7) Uiso 0.25 1 d PG A -1
H124 H 0.4873 0.2297 0.9401 0.056 Uiso 0.25 1 d PG A -1
C125 C 0.1539(9) 0.5267(12) 1.2671(8) 0.070(10) Uiso 0.25 1 d PG B -2
H125 H 0.1575 0.5537 1.3090 0.084 Uiso 0.25 1 d PG B -2
C126 C 0.1079(8) 0.4804(13) 1.2491(9) 0.067(10) Uiso 0.25 1 d PG B -2
H126 H 0.0801 0.4758 1.2787 0.081 Uiso 0.25 1 d PG B -2
C127 C 0.1026(7) 0.4409(11) 1.1878(10) 0.045(6) Uiso 0.25 1 d PG B -2
H127 H 0.0712 0.4092 1.1755 0.054 Uiso 0.25 1 d PG B -2
C128 C 0.1433(7) 0.4476(12) 1.1446(8) 0.046(6) Uiso 0.25 1 d PG B -2
H128 H 0.1397 0.4206 1.1027 0.055 Uiso 0.25 1 d PG B -2
C129 C 0.1893(6) 0.4939(14) 1.1626(8) 0.056(6) Uiso 0.25 1 d PG B -2
H129 H 0.2171 0.4985 1.1330 0.067 Uiso 0.25 1 d PG B -2
C130 C 0.1945(7) 0.5334(13) 1.2239(9) 0.052(7) Uiso 0.25 1 d PG B -2
H130 H 0.2260 0.5651 1.2362 0.062 Uiso 0.25 1 d PG B -2
C131 C 0.4805 0.1431 1.0612 0.104 Uiso 0.25 1 d P C -3
H131 H 0.4678 0.1326 1.1037 0.125 Uiso 0.25 1 d P D -3
C132 C 0.4902 0.0839 1.0177 0.107 Uiso 0.25 1 d P C -3
H132 H 0.4840 0.0329 1.0305 0.129 Uiso 0.25 1 d P E -3
C133 C 0.5088 0.0994 0.9556 0.106 Uiso 0.25 1 d P C -3
H133 H 0.5155 0.0590 0.9259 0.127 Uiso 0.25 1 d P F -3
C134 C 0.5178 0.1741 0.9369 0.074 Uiso 0.25 1 d P C -3
H134 H 0.5306 0.1847 0.8944 0.089 Uiso 0.25 1 d P G -3
C135 C 0.5082 0.2333 0.9804 0.051 Uiso 0.25 1 d P C -3
H135 H 0.5143 0.2844 0.9676 0.061 Uiso 0.25 1 d P H -3
C136 C 0.4895 0.2178 1.0425 0.070 Uiso 0.25 1 d P C -3
H136 H 0.4829 0.2583 1.0723 0.084 Uiso 0.25 1 d P I -3
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'
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
C81 Gd1 C80 36.1(4) 6_565 6_565
C81 Gd1 C61 36.8(4) 6_565 6_565
C80 Gd1 C61 63.4(6) 6_565 6_565
C81 Gd1 C3 42.6(5) 6_565 .
C80 Gd1 C3 52.1(6) 6_565 .
C61 Gd1 C3 24.2(5) 6_565 .
C81 Gd1 C2 40.5(5) 6_565 .
C80 Gd1 C2 20.6(5) 6_565 .
C61 Gd1 C2 53.2(6) 6_565 .
C3 Gd1 C2 35.3(4) . .
C81 Gd1 C1 34.9(6) 6_565 .
C80 Gd1 C1 13.5(5) 6_565 .
C61 Gd1 C1 68.4(6) 6_565 .
C3 Gd1 C1 62.0(5) . .
C2 Gd1 C1 33.8(3) . .
C7 Gd2 C6 37.1(5) 6_565 6_565
C7 Gd2 C92 3.3(7) 6_565 .
C6 Gd2 C92 35.1(6) 6_565 .
C7 Gd2 C94 143.7(7) 6_565 .
C6 Gd2 C94 165.9(6) 6_565 .
C92 Gd2 C94 144.5(5) . .
C7 Gd2 C81 63.8(7) 6_565 .
C6 Gd2 C81 27.0(6) 6_565 .
C92 Gd2 C81 61.5(5) . .
C94 Gd2 C81 145.0(6) . .
C7 Gd2 C82 36.8(7) 6_565 .
C6 Gd2 C82 20.9(5) 6_565 .
C92 Gd2 C82 33.6(3) . .
C94 Gd2 C82 146.0(6) . .
C81 Gd2 C82 34.8(4) . .
C93 Gd3 C80 177.3(6) . 6_565
C93 Gd3 C79 145.1(7) . 6_565
C80 Gd3 C79 33.5(4) 6_565 6_565
C93 Gd3 C91 146.4(6) . 6_565
C80 Gd3 C91 36.3(4) 6_565 6_565
C79 Gd3 C91 60.4(5) 6_565 6_565
C93 Gd3 C1 168.7(7) . .
C80 Gd3 C1 13.3(5) 6_565 .
C79 Gd3 C1 46.0(5) 6_565 .
C91 Gd3 C1 26.2(5) 6_565 .
C93 Gd3 C10 142.2(6) . .
C80 Gd3 C10 40.5(6) 6_565 .
C79 Gd3 C10 58.4(5) 6_565 .
C91 Gd3 C10 10.3(5) 6_565 .
C1 Gd3 C10 33.1(3) . .
C22 Gd4 C21 39.4(5) 6_565 6_565
C22 Gd4 C7 38.7(7) 6_565 6_565
C21 Gd4 C7 64.9(8) 6_565 6_565
C22 Gd4 C94 141.8(6) 6_565 .
C21 Gd4 C94 136.9(7) 6_565 .
C7 Gd4 C94 152.4(8) 6_565 .
C22 Gd4 C83 48.3(6) 6_565 .
C21 Gd4 C83 11.6(5) 6_565 .
C7 Gd4 C83 67.0(8) 6_565 .
C94 Gd4 C83 138.3(7) . .
C22 Gd4 C92 36.5(6) 6_565 .
C21 Gd4 C92 61.3(6) 6_565 .
C7 Gd4 C92 3.7(8) 6_565 .
C94 Gd4 C92 155.9(7) . .
C83 Gd4 C92 63.3(5) . .
C22 Gd4 C82 46.5(6) 6_565 .
C21 Gd4 C82 40.6(7) 6_565 .
C7 Gd4 C82 38.0(7) 6_565 .
C94 Gd4 C82 168.8(7) . .
C83 Gd4 C82 36.0(4) . .
C92 Gd4 C82 34.8(4) . .
C21 Gd5 C5 36.6(5) 6_565 6_565
C21 Gd5 C83 12.3(6) 6_565 .
C5 Gd5 C83 26.6(6) 6_565 .
C21 Gd5 C62 46.3(7) 6_565 .
C5 Gd5 C62 38.4(6) 6_565 .
C83 Gd5 C62 35.6(5) . .
C21 Gd5 C94 132.9(10) 6_565 .
C5 Gd5 C94 169.2(11) 6_565 .
C83 Gd5 C94 142.5(10) . .
C62 Gd5 C94 136.1(9) . .
C21 Gd5 C61 72.7(7) 6_565 .
C5 Gd5 C61 42.6(6) 6_565 .
C83 Gd5 C61 60.4(7) . .
C62 Gd5 C61 36.0(4) . .
C94 Gd5 C61 142.1(9) . .
C21 Gd5 C81 68.4(7) 6_565 .
C5 Gd5 C81 32.5(6) 6_565 .
C83 Gd5 C81 59.2(7) . .
C62 Gd5 C81 58.5(6) . .
C94 Gd5 C81 158.3(10) . .
C61 Gd5 C81 35.6(4) . .
C93 Gd6 C78 158.5(14) . .
C93 Gd6 C12 151.3(14) . 6_565
C78 Gd6 C12 7.3(7) . 6_565
Gd3 Gd6 C13 90.3(16) 6_565 6_565
C93 Gd6 C13 170.6(13) . 6_565
C78 Gd6 C13 29.9(6) . 6_565
C12 Gd6 C13 37.0(6) 6_565 6_565
C93 Gd6 C57 138.1(14) . .
Gd2 Gd6 C57 145.9(12) . .
C78 Gd6 C57 35.9(5) . .
C12 Gd6 C57 35.4(7) 6_565 .
C13 Gd6 C57 42.4(6) 6_565 .
C93 Gd6 C79 162.6(14) . .
C78 Gd6 C79 37.5(5) . .
C12 Gd6 C79 44.7(7) 6_565 .
C13 Gd6 C79 15.1(5) 6_565 .
C57 Gd6 C79 57.3(7) . .
C93 Gd6 C77 125.7(12) . .
C78 Gd6 C77 35.4(5) . .
C12 Gd6 C77 30.2(7) 6_565 .
C13 Gd6 C77 63.6(8) 6_565 .
C57 Gd6 C77 61.3(7) . .
C79 Gd6 C77 65.5(8) . .
C78 Gd6 C14 55.4(7) . 6_565
C12 Gd6 C14 60.3(8) 6_565 6_565
C13 Gd6 C14 33.5(5) 6_565 6_565
C57 Gd6 C14 39.1(6) . 6_565
C79 Gd6 C14 44.0(6) . 6_565
C77 Gd6 C14 90.5(9) . 6_565
C94 Gd7 C25 150.3(19) . 6_565
C94 Gd7 C8 173.7(18) . 6_565
C25 Gd7 C8 33.7(7) 6_565 6_565
C94 Gd7 C87 138.7(17) . .
C25 Gd7 C87 25.6(6) 6_565 .
C8 Gd7 C87 47.5(9) 6_565 .
C94 Gd7 C23 109.8(15) . 6_565
C25 Gd7 C23 64.9(11) 6_565 6_565
C8 Gd7 C23 76.1(12) 6_565 6_565
C87 Gd7 C23 39.5(8) . 6_565
C94 Gd7 C24 124.0(16) . 6_565
C25 Gd7 C24 35.6(6) 6_565 6_565
C8 Gd7 C24 62.0(11) 6_565 6_565
C87 Gd7 C24 14.8(5) . 6_565
C23 Gd7 C24 35.4(6) 6_565 6_565
C94 Gd7 C7 145.8(19) . 6_565
C25 Gd7 C7 60.6(12) 6_565 6_565
C8 Gd7 C7 34.7(8) 6_565 6_565
C87 Gd7 C7 58.1(11) . 6_565
C23 Gd7 C7 62.8(11) 6_565 6_565
C24 Gd7 C7 71.1(13) 6_565 6_565
C94 C93 Gd6 118.0(11) . .
C94 C93 Gd6 118.0(11) . 6_565
Gd6 C93 Gd6 95.7(17) . 6_565
C94 C93 Gd3 97.7(5) . 6_565
C94 C93 Gd3 97.7(5) . .
C94 C93 Gd7 68.9(12) . 6_565
C94 C93 Gd7 68.9(12) . .
C94 C93 Gd1 80.3(5) . .
C94 C93 Gd1 80.3(5) . 6_565
C94 C93 Gd2 72.5(3) . 6_565
C94 C93 Gd2 72.5(3) . .
C94 C93 Gd5 59.4(6) . 6_565
C93 C94 Gd4 100.1(4) . 6_565
C93 C94 Gd4 100.1(4) . .
C93 C94 Gd5 98.1(7) . 6_565
Gd7 C94 Gd5 172.4(12) . 6_565
Gd7 C94 Gd5 46.5(10) 6_565 6_565
Gd4 C94 Gd5 17.0(4) 6_565 6_565
Gd4 C94 Gd5 152.0(10) . 6_565
C93 C94 Gd5 98.1(7) . .
Gd7 C94 Gd5 46.5(10) . .
Gd7 C94 Gd5 172.4(12) 6_565 .
Gd4 C94 Gd5 152.0(10) 6_565 .
Gd4 C94 Gd5 17.0(4) . .
Gd5 C94 Gd5 138.4(11) 6_565 .
C93 C94 Gd2 83.3(3) . .
Gd7 C94 Gd2 29.4(9) . .
Gd7 C94 Gd2 155.5(13) 6_565 .
Gd4 C94 Gd2 173.3(10) 6_565 .
Gd4 C94 Gd2 16.87(12) . .
Gd5 C94 Gd2 157.2(9) 6_565 .
Gd5 C94 Gd2 21.4(4) . .
C93 C94 Gd2 83.3(3) . 6_565
Gd7 C94 Gd2 155.5(13) . 6_565
Gd7 C94 Gd2 29.4(9) 6_565 6_565
Gd4 C94 Gd2 16.87(12) 6_565 6_565
Gd4 C94 Gd2 173.3(10) . 6_565
Gd5 C94 Gd2 21.4(4) 6_565 6_565
Gd5 C94 Gd2 157.2(9) . 6_565
Gd2 C94 Gd2 164.7(6) . 6_565
C93 C94 Gd1 75.7(5) . 6_565
Gd7 C94 Gd1 48.7(9) . 6_565
Gd7 C94 Gd1 161.3(12) 6_565 6_565
Gd4 C94 Gd1 155.4(8) 6_565 6_565
Gd4 C94 Gd1 31.72(16) . 6_565
Gd5 C94 Gd1 138.6(8) 6_565 6_565
Gd5 C94 Gd1 22.6(5) . 6_565
Gd2 C94 Gd1 20.04(8) . 6_565
Gd2 C94 Gd1 146.5(6) 6_565 6_565
C93 C94 Gd1 75.7(5) . .
Gd7 C94 Gd1 161.3(12) . .
Gd7 C94 Gd1 48.7(9) 6_565 .
Gd4 C94 Gd1 31.72(16) 6_565 .
Gd4 C94 Gd1 155.4(8) . .
Gd5 C94 Gd1 22.6(5) 6_565 .
Gd5 C94 Gd1 138.6(8) . .
Gd2 C94 Gd1 146.5(6) . .
Gd2 C94 Gd1 20.04(8) 6_565 .
Gd1 C94 Gd1 126.9(6) 6_565 .
C93 C94 Gd3 58.7(4) . 6_565
Gd7 C94 Gd3 48.4(9) . 6_565
Gd7 C94 Gd3 143.7(12) 6_565 6_565
Gd4 C94 Gd3 152.4(6) 6_565 6_565
Gd4 C94 Gd3 43.70(19) . 6_565
Gd5 C94 Gd3 139.1(8) 6_565 6_565
Gd5 C94 Gd3 39.4(5) . 6_565
Gd2 C94 Gd3 27.49(12) . 6_565
Gd2 C94 Gd3 137.2(5) 6_565 6_565
Gd1 C94 Gd3 17.71(9) 6_565 6_565
Gd1 C94 Gd3 120.7(5) . 6_565
C6 C1 C10 117.5(16) . .
C6 C1 C2 116.6(15) . .
C10 C1 C2 116.5(15) . .
C6 C1 Gd1 76.3(14) . .
C10 C1 Gd1 90.8(16) . .
C2 C1 Gd1 72.4(13) . .
C6 C1 Gd3 91.2(16) . .
C10 C1 Gd3 74.1(14) . .
C2 C1 Gd3 74.2(13) . .
Gd1 C1 Gd3 18.4(2) . .
C6 C1 Gd2 64.3(14) . 6_565
C10 C1 Gd2 83.5(15) . 6_565
C2 C1 Gd2 92.0(15) . 6_565
Gd1 C1 Gd2 19.7(2) . 6_565
Gd3 C1 Gd2 27.4(3) . 6_565
C6 C1 Gd5 58.8(13) . 6_565
C10 C1 Gd5 99.8(16) . 6_565
C2 C1 Gd5 82.0(14) . 6_565
Gd1 C1 Gd5 17.5(4) . 6_565
Gd3 C1 Gd5 34.4(5) . 6_565
Gd2 C1 Gd5 16.6(3) 6_565 6_565
C6 C1 Gd4 53.9(13) . 6_565
C10 C1 Gd4 91.6(15) . 6_565
C2 C1 Gd4 94.8(14) . 6_565
Gd1 C1 Gd4 25.4(3) . 6_565
Gd3 C1 Gd4 37.3(4) . 6_565
Gd2 C1 Gd4 10.77(14) 6_565 6_565
Gd5 C1 Gd4 13.1(3) 6_565 6_565
C1 C2 C13 119.9(15) . .
C1 C2 C3 120.7(15) . .
C13 C2 C3 106.7(14) . .
C1 C2 Gd1 73.8(13) . .
C13 C2 Gd1 89.1(12) . .
C3 C2 Gd1 72.4(11) . .
C1 C2 Gd3 72.6(13) . .
C13 C2 Gd3 74.8(11) . .
C3 C2 Gd3 87.7(11) . .
Gd1 C2 Gd3 18.36(16) . .
C1 C2 Gd6 88.3(14) . 6_565
C13 C2 Gd6 56.0(12) . 6_565
C3 C2 Gd6 89.1(12) . 6_565
Gd1 C2 Gd6 33.6(5) . 6_565
Gd3 C2 Gd6 19.4(5) . 6_565
C1 C2 Gd2 59.6(13) . 6_565
C13 C2 Gd2 97.9(12) . 6_565
C3 C2 Gd2 80.6(11) . 6_565
Gd1 C2 Gd2 14.24(13) . 6_565
Gd3 C2 Gd2 23.19(19) . 6_565
Gd6 C2 Gd2 42.2(6) 6_565 6_565
C4 C3 C15 124.1(15) . .
C4 C3 C2 122.3(15) . .
C15 C3 C2 104.6(13) . .
C4 C3 Gd1 79.3(13) . .
C15 C3 Gd1 88.6(11) . .
C2 C3 Gd1 72.4(10) . .
C4 C3 Gd5 59.7(13) . 6_565
C15 C3 Gd5 97.1(12) . 6_565
C2 C3 Gd5 87.7(11) . 6_565
Gd1 C3 Gd5 19.9(4) . 6_565
C4 C3 Gd3 93.6(14) . .
C15 C3 Gd3 83.1(11) . .
C2 C3 Gd3 61.2(10) . .
Gd1 C3 Gd3 14.62(13) . .
Gd5 C3 Gd3 34.5(4) 6_565 .
C18 C4 C3 115.0(15) . .
C18 C4 C5 117.9(16) . .
C3 C4 C5 117.7(15) . .
C18 C4 Gd5 84.8(14) . 6_565
C3 C4 Gd5 90.0(15) . 6_565
C5 C4 Gd5 65.1(13) . 6_565
C18 C4 Gd1 97.5(15) . .
C3 C4 Gd1 68.1(12) . .
C5 C4 Gd1 74.7(13) . .
Gd5 C4 Gd1 22.2(5) 6_565 .
C18 C4 Gd4 90.6(14) . 6_565
C3 C4 Gd4 95.0(14) . 6_565
C5 C4 Gd4 55.1(12) . 6_565
Gd5 C4 Gd4 10.1(4) 6_565 6_565
Gd1 C4 Gd4 27.3(3) . 6_565
C18 C4 Gd2 99.4(14) . 6_565
C3 C4 Gd2 81.8(13) . 6_565
C5 C4 Gd2 59.6(12) . 6_565
Gd5 C4 Gd2 14.7(4) 6_565 6_565
Gd1 C4 Gd2 15.98(16) . 6_565
Gd4 C4 Gd2 13.68(15) 6_565 6_565
C21 C5 C6 113.4(16) . .
C21 C5 C4 116.3(17) . .
C6 C5 C4 117.1(16) . .
C21 C5 Gd5 71.4(14) . 6_565
C6 C5 Gd5 84.0(14) . 6_565
C4 C5 Gd5 77.8(15) . 6_565
C21 C5 Gd4 63.1(12) . 6_565
C6 C5 Gd4 76.0(13) . 6_565
C4 C5 Gd4 94.4(15) . 6_565
Gd5 C5 Gd4 16.6(4) 6_565 6_565
C21 C5 Gd2 78.6(13) . 6_565
C6 C5 Gd2 64.4(12) . 6_565
C4 C5 Gd2 90.3(14) . 6_565
Gd5 C5 Gd2 19.8(4) 6_565 6_565
Gd4 C5 Gd2 15.85(19) 6_565 6_565
C21 C5 Gd1 92.2(14) . .
C6 C5 Gd1 70.1(12) . .
C4 C5 Gd1 71.9(13) . .
Gd5 C5 Gd1 21.4(5) 6_565 .
Gd4 C5 Gd1 30.7(3) 6_565 .
Gd2 C5 Gd1 19.25(18) 6_565 .
C1 C6 C5 125.2(17) . .
C1 C6 C7 118(2) . .
C5 C6 C7 104.5(17) . .
C1 C6 Gd2 82.7(15) . 6_565
C5 C6 Gd2 81.5(13) . 6_565
C7 C6 Gd2 70(2) . 6_565
C1 C6 Gd4 98.8(16) . 6_565
C5 C6 Gd4 69.4(12) . 6_565
C7 C6 Gd4 64(2) . 6_565
Gd2 C6 Gd4 16.40(18) 6_565 6_565
C1 C6 Gd1 70.7(14) . .
C5 C6 Gd1 77.0(13) . .
C7 C6 Gd1 90(3) . .
Gd2 C6 Gd1 20.1(2) 6_565 .
Gd4 C6 Gd1 31.1(3) 6_565 .
C1 C6 Gd5 92.8(16) . 6_565
C5 C6 Gd5 61.2(12) . 6_565
C7 C6 Gd5 80(2) . 6_565
Gd2 C6 Gd5 20.4(4) 6_565 6_565
Gd4 C6 Gd5 15.7(4) 6_565 6_565
Gd1 C6 Gd5 22.1(5) . 6_565
C1 C6 Gd3 59.4(14) . .
C5 C6 Gd3 92.0(14) . .
C7 C6 Gd3 88(2) . .
Gd2 C6 Gd3 23.9(2) 6_565 .
Gd4 C6 Gd3 39.4(4) 6_565 .
Gd1 C6 Gd3 15.01(15) . .
Gd5 C6 Gd3 35.3(5) 6_565 .
C8 C7 C22 121(2) . .
C8 C7 C6 126(2) . .
C22 C7 C6 105.9(17) . .
C8 C7 Gd4 98(3) . 6_565
C22 C7 Gd4 63(2) . 6_565
C6 C7 Gd4 80(2) . 6_565
C8 C7 Gd2 89(3) . 6_565
C22 C7 Gd2 80(2) . 6_565
C6 C7 Gd2 73(2) . 6_565
Gd4 C7 Gd2 17.7(4) 6_565 6_565
C8 C7 Gd7 68(2) . 6_565
C22 C7 Gd7 76(2) . 6_565
C6 C7 Gd7 102(3) . 6_565
Gd4 C7 Gd7 30.6(11) 6_565 6_565
Gd2 C7 Gd7 29.5(11) 6_565 6_565
C8 C7 Gd5 106(3) . 6_565
C22 C7 Gd5 67(2) . 6_565
C6 C7 Gd5 68(2) . 6_565
Gd4 C7 Gd5 12.5(4) 6_565 6_565
Gd2 C7 Gd5 18.2(5) 6_565 6_565
Gd7 C7 Gd5 41.2(13) 6_565 6_565
C8 C7 Gd1 96(3) . .
C22 C7 Gd1 86(2) . .
C6 C7 Gd1 60(2) . .
Gd4 C7 Gd1 26.5(6) 6_565 .
Gd2 C7 Gd1 13.4(3) 6_565 .
Gd7 C7 Gd1 42.6(12) 6_565 .
Gd5 C7 Gd1 19.5(5) 6_565 .
C25 C8 C7 120.2(18) . .
C25 C8 C9 115.8(15) . .
C7 C8 C9 114.6(18) . .
C25 C8 Gd7 72.9(15) . 6_565
C7 C8 Gd7 77(3) . 6_565
C9 C8 Gd7 90.0(15) . 6_565
C25 C8 Gd2 99.3(13) . 6_565
C7 C8 Gd2 59(2) . 6_565
C9 C8 Gd2 81.7(11) . 6_565
Gd7 C8 Gd2 26.7(9) 6_565 6_565
C25 C8 Gd4 92.4(13) . 6_565
C7 C8 Gd4 52(2) . 6_565
C9 C8 Gd4 95.9(11) . 6_565
Gd7 C8 Gd4 25.3(10) 6_565 6_565
Gd2 C8 Gd4 14.24(14) 6_565 6_565
C28 C9 C10 113.7(15) . .
C28 C9 C8 117.6(16) . .
C10 C9 C8 118.2(15) . .
C28 C9 Gd7 85.8(17) . 6_565
C10 C9 Gd7 96.5(15) . 6_565
C8 C9 Gd7 57.0(12) . 6_565
C28 C9 Gd2 99.8(15) . 6_565
C10 C9 Gd2 72.4(12) . 6_565
C8 C9 Gd2 67.3(10) . 6_565
Gd7 C9 Gd2 24.7(8) 6_565 6_565
C28 C9 Gd3 88.4(14) . .
C10 C9 Gd3 58.1(11) . .
C8 C9 Gd3 91.1(11) . .
Gd7 C9 Gd3 41.4(8) 6_565 .
Gd2 C9 Gd3 23.84(19) 6_565 .
C1 C10 C9 125.1(17) . .
C1 C10 C11 120.5(15) . .
C9 C10 C11 105.4(14) . .
C1 C10 Gd3 72.8(14) . .
C9 C10 Gd3 92.2(13) . .
C11 C10 Gd3 76.4(11) . .
C1 C10 Gd2 66.3(14) . 6_565
C9 C10 Gd2 77.9(12) . 6_565
C11 C10 Gd2 100.4(13) . 6_565
Gd3 C10 Gd2 25.4(2) . 6_565
C1 C10 Gd1 59.4(14) . .
C9 C10 Gd1 94.5(13) . .
C11 C10 Gd1 90.3(12) . .
Gd3 C10 Gd1 15.25(16) . .
Gd2 C10 Gd1 17.66(15) 6_565 .
C1 C10 Gd6 81.8(15) . 6_565
C9 C10 Gd6 98.9(14) . 6_565
C11 C10 Gd6 59.5(11) . 6_565
Gd3 C10 Gd6 17.1(5) . 6_565
Gd2 C10 Gd6 42.3(5) 6_565 6_565
Gd1 C10 Gd6 31.0(5) . 6_565
C12 C11 C29 119.8(18) . .
C12 C11 C10 128.0(15) . .
C29 C11 C10 103.8(14) . .
C12 C11 Gd3 81.1(18) . .
C29 C11 Gd3 91.9(13) . .
C10 C11 Gd3 69.8(11) . .
C12 C11 Gd6 64.3(19) . 6_565
C29 C11 Gd6 89.5(13) . 6_565
C10 C11 Gd6 90.9(13) . 6_565
Gd3 C11 Gd6 21.3(6) . 6_565
C32 C12 C11 123(2) . .
C32 C12 C13 118.5(19) . .
C11 C12 C13 107.6(17) . .
C32 C12 Gd6 82(2) . 6_565
C11 C12 Gd6 83.1(19) . 6_565
C13 C12 Gd6 71.7(18) . 6_565
C32 C12 Gd3 101(2) . .
C11 C12 Gd3 68.5(16) . .
C13 C12 Gd3 66.2(16) . .
Gd6 C12 Gd3 19.7(7) 6_565 .
C14 C13 C2 110.9(14) . .
C14 C13 C12 114.3(16) . .
C2 C13 C12 127.3(16) . .
C14 C13 Gd6 78.5(13) . 6_565
C2 C13 Gd6 93.1(14) . 6_565
C12 C13 Gd6 71.3(19) . 6_565
C14 C13 Gd3 91.5(12) . .
C2 C13 Gd3 71.7(11) . .
C12 C13 Gd3 81.3(18) . .
Gd6 C13 Gd3 22.1(6) 6_565 .
C14 C13 Gd1 86.7(11) . .
C2 C13 Gd1 59.8(10) . .
C12 C13 Gd1 97.1(18) . .
Gd6 C13 Gd1 33.8(7) 6_565 .
Gd3 C13 Gd1 15.90(16) . .
C34 C14 C13 127.3(14) . .
C34 C14 C15 119.4(13) . .
C13 C14 C15 106.2(13) . .
C34 C14 Gd6 83.9(11) . 6_565
C13 C14 Gd6 67.9(12) . 6_565
C15 C14 Gd6 92.8(12) . 6_565
C34 C14 Gd3 101.3(10) . .
C13 C14 Gd3 60.0(11) . .
C15 C14 Gd3 80.5(10) . .
Gd6 C14 Gd3 17.9(6) 6_565 .
C14 C15 C3 111.5(13) . .
C14 C15 C16 119.6(13) . .
C3 C15 C16 120.6(13) . .
C14 C15 Gd1 86.8(10) . .
C3 C15 Gd1 60.2(10) . .
C16 C15 Gd1 93.8(11) . .
C14 C15 Gd6 58.1(10) . 6_565
C3 C15 Gd6 85.9(12) . 6_565
C16 C15 Gd6 96.5(12) . 6_565
Gd1 C15 Gd6 31.7(5) . 6_565
C14 C15 Gd3 72.0(9) . .
C3 C15 Gd3 68.5(10) . .
C16 C15 Gd3 100.0(11) . .
Gd1 C15 Gd3 14.82(11) . .
Gd6 C15 Gd3 18.3(5) 6_565 .
C36 C16 C15 126.1(12) . .
C36 C16 C17 119.8(11) . .
C15 C16 C17 111.7(11) . .
C39 C17 C18 113.9(10) . .
C39 C17 C16 115.6(11) . .
C18 C17 C16 122.2(12) . .
C4 C18 C17 124.4(14) . .
C4 C18 C19 124.2(14) . .
C17 C18 C19 103.6(11) . .
C4 C18 Gd5 65.0(13) . 6_565
C17 C18 Gd5 99.8(11) . 6_565
C19 C18 Gd5 81.7(10) . 6_565
C4 C18 Gd1 56.8(13) . .
C17 C18 Gd1 91.9(9) . .
C19 C18 Gd1 99.2(10) . .
Gd5 C18 Gd1 17.9(4) 6_565 .
C20 C19 C40 125.6(13) . .
C20 C19 C18 117.0(12) . .
C40 C19 C18 108.3(12) . .
C20 C19 Gd5 64.2(10) . 6_565
C40 C19 Gd5 111.9(11) . 6_565
C18 C19 Gd5 67.3(10) . 6_565
C21 C20 C19 118.4(14) . .
C21 C20 C43 117.4(13) . .
C19 C20 C43 117.9(14) . .
C21 C20 Gd5 60.3(12) . 6_565
C19 C20 Gd5 86.4(11) . 6_565
C43 C20 Gd5 98.7(13) . 6_565
C21 C20 Gd4 54.9(11) . 6_565
C19 C20 Gd4 101.3(11) . 6_565
C43 C20 Gd4 89.3(11) . 6_565
Gd5 C20 Gd4 15.1(4) 6_565 6_565
C20 C21 C5 125.1(16) . .
C20 C21 C22 123.5(17) . .
C5 C21 C22 104.4(14) . .
C20 C21 Gd4 93.3(14) . 6_565
C5 C21 Gd4 81.6(14) . 6_565
C22 C21 Gd4 66.6(12) . 6_565
C20 C21 Gd5 86.8(14) . 6_565
C5 C21 Gd5 72.0(14) . 6_565
C22 C21 Gd5 84.1(14) . 6_565
Gd4 C21 Gd5 18.0(4) 6_565 6_565
C20 C21 Gd2 102.4(14) . 6_565
C5 C21 Gd2 70.4(12) . 6_565
C22 C21 Gd2 67.8(12) . 6_565
Gd4 C21 Gd2 11.7(2) 6_565 6_565
Gd5 C21 Gd2 18.2(4) 6_565 6_565
C20 C21 Gd1 98.0(13) . .
C5 C21 Gd1 60.1(12) . .
C22 C21 Gd1 83.3(12) . .
Gd4 C21 Gd1 23.5(3) 6_565 .
Gd5 C21 Gd1 12.9(4) 6_565 .
Gd2 C21 Gd1 16.17(14) 6_565 .
C21 C22 C23 119.7(16) . .
C21 C22 C7 111.7(16) . .
C23 C22 C7 119.3(19) . .
C21 C22 Gd4 74.0(13) . 6_565
C23 C22 Gd4 86.4(13) . 6_565
C7 C22 Gd4 78(3) . 6_565
C21 C22 Gd7 103.6(16) . 6_565
C23 C22 Gd7 69.0(14) . 6_565
C7 C22 Gd7 69(3) . 6_565
Gd4 C22 Gd7 29.8(9) 6_565 6_565
C21 C22 Gd5 61.6(12) . 6_565
C23 C22 Gd5 96.3(13) . 6_565
C7 C22 Gd5 81(2) . 6_565
Gd4 C22 Gd5 13.0(4) 6_565 6_565
Gd7 C22 Gd5 42.6(9) 6_565 6_565
C21 C22 Gd2 80.4(13) . 6_565
C23 C22 Gd2 93.8(13) . 6_565
C7 C22 Gd2 65(2) . 6_565
Gd4 C22 Gd2 13.9(2) 6_565 6_565
Gd7 C22 Gd2 27.8(9) 6_565 6_565
Gd5 C22 Gd2 20.3(4) 6_565 6_565
C44 C23 C22 121.7(15) . .
C44 C23 C24 119.8(14) . .
C22 C23 C24 115.2(14) . .
C44 C23 Gd7 102.3(16) . 6_565
C22 C23 Gd7 76.6(15) . 6_565
C24 C23 Gd7 72.7(14) . 6_565
C44 C23 Gd4 93.2(12) . 6_565
C22 C23 Gd4 57.3(11) . 6_565
C24 C23 Gd4 101.8(13) . 6_565
Gd7 C23 Gd4 29.7(9) 6_565 6_565
C44 C23 Gd2 101.6(13) . 6_565
C22 C23 Gd2 57.1(11) . 6_565
C24 C23 Gd2 92.9(12) . 6_565
Gd7 C23 Gd2 22.8(9) 6_565 6_565
Gd4 C23 Gd2 9.92(19) 6_565 6_565
C44 C23 Gd5 88.9(12) . 6_565
C22 C23 Gd5 55.4(11) . 6_565
C24 C23 Gd5 109.0(13) . 6_565
Gd7 C23 Gd5 36.8(9) 6_565 6_565
Gd4 C23 Gd5 7.3(4) 6_565 6_565
Gd2 C23 Gd5 16.9(3) 6_565 6_565
C47 C24 C25 113.3(14) . .
C47 C24 C23 114.6(16) . .
C25 C24 C23 120.1(16) . .
C47 C24 Gd7 98.4(16) . 6_565
C25 C24 Gd7 67.6(15) . 6_565
C23 C24 Gd7 71.9(14) . 6_565
C8 C25 C24 122.0(16) . .
C8 C25 C26 121.9(16) . .
C24 C25 C26 107.4(13) . .
C8 C25 Gd7 73.4(15) . 6_565
C24 C25 Gd7 76.7(15) . 6_565
C26 C25 Gd7 91.9(15) . 6_565
C27 C26 C48 123.8(15) . .
C27 C26 C25 124.3(15) . .
C48 C26 C25 101.8(11) . .
C27 C26 Gd7 89.1(14) . 6_565
C48 C26 Gd7 92.6(12) . 6_565
C25 C26 Gd7 55.8(13) . 6_565
C26 C27 C28 110.8(14) . .
C26 C27 C51 120.0(15) . .
C28 C27 C51 121.3(15) . .
C27 C28 C9 128.3(17) . .
C27 C28 C29 123.6(16) . .
C9 C28 C29 103.1(14) . .
C27 C28 Gd7 80.4(15) . 6_565
C9 C28 Gd7 66.3(15) . 6_565
C29 C28 Gd7 104.7(17) . 6_565
C28 C29 C30 116.5(15) . .
C28 C29 C11 113.8(15) . .
C30 C29 C11 121.1(15) . .
C28 C29 Gd6 100.8(16) . 6_565
C30 C29 Gd6 81.3(13) . 6_565
C11 C29 Gd6 60.9(12) . 6_565
C28 C29 Gd3 85.1(14) . .
C30 C29 Gd3 96.9(14) . .
C11 C29 Gd3 59.1(11) . .
Gd6 C29 Gd3 18.4(5) 6_565 .
C52 C30 C29 123.8(14) . .
C52 C30 C31 117.8(13) . .
C29 C30 C31 111.7(13) . .
C55 C31 C32 106.9(12) . .
C55 C31 C30 118.5(14) . .
C32 C31 C30 126.8(13) . .
C55 C31 Gd6 99.2(15) . 6_565
C32 C31 Gd6 61.6(10) . 6_565
C30 C31 Gd6 84.1(12) . 6_565
C12 C32 C31 116.4(15) . .
C12 C32 C33 125.6(15) . .
C31 C32 C33 108.1(12) . .
C12 C32 Gd6 66.4(19) . 6_565
C31 C32 Gd6 88.4(11) . 6_565
C33 C32 Gd6 86.1(11) . 6_565
C34 C33 C56 124.5(14) . .
C34 C33 C32 115.6(13) . .
C56 C33 C32 107.9(12) . .
C34 C33 Gd6 70.4(10) . 6_565
C56 C33 Gd6 103.5(14) . 6_565
C32 C33 Gd6 62.7(10) . 6_565
C14 C34 C33 117.8(12) . .
C14 C34 C35 119.3(12) . .
C33 C34 C35 117.9(13) . .
C14 C34 Gd6 65.3(10) . 6_565
C33 C34 Gd6 80.6(11) . 6_565
C35 C34 Gd6 102.6(11) . 6_565
C58 C35 C34 115.3(13) . .
C58 C35 C36 112.6(11) . .
C34 C35 C36 124.8(12) . .
C16 C36 C37 123.8(10) . .
C16 C36 C35 109.5(9) . .
C37 C36 C35 124.1(10) . .
C60 C37 C36 118.3(12) . .
C60 C37 C38 120.9(12) . .
C36 C37 C38 116.0(11) . .
C39 C38 C63 123.3(11) . .
C39 C38 C37 115.5(11) . .
C63 C38 C37 116.5(10) . .
C17 C39 C38 128.8(10) . .
C17 C39 C40 104.9(9) . .
C38 C39 C40 116.3(10) . .
C41 C40 C19 113.9(14) . .
C41 C40 C39 125.8(13) . .
C19 C40 C39 108.7(11) . .
C40 C41 C64 109.4(12) . .
C40 C41 C42 125.1(15) . .
C64 C41 C42 112.4(11) . .
C66 C42 C43 129.8(13) . .
C66 C42 C41 107.3(11) . .
C43 C42 C41 117.7(13) . .
C42 C43 C20 118.4(14) . .
C42 C43 C44 113.4(13) . .
C20 C43 C44 121.8(13) . .
C42 C43 Gd4 118.7(13) . 6_565
C20 C43 Gd4 61.9(10) . 6_565
C44 C43 Gd4 71.4(10) . 6_565
C23 C44 C45 122.5(15) . .
C23 C44 C43 115.4(13) . .
C45 C44 C43 118.0(14) . .
C23 C44 Gd4 57.5(10) . 6_565
C45 C44 Gd4 115.4(13) . 6_565
C43 C44 Gd4 78.3(10) . 6_565
C23 C44 Gd7 50.5(13) . 6_565
C45 C44 Gd7 98.6(13) . 6_565
C43 C44 Gd7 101.5(13) . 6_565
Gd4 C44 Gd7 24.0(7) 6_565 6_565
C67 C45 C44 122.5(14) . .
C67 C45 C46 114.6(11) . .
C44 C45 C46 118.8(13) . .
C47 C46 C70 122.6(13) . .
C47 C46 C45 111.6(12) . .
C70 C46 C45 119.6(11) . .
C24 C47 C46 132.5(16) . .
C24 C47 C48 101.3(12) . .
C46 C47 C48 118.3(14) . .
C24 C47 Gd7 54.0(13) . 6_565
C46 C47 Gd7 102.6(14) . 6_565
C48 C47 Gd7 84.5(12) . 6_565
C49 C48 C26 113.8(13) . .
C49 C48 C47 119.5(14) . .
C26 C48 C47 114.7(12) . .
C48 C49 C71 120.0(13) . .
C48 C49 C50 126.9(12) . .
C71 C49 C50 102.7(10) . .
C73 C50 C51 118.6(11) . .
C73 C50 C49 117.1(11) . .
C51 C50 C49 115.5(13) . .
C50 C51 C27 118.6(14) . .
C50 C51 C52 119.3(12) . .
C27 C51 C52 117.2(12) . .
C30 C52 C53 124.5(13) . .
C30 C52 C51 117.0(11) . .
C53 C52 C51 116.1(11) . .
C74 C53 C52 125.7(14) . .
C74 C53 C54 113.2(12) . .
C52 C53 C54 116.8(13) . .
C55 C54 C77 121.4(13) . .
C55 C54 C53 114.7(13) . .
C77 C54 C53 118.2(12) . .
C55 C54 Gd6 86.4(13) . .
C77 C54 Gd6 61.1(12) . .
C53 C54 Gd6 100.5(13) . .
C31 C55 C54 127.7(15) . .
C31 C55 C56 111.0(12) . .
C54 C55 C56 114.7(12) . .
C31 C55 Gd6 111.3(16) . .
C54 C55 Gd6 65.8(12) . .
C56 C55 Gd6 68.6(10) . .
C57 C56 C33 119.2(13) . .
C57 C56 C55 123.6(13) . .
C33 C56 C55 105.4(12) . .
C57 C56 Gd6 57.6(10) . .
C33 C56 Gd6 102.1(14) . .
C55 C56 Gd6 82.0(11) . .
C56 C57 C78 120.3(13) . .
C56 C57 C58 115.8(13) . .
C78 C57 C58 113.7(12) . .
C56 C57 Gd6 94.0(12) . .
C78 C57 Gd6 65.7(12) . .
C58 C57 Gd6 78.3(10) . .
C35 C58 C59 124.8(12) . .
C35 C58 C57 126.0(13) . .
C59 C58 C57 101.6(11) . .
C35 C58 Gd6 99.8(11) . .
C59 C58 Gd6 72.5(11) . .
C57 C58 Gd6 66.8(9) . .
C58 C59 C79 114.2(13) . .
C58 C59 C60 122.3(13) . .
C79 C59 C60 115.6(13) . .
C58 C59 Gd6 75.5(11) . .
C79 C59 Gd6 68.5(12) . .
C60 C59 Gd6 97.3(13) . .
C58 C59 Gd1 107.3(11) . 6_565
C79 C59 Gd1 68.1(10) . 6_565
C60 C59 Gd1 67.8(10) . 6_565
Gd6 C59 Gd1 35.1(6) . 6_565
C58 C59 Gd3 96.3(10) . 6_565
C79 C59 Gd3 60.1(10) . 6_565
C60 C59 Gd3 84.5(11) . 6_565
Gd6 C59 Gd3 20.8(6) . 6_565
Gd1 C59 Gd3 16.98(13) 6_565 6_565
C37 C60 C61 116.3(14) . .
C37 C60 C59 118.0(13) . .
C61 C60 C59 119.9(14) . .
C37 C60 Gd1 101.0(12) . 6_565
C61 C60 Gd1 66.5(12) . 6_565
C59 C60 Gd1 79.8(10) . 6_565
C37 C60 Gd5 91.7(11) . .
C61 C60 Gd5 55.2(12) . .
C59 C60 Gd5 99.5(12) . .
Gd1 C60 Gd5 19.7(4) 6_565 .
C37 C60 Gd3 104.5(12) . 6_565
C61 C60 Gd3 77.7(12) . 6_565
C59 C60 Gd3 65.8(10) . 6_565
Gd1 C60 Gd3 14.21(13) 6_565 6_565
Gd5 C60 Gd3 33.8(4) . 6_565
C37 C60 Gd6 96.8(12) . .
C61 C60 Gd6 96.0(14) . .
C59 C60 Gd6 54.4(10) . .
Gd1 C60 Gd6 30.9(5) 6_565 .
Gd5 C60 Gd6 48.7(6) . .
Gd3 C60 Gd6 18.3(5) 6_565 .
C62 C61 C60 125.4(15) . .
C62 C61 C81 105.6(13) . .
C60 C61 C81 120.3(16) . .
C62 C61 Gd1 93.9(13) . 6_565
C60 C61 Gd1 78.9(13) . 6_565
C81 C61 Gd1 67.9(12) . 6_565
C62 C61 Gd5 70.0(12) . .
C60 C61 Gd5 94.2(14) . .
C81 C61 Gd5 74.6(13) . .
Gd1 C61 Gd5 24.0(5) 6_565 .
C62 C61 Gd2 83.1(12) . .
C60 C61 Gd2 94.8(14) . .
C81 C61 Gd2 60.2(11) . .
Gd1 C61 Gd2 15.99(16) 6_565 .
Gd5 C61 Gd2 16.5(4) . .
C62 C61 Gd4 68.9(11) . .
C60 C61 Gd4 102.6(14) . .
C81 C61 Gd4 66.5(11) . .
Gd1 C61 Gd4 27.4(3) 6_565 .
Gd5 C61 Gd4 9.6(4) . .
Gd2 C61 Gd4 14.15(15) . .
C62 C61 Gd3 104.2(13) . 6_565
C60 C61 Gd3 73.9(12) . 6_565
C81 C61 Gd3 64.7(12) . 6_565
Gd1 C61 Gd3 10.30(14) 6_565 6_565
Gd5 C61 Gd3 34.2(5) . 6_565
Gd2 C61 Gd3 23.7(2) . 6_565
Gd4 C61 Gd3 36.8(3) . 6_565
C63 C62 C83 124.5(15) . .
C63 C62 C61 117.2(14) . .
C83 C62 C61 110.5(14) . .
C63 C62 Gd5 95.3(11) . .
C83 C62 Gd5 71.8(13) . .
C61 C62 Gd5 74.0(13) . .
C63 C62 Gd4 100.9(10) . .
C83 C62 Gd4 59.4(12) . .
C61 C62 Gd4 81.6(12) . .
Gd5 C62 Gd4 12.5(5) . .
C63 C62 Gd1 102.2(10) . 6_565
C83 C62 Gd1 82.1(12) . 6_565
C61 C62 Gd1 55.8(11) . 6_565
Gd5 C62 Gd1 18.3(5) . 6_565
Gd4 C62 Gd1 27.9(2) . 6_565
C63 C62 Gd2 106.4(10) . .
C83 C62 Gd2 66.2(12) . .
C61 C62 Gd2 68.8(11) . .
Gd5 C62 Gd2 11.1(3) . .
Gd4 C62 Gd2 12.78(15) . .
Gd1 C62 Gd2 16.68(11) 6_565 .
C64 C63 C62 120.4(12) . .
C64 C63 C38 109.5(11) . .
C62 C63 C38 123.3(12) . .
C64 C63 Gd5 97.8(9) . .
C62 C63 Gd5 54.8(9) . .
C38 C63 Gd5 95.4(9) . .
C63 C64 C41 134.0(12) . .
C63 C64 C65 115.0(13) . .
C41 C64 C65 100.0(11) . .
C84 C65 C66 115.7(15) . .
C84 C65 C64 125.1(16) . .
C66 C65 C64 113.3(13) . .
C42 C66 C65 105.7(12) . .
C42 C66 C67 116.0(14) . .
C65 C66 C67 124.5(15) . .
C45 C67 C68 121.7(13) . .
C45 C67 C66 120.0(13) . .
C68 C67 C66 116.2(13) . .
C69 C68 C67 122.4(17) . .
C69 C68 C85 110.5(15) . .
C67 C68 C85 113.0(16) . .
C70 C69 C87 130.1(16) . .
C70 C69 C68 116.6(15) . .
C87 C69 C68 107.5(14) . .
C70 C69 Gd7 97.9(15) . .
C87 C69 Gd7 59.3(13) . .
C68 C69 Gd7 89.7(16) . .
C69 C70 C71 117.1(13) . .
C69 C70 C46 123.1(13) . .
C71 C70 C46 114.8(13) . .
C70 C71 C49 123.7(14) . .
C70 C71 C72 115.7(13) . .
C49 C71 C72 106.7(11) . .
C88 C72 C73 116.6(16) . .
C88 C72 C71 123.4(15) . .
C73 C72 C71 112.5(13) . .
C88 C72 Gd7 55.4(16) . .
C73 C72 Gd7 92.2(13) . .
C71 C72 Gd7 97.2(13) . .
C50 C73 C72 100.6(12) . .
C50 C73 C74 127.9(12) . .
C72 C73 C74 123.6(14) . .
C53 C74 C75 124.5(14) . .
C53 C74 C73 112.4(13) . .
C75 C74 C73 118.4(13) . .
C76 C75 C89 113.0(16) . .
C76 C75 C74 122.3(15) . .
C89 C75 C74 112.7(15) . .
C76 C75 Gd7 89.5(16) . .
C89 C75 Gd7 55.2(14) . .
C74 C75 Gd7 88.9(14) . .
C77 C76 C91 133.4(18) . .
C77 C76 C75 114.0(16) . .
C91 C76 C75 106.2(15) . .
C77 C76 Gd3 79.3(13) . 6_565
C91 C76 Gd3 71.8(15) . 6_565
C75 C76 Gd3 99.2(16) . 6_565
C77 C76 Gd6 59.4(13) . .
C91 C76 Gd6 89.0(16) . .
C75 C76 Gd6 104.6(16) . .
Gd3 C76 Gd6 20.0(5) 6_565 .
C77 C76 Gd2 101.2(15) . .
C91 C76 Gd2 58.3(14) . .
C75 C76 Gd2 86.1(14) . .
Gd3 C76 Gd2 22.4(2) 6_565 .
Gd6 C76 Gd2 41.8(6) . .
C76 C77 C78 105.6(14) . .
C76 C77 C54 127.0(15) . .
C78 C77 C54 120.7(15) . .
C76 C77 Gd6 90.3(15) . .
C78 C77 Gd6 65.2(13) . .
C54 C77 Gd6 87.0(13) . .
C76 C77 Gd3 69.3(13) . 6_565
C78 C77 Gd3 71.0(12) . 6_565
C54 C77 Gd3 101.2(13) . 6_565
Gd6 C77 Gd3 21.0(6) . 6_565
C77 C78 C57 118.2(14) . .
C77 C78 C79 126.4(15) . .
C57 C78 C79 103.3(13) . .
C77 C78 Gd6 79.4(13) . .
C57 C78 Gd6 78.4(13) . .
C79 C78 Gd6 77.4(14) . .
C77 C78 Gd3 77.7(12) . 6_565
C57 C78 Gd3 97.8(12) . 6_565
C79 C78 Gd3 63.8(11) . 6_565
Gd6 C78 Gd3 21.5(7) . 6_565
C80 C79 C59 124.2(16) . .
C80 C79 C78 120.9(14) . .
C59 C79 C78 106.3(14) . .
C80 C79 Gd3 73.1(14) . 6_565
C59 C79 Gd3 87.4(12) . 6_565
C78 C79 Gd3 81.3(13) . 6_565
C80 C79 Gd6 96.1(16) . .
C59 C79 Gd6 77.2(12) . .
C78 C79 Gd6 65.1(13) . .
Gd3 C79 Gd6 23.4(6) 6_565 .
C80 C79 Gd1 65.5(13) . 6_565
C59 C79 Gd1 79.7(11) . 6_565
C78 C79 Gd1 99.4(13) . 6_565
Gd3 C79 Gd1 18.25(18) 6_565 6_565
Gd6 C79 Gd1 37.2(7) . 6_565
C79 C80 C81 122.3(18) . .
C79 C80 C91 116.6(16) . .
C81 C80 C91 111.7(17) . .
C79 C80 Gd1 82.5(14) . 6_565
C81 C80 Gd1 69.5(12) . 6_565
C91 C80 Gd1 88.0(15) . 6_565
C79 C80 Gd3 73.4(14) . 6_565
C81 C80 Gd3 88.9(14) . 6_565
C91 C80 Gd3 77.4(14) . 6_565
Gd1 C80 Gd3 19.6(2) 6_565 6_565
C79 C80 Gd2 99.1(15) . .
C81 C80 Gd2 67.3(12) . .
C91 C80 Gd2 72.6(13) . .
Gd1 C80 Gd2 18.84(19) 6_565 .
Gd3 C80 Gd2 27.2(3) 6_565 .
C79 C80 Gd6 56.0(13) . .
C81 C80 Gd6 101.4(15) . .
C91 C80 Gd6 84.5(14) . .
Gd1 C80 Gd6 33.2(6) 6_565 .
Gd3 C80 Gd6 17.7(5) 6_565 .
Gd2 C80 Gd6 44.8(6) . .
C79 C80 Gd5 96.7(15) . .
C81 C80 Gd5 54.3(11) . .
C91 C80 Gd5 89.0(14) . .
Gd1 C80 Gd5 16.4(3) 6_565 .
Gd3 C80 Gd5 34.8(4) 6_565 .
Gd2 C80 Gd5 17.3(3) . .
Gd6 C80 Gd5 49.6(7) . .
C80 C81 C61 117.4(16) . .
C80 C81 C82 125.2(17) . .
C61 C81 C82 109.7(14) . .
C80 C81 Gd1 74.4(13) . 6_565
C61 C81 Gd1 75.4(13) . 6_565
C82 C81 Gd1 92.6(15) . 6_565
C80 C81 Gd5 97.2(14) . .
C61 C81 Gd5 69.8(13) . .
C82 C81 Gd5 73.6(14) . .
Gd1 C81 Gd5 23.8(5) 6_565 .
C80 C81 Gd2 80.6(13) . .
C61 C81 Gd2 89.1(13) . .
C82 C81 Gd2 73.3(14) . .
Gd1 C81 Gd2 20.62(19) 6_565 .
Gd5 C81 Gd2 21.0(4) . .
C80 C81 Gd4 95.8(13) . .
C61 C81 Gd4 83.5(13) . .
C82 C81 Gd4 62.5(13) . .
Gd1 C81 Gd4 30.3(3) 6_565 .
Gd5 C81 Gd4 14.6(4) . .
Gd2 C81 Gd4 15.20(15) . .
C80 C81 Gd3 59.5(12) . 6_565
C61 C81 Gd3 86.2(13) . 6_565
C82 C81 Gd3 99.0(15) . 6_565
Gd1 C81 Gd3 15.13(15) 6_565 6_565
Gd5 C81 Gd3 37.8(5) . 6_565
Gd2 C81 Gd3 26.4(2) . 6_565
Gd4 C81 Gd3 40.4(3) . 6_565
C92 C82 C83 118.5(18) . .
C92 C82 C81 118.4(19) . .
C83 C82 C81 104.1(16) . .
C92 C82 Gd4 72.1(15) . .
C83 C82 Gd4 70.7(15) . .
C81 C82 Gd4 83.9(14) . .
C92 C82 Gd5 87.6(17) . .
C83 C82 Gd5 66.0(15) . .
C81 C82 Gd5 70.9(14) . .
Gd4 C82 Gd5 16.4(4) . .
C92 C82 Gd2 70.1(15) . .
C83 C82 Gd2 85.1(16) . .
C81 C82 Gd2 71.8(13) . .
Gd4 C82 Gd2 16.5(2) . .
Gd5 C82 Gd2 20.8(4) . .
C92 C82 Gd1 86.2(16) . 6_565
C83 C82 Gd1 84.4(15) . 6_565
C81 C82 Gd1 54.8(12) . 6_565
Gd4 C82 Gd1 29.3(4) . 6_565
Gd5 C82 Gd1 20.6(5) . 6_565
Gd2 C82 Gd1 18.2(2) . 6_565
C62 C83 C82 109.7(15) . .
C62 C83 C84 116.0(16) . .
C82 C83 C84 127.5(17) . .
C62 C83 Gd5 72.6(12) . .
C82 C83 Gd5 78.3(16) . .
C84 C83 Gd5 91.7(16) . .
C62 C83 Gd4 89.6(13) . .
C82 C83 Gd4 73.3(15) . .
C84 C83 Gd4 82.4(15) . .
Gd5 C83 Gd4 17.2(4) . .
C62 C83 Gd2 86.3(13) . .
C82 C83 Gd2 63.3(15) . .
C84 C83 Gd2 94.8(15) . .
Gd5 C83 Gd2 17.0(4) . .
Gd4 C83 Gd2 12.6(2) . .
C62 C83 Gd1 70.2(11) . 6_565
C82 C83 Gd1 66.5(14) . 6_565
C84 C83 Gd1 106.1(16) . 6_565
Gd5 C83 Gd1 14.9(4) . 6_565
Gd4 C83 Gd1 25.9(3) . 6_565
Gd2 C83 Gd1 16.87(14) . 6_565
C65 C84 C85 120.5(17) . .
C65 C84 C83 118.1(17) . .
C85 C84 C83 111.6(16) . .
C65 C84 Gd4 100.1(17) . .
C85 C84 Gd4 75.1(13) . .
C83 C84 Gd4 62.9(13) . .
C65 C84 Gd5 92.9(16) . .
C85 C84 Gd5 89.5(15) . .
C83 C84 Gd5 55.5(13) . .
Gd4 C84 Gd5 14.4(3) . .
C84 C85 C68 126.9(17) . .
C84 C85 C86 119.4(16) . .
C68 C85 C86 104.8(14) . .
C84 C85 Gd4 73.7(13) . .
C68 C85 Gd4 99.8(14) . .
C86 C85 Gd4 68.0(13) . .
C84 C85 Gd7 98.3(16) . .
C68 C85 Gd7 81.7(15) . .
C86 C85 Gd7 56.9(14) . .
Gd4 C85 Gd7 25.0(7) . .
C84 C85 Gd5 63.4(13) . .
C68 C85 Gd5 105.7(15) . .
C86 C85 Gd5 75.1(13) . .
Gd4 C85 Gd5 10.2(3) . .
Gd7 C85 Gd5 35.1(8) . .
C92 C86 C87 114.6(16) . .
C92 C86 C85 128.4(17) . .
C87 C86 C85 107.6(15) . .
C92 C86 Gd7 76.7(16) . .
C87 C86 Gd7 68.4(15) . .
C85 C86 Gd7 93.1(17) . .
C92 C86 Gd4 68.4(14) . .
C87 C86 Gd4 96.9(14) . .
C85 C86 Gd4 78.5(13) . .
Gd7 C86 Gd4 29.1(9) . .
C92 C86 Gd2 58.5(13) . .
C87 C86 Gd2 92.8(13) . .
C85 C86 Gd2 92.0(14) . .
Gd7 C86 Gd2 25.3(9) . .
Gd4 C86 Gd2 13.47(19) . .
C92 C86 Gd5 64.7(14) . .
C87 C86 Gd5 104.6(14) . .
C85 C86 Gd5 77.2(13) . .
Gd7 C86 Gd5 36.6(9) . .
Gd4 C86 Gd5 7.8(3) . .
Gd2 C86 Gd5 16.7(3) . .
C69 C87 C86 109.5(15) . .
C69 C87 C88 110.1(15) . .
C86 C87 C88 130.8(17) . .
C69 C87 Gd7 90.0(16) . .
C86 C87 Gd7 76.8(16) . .
C88 C87 Gd7 75.1(16) . .
C69 C87 Gd4 92.7(12) . .
C86 C87 Gd4 54.7(12) . .
C88 C87 Gd4 95.5(14) . .
Gd7 C87 Gd4 22.9(9) . .
C72 C88 C89 121.7(18) . .
C72 C88 C87 122.1(17) . .
C89 C88 C87 108.2(17) . .
C72 C88 Gd7 97.8(19) . .
C89 C88 Gd7 73.5(17) . .
C87 C88 Gd7 68.7(15) . .
C88 C89 C75 126.2(17) . .
C88 C89 C90 124.5(17) . .
C75 C89 C90 102.2(14) . .
C88 C89 Gd7 73.1(17) . .
C75 C89 Gd7 95.7(16) . .
C90 C89 Gd7 76.9(16) . .
C88 C89 Gd2 95.1(16) . .
C75 C89 Gd2 88.3(13) . .
C90 C89 Gd2 57.3(12) . .
Gd7 C89 Gd2 23.0(9) . .
C92 C90 C91 118.4(16) . .
C92 C90 C89 121.7(17) . .
C91 C90 C89 109.2(15) . .
C92 C90 Gd2 68.7(14) . .
C91 C90 Gd2 76.9(14) . .
C89 C90 Gd2 93.0(14) . .
C92 C90 Gd7 73.6(16) . .
C91 C90 Gd7 97.2(17) . .
C89 C90 Gd7 68.8(15) . .
Gd2 C90 Gd7 27.4(9) . .
C92 C90 Gd4 56.4(13) . .
C91 C90 Gd4 89.0(15) . .
C89 C90 Gd4 95.0(14) . .
Gd2 C90 Gd4 13.67(16) . .
Gd7 C90 Gd4 26.2(9) . .
C92 C90 Gd3 89.7(14) . 6_565
C91 C90 Gd3 55.9(13) . 6_565
C89 C90 Gd3 90.7(13) . 6_565
Gd2 C90 Gd3 23.4(2) . 6_565
Gd7 C90 Gd3 41.8(9) . 6_565
Gd4 C90 Gd3 37.0(3) . 6_565
C92 C90 Gd1 75.0(13) . 6_565
C91 C90 Gd1 63.0(13) . 6_565
C89 C90 Gd1 100.9(14) . 6_565
Gd2 C90 Gd1 14.43(15) . 6_565
Gd7 C90 Gd1 40.6(9) . 6_565
Gd4 C90 Gd1 26.1(2) . 6_565
Gd3 C90 Gd1 15.03(13) 6_565 6_565
C76 C91 C90 109.0(15) . .
C76 C91 C80 115.0(17) . .
C90 C91 C80 124.4(18) . .
C76 C91 Gd3 75.5(15) . 6_565
C90 C91 Gd3 95.0(16) . 6_565
C80 C91 Gd3 66.3(13) . 6_565
C76 C91 Gd2 94.3(16) . .
C90 C91 Gd2 70.2(14) . .
C80 C91 Gd2 74.1(13) . .
Gd3 C91 Gd2 27.2(3) 6_565 .
C76 C91 Gd1 92.2(16) . 6_565
C90 C91 Gd1 88.5(15) . 6_565
C80 C91 Gd1 58.4(12) . 6_565
Gd3 C91 Gd1 16.76(19) 6_565 6_565
Gd2 C91 Gd1 18.67(19) . 6_565
C90 C92 C82 120.7(15) . .
C90 C92 C86 119.8(15) . .
C82 C92 C86 113.3(14) . .
C90 C92 Gd4 93.7(16) . .
C82 C92 Gd4 73.1(16) . .
C86 C92 Gd4 77.7(14) . .
C90 C92 Gd2 78.1(14) . .
C82 C92 Gd2 76.3(16) . .
C86 C92 Gd2 91.3(16) . .
Gd4 C92 Gd2 17.0(2) . .
C90 C92 Gd7 74.4(16) . .
C82 C92 Gd7 101.6(19) . .
C86 C92 Gd7 70.6(16) . .
Gd4 C92 Gd7 29.0(9) . .
Gd2 C92 Gd7 27.9(9) . .
C90 C92 Gd5 95.2(15) . .
C82 C92 Gd5 61.8(15) . .
C86 C92 Gd5 87.8(15) . .
Gd4 C92 Gd5 12.5(4) . .
Gd2 C92 Gd5 18.1(4) . .
Gd7 C92 Gd5 39.9(9) . .
C90 C92 Gd1 78.0(13) . 6_565
C82 C92 Gd1 65.8(15) . 6_565
C86 C92 Gd1 103.1(16) . 6_565
Gd4 C92 Gd1 25.6(3) . 6_565
Gd2 C92 Gd1 13.41(14) . 6_565
Gd7 C92 Gd1 41.1(9) . 6_565
Gd5 C92 Gd1 18.9(4) . 6_565
N4 Ni1 N3 89.85(12) . 6_565
N4 Ni1 N3 89.85(12) . .
N3 Ni1 N3 178.0(2) 6_565 .
N4 Ni1 N2 178.3(2) . .
N3 Ni1 N2 90.12(12) 6_565 .
N3 Ni1 N2 90.12(12) . .
C97 N2 C97 105.0(6) 6_565 .
C97 N2 Ni1 127.5(3) 6_565 .
C97 N2 Ni1 127.5(3) . .
C99 N3 C102 103.7(4) . .
C99 N3 Ni1 128.3(4) . .
C102 N3 Ni1 128.0(4) . .
C104 N4 C104 103.4(6) . 6_565
C104 N4 Ni1 128.3(3) . .
C104 N4 Ni1 128.3(3) 6_565 .
C96 C95 C112 112.7(5) . .
C96 C95 H95A 109.0 . .
C112 C95 H95A 109.0 . .
C96 C95 H95B 109.0 . .
C112 C95 H95B 109.0 . .
H95A C95 H95B 107.8 . .
C96 C96 C97 106.3(3) 6_565 .
C96 C96 C95 129.2(3) 6_565 .
C97 C96 C95 124.5(5) . .
N2 C97 C98 125.4(5) . .
N2 C97 C96 111.2(5) . .
C98 C97 C96 123.4(5) . .
C97 C98 C99 124.4(5) . .
C97 C98 H98 117.8 . .
C99 C98 H98 117.8 . .
N3 C99 C98 124.3(5) . .
N3 C99 C100 112.0(5) . .
C98 C99 C100 123.6(5) . .
C101 C100 C99 105.7(5) . .
C101 C100 C110 129.1(5) . .
C99 C100 C110 125.1(5) . .
C100 C101 C102 107.1(5) . .
C100 C101 C108 128.4(5) . .
C102 C101 C108 124.5(5) . .
N3 C102 C103 125.1(5) . .
N3 C102 C101 111.4(5) . .
C103 C102 C101 123.5(5) . .
C104 C103 C102 123.9(5) . .
C104 C103 H103 118.0 . .
C102 C103 H103 118.0 . .
C103 C104 N4 124.8(5) . .
C103 C104 C105 123.0(5) . .
N4 C104 C105 112.1(5) . .
C105 C105 C104 106.2(3) 6_565 .
C105 C105 C106 128.4(3) 6_565 .
C104 C105 C106 125.3(5) . .
C105 C106 C107 112.3(5) . .
C105 C106 H10A 109.1 . .
C107 C106 H10A 109.1 . .
C105 C106 H10B 109.1 . .
C107 C106 H10B 109.1 . .
H10A C106 H10B 107.9 . .
C106 C107 H10C 109.5 . .
C106 C107 H10D 109.5 . .
H10C C107 H10D 109.5 . .
C106 C107 H10E 109.5 . .
H10C C107 H10E 109.5 . .
H10D C107 H10E 109.5 . .
C101 C108 C109 112.7(5) . .
C101 C108 H10F 109.0 . .
C109 C108 H10F 109.0 . .
C101 C108 H10G 109.0 . .
C109 C108 H10G 109.0 . .
H10F C108 H10G 107.8 . .
C108 C109 H10H 109.5 . .
C108 C109 H10I 109.5 . .
H10H C109 H10I 109.5 . .
C108 C109 H10J 109.5 . .
H10H C109 H10J 109.5 . .
H10I C109 H10J 109.5 . .
C100 C110 C111 113.7(5) . .
C100 C110 H11A 108.8 . .
C111 C110 H11A 108.8 . .
C100 C110 H11B 108.8 . .
C111 C110 H11B 108.8 . .
H11A C110 H11B 107.7 . .
C110 C111 H11C 109.5 . .
C110 C111 H11D 109.5 . .
H11C C111 H11D 109.5 . .
C110 C111 H11E 109.5 . .
H11C C111 H11E 109.5 . .
H11D C111 H11E 109.5 . .
C95 C112 H11F 109.5 . .
C95 C112 H11G 109.5 . .
H11F C112 H11G 109.5 . .
C95 C112 H11H 109.5 . .
H11F C112 H11H 109.5 . .
H11G C112 H11H 109.5 . .
C117 C113 C114 128(2) . .
C117 C113 H11I 115.8 . .
C114 C113 H11I 115.8 . .
C115 C114 C113 114(2) . .
C115 C114 H11J 122.9 . .
C113 C114 H11J 122.9 . .
C116 C115 C114 112.1(18) . .
C116 C115 H11K 123.9 . .
C114 C115 H11K 123.9 . .
C118 C116 H11L 108.7 . .
C115 C116 H11L 108.7 . .
C113 C117 C118 118(3) . .
C113 C117 H11M 120.9 . .
C118 C117 H11M 120.9 . .
C120 C119 C124 120.0 . .
C119 C120 C121 120.0 . .
C122 C121 C120 120.0 . .
H121 C121 H131 100.8 . .
C123 C122 C121 120.0 . .
C122 C123 C124 120.0 . .
C123 C124 C119 120.0 . .
C130 C125 C126 120.0 . .
C130 C125 H125 120.0 . .
C126 C125 H125 120.0 . .
C125 C126 C127 120.0 . .
C125 C126 H126 120.0 . .
C127 C126 H126 120.0 . .
C126 C127 C128 120.0 . .
C126 C127 H127 120.0 . .
C128 C127 H127 120.0 . .
C129 C128 C127 120.0 . .
C129 C128 H128 120.0 . .
C127 C128 H128 120.0 . .
C128 C129 C130 120.0 . .
C128 C129 H129 120.0 . .
C130 C129 H129 120.0 . .
C125 C130 C129 120.0 . .
C125 C130 H130 120.0 . .
C129 C130 H130 120.0 . .
C132 C131 C136 120.0 . .
C132 C131 H131 120.0 . .
C136 C131 H131 120.0 . .
C133 C132 C131 120.0 . .
C133 C132 H132 120.0 . .
C131 C132 H132 120.0 . .
C132 C133 C134 120.0 . .
C132 C133 H133 120.0 . .
C134 C133 H133 120.0 . .
C135 C134 C133 120.0 . .
C135 C134 H134 120.0 . .
C133 C134 H134 120.0 . .
C136 C135 C134 120.0 . .
C136 C135 H135 120.0 . .
C134 C135 H135 120.0 . .
C135 C136 C131 120.0 . .
C135 C136 H136 120.0 . .
C131 C136 H136 120.0 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Gd1 C81 2.24(2) 6_565
Gd1 C80 2.31(2) 6_565
Gd1 C61 2.34(2) 6_565
Gd1 C3 2.43(2) .
Gd1 C2 2.432(19) .
Gd1 C1 2.45(3) .
Gd2 C7 2.30(6) 6_565
Gd2 C6 2.34(2) 6_565
Gd2 C92 2.40(2) .
Gd2 C94 2.427(3) .
Gd2 C81 2.46(2) .
Gd2 C82 2.48(3) .
Gd3 C93 2.231(7) .
Gd3 C80 2.32(2) 6_565
Gd3 C79 2.33(2) 6_565
Gd3 C91 2.48(3) 6_565
Gd3 C1 2.48(3) .
Gd3 C10 2.49(2) .
Gd4 C22 2.07(2) 6_565
Gd4 C21 2.17(2) 6_565
Gd4 C7 2.28(5) 6_565
Gd4 C94 2.343(6) .
Gd4 C83 2.34(3) .
Gd4 C92 2.36(3) .
Gd4 C82 2.37(3) .
Gd5 C21 2.23(3) 6_565
Gd5 C5 2.24(3) 6_565
Gd5 C83 2.28(3) .
Gd5 C62 2.29(2) .
Gd5 C94 2.341(14) .
Gd5 C61 2.34(3) .
Gd5 C81 2.40(2) .
Gd6 C93 2.02(3) .
Gd6 C78 2.21(3) .
Gd6 C12 2.34(4) 6_565
Gd6 C13 2.35(3) 6_565
Gd6 C57 2.38(3) .
Gd6 C79 2.38(3) .
Gd6 C77 2.39(3) .
Gd6 C14 2.48(3) 6_565
Gd7 C94 2.28(4) .
Gd7 C25 2.29(4) 6_565
Gd7 C8 2.30(4) 6_565
Gd7 C87 2.36(4) .
Gd7 C23 2.40(4) 6_565
Gd7 C24 2.41(4) 6_565
Gd7 C7 2.41(6) 6_565
C93 C94 1.04(2) .
C93 Gd6 2.02(3) 6_565
C93 Gd3 2.231(7) 6_565
C93 Gd7 2.44(4) 6_565
C93 Gd1 2.484(7) 6_565
C93 Gd2 2.527(5) 6_565
C93 Gd5 2.694(15) 6_565
C94 Gd7 2.28(4) 6_565
C94 Gd4 2.343(6) 6_565
C94 Gd5 2.341(14) 6_565
C94 Gd2 2.427(3) 6_565
C94 Gd1 2.526(6) 6_565
C94 Gd3 2.586(8) 6_565
C1 C6 1.415(12) .
C1 C10 1.416(12) .
C1 C2 1.419(12) .
C1 Gd2 2.58(3) 6_565
C1 Gd5 2.97(3) 6_565
C1 Gd4 3.05(3) 6_565
C2 C13 1.454(14) .
C2 C3 1.473(15) .
C2 Gd6 2.83(3) 6_565
C2 Gd2 2.985(19) 6_565
C3 C4 1.411(16) .
C3 C15 1.453(14) .
C3 Gd5 2.79(3) 6_565
C4 C18 1.339(15) .
C4 C5 1.490(15) .
C4 Gd5 2.41(3) 6_565
C4 Gd4 2.92(2) 6_565
C4 Gd2 2.98(2) 6_565
C5 C21 1.403(15) .
C5 C6 1.456(14) .
C5 Gd5 2.24(3) 6_565
C5 Gd4 2.40(2) 6_565
C5 Gd2 2.57(2) 6_565
C6 C7 1.476(15) .
C6 Gd2 2.34(2) 6_565
C6 Gd4 2.49(2) 6_565
C6 Gd5 2.54(3) 6_565
C7 C8 1.408(16) .
C7 C22 1.455(15) .
C7 Gd4 2.28(5) 6_565
C7 Gd2 2.30(6) 6_565
C7 Gd7 2.41(6) 6_565
C7 Gd5 2.71(5) 6_565
C8 C25 1.332(15) .
C8 C9 1.495(15) .
C8 Gd7 2.30(4) 6_565
C8 Gd2 2.676(18) 6_565
C8 Gd4 2.845(19) 6_565
C9 C28 1.402(15) .
C9 C10 1.453(14) .
C9 Gd7 2.74(4) 6_565
C9 Gd2 2.87(2) 6_565
C10 C11 1.477(15) .
C10 Gd2 2.80(2) 6_565
C10 Gd6 3.00(3) 6_565
C11 C12 1.404(16) .
C11 C29 1.460(14) .
C11 Gd6 2.58(3) 6_565
C12 C32 1.331(15) .
C12 C13 1.488(15) .
C12 Gd6 2.34(4) 6_565
C13 C14 1.399(15) .
C13 Gd6 2.35(3) 6_565
C14 C34 1.397(13) .
C14 C15 1.424(13) .
C14 Gd6 2.48(3) 6_565
C15 C16 1.458(14) .
C15 Gd6 2.92(3) 6_565
C16 C36 1.419(13) .
C16 C17 1.461(13) .
C17 C39 1.382(12) .
C17 C18 1.441(12) .
C18 C19 1.478(13) .
C18 Gd5 2.65(2) 6_565
C19 C20 1.397(12) .
C19 C40 1.420(12) .
C19 Gd5 2.84(2) 6_565
C20 C21 1.396(13) .
C20 C43 1.448(12) .
C20 Gd5 2.57(3) 6_565
C20 Gd4 2.644(19) 6_565
C21 C22 1.429(14) .
C21 Gd4 2.17(2) 6_565
C21 Gd5 2.23(3) 6_565
C21 Gd2 2.67(2) 6_565
C22 C23 1.453(14) .
C22 Gd4 2.07(2) 6_565
C22 Gd7 2.50(4) 6_565
C22 Gd5 2.52(3) 6_565
C22 Gd2 2.51(2) 6_565
C23 C44 1.423(13) .
C23 C24 1.465(13) .
C23 Gd7 2.40(4) 6_565
C23 Gd4 2.45(2) 6_565
C23 Gd2 2.98(2) 6_565
C23 Gd5 3.05(3) 6_565
C24 C47 1.379(13) .
C24 C25 1.444(13) .
C24 Gd7 2.41(4) 6_565
C25 C26 1.477(13) .
C25 Gd7 2.29(4) 6_565
C26 C27 1.388(12) .
C26 C48 1.419(12) .
C26 Gd7 2.77(4) 6_565
C27 C28 1.395(13) .
C27 C51 1.442(12) .
C28 C29 1.424(13) .
C28 Gd7 2.98(4) 6_565
C29 C30 1.450(14) .
C29 Gd6 2.96(3) 6_565
C30 C52 1.418(13) .
C30 C31 1.454(13) .
C31 C55 1.390(13) .
C31 C32 1.442(12) .
C31 Gd6 2.88(3) 6_565
C32 C33 1.476(13) .
C32 Gd6 2.53(3) 6_565
C33 C34 1.398(12) .
C33 C56 1.419(12) .
C33 Gd6 2.85(3) 6_565
C34 C35 1.439(12) .
C34 Gd6 2.72(3) 6_565
C35 C58 1.383(12) .
C35 C36 1.524(11) .
C36 C37 1.428(15) .
C37 C60 1.413(13) .
C37 C38 1.532(12) .
C38 C39 1.392(12) .
C38 C63 1.446(12) .
C39 C40 1.480(10) .
C40 C41 1.329(15) .
C41 C64 1.414(12) .
C41 C42 1.478(10) .
C42 C66 1.382(12) .
C42 C43 1.400(12) .
C43 C44 1.542(12) .
C43 Gd4 3.00(2) 6_565
C44 C45 1.437(16) .
C44 Gd4 2.903(19) 6_565
C44 Gd7 3.04(4) 6_565
C45 C67 1.418(13) .
C45 C46 1.541(12) .
C46 C47 1.395(12) .
C46 C70 1.440(12) .
C47 C48 1.475(11) .
C47 Gd7 2.95(4) 6_565
C48 C49 1.338(14) .
C49 C71 1.418(12) .
C49 C50 1.486(10) .
C50 C73 1.378(13) .
C50 C51 1.399(12) .
C51 C52 1.541(12) .
C52 C53 1.434(16) .
C53 C74 1.414(13) .
C53 C54 1.546(12) .
C54 C55 1.398(12) .
C54 C77 1.443(12) .
C55 C56 1.485(11) .
C56 C57 1.340(15) .
C57 C78 1.424(12) .
C57 C58 1.482(11) .
C58 C59 1.386(12) .
C59 C79 1.442(13) .
C59 C60 1.453(13) .
C59 Gd1 2.665(17) 6_565
C59 Gd3 2.681(18) 6_565
C60 C61 1.447(14) .
C60 Gd1 2.508(19) 6_565
C60 Gd3 2.925(19) 6_565
C61 C62 1.429(14) .
C61 C81 1.450(14) .
C61 Gd1 2.34(2) 6_565
C61 Gd3 2.98(2) 6_565
C62 C63 1.394(13) .
C62 C83 1.397(15) .
C62 Gd1 2.827(18) 6_565
C63 C64 1.392(12) .
C64 C65 1.481(13) .
C65 C84 1.334(15) .
C65 C66 1.443(13) .
C66 C67 1.455(13) .
C67 C68 1.448(14) .
C68 C69 1.427(14) .
C68 C85 1.448(15) .
C69 C70 1.396(13) .
C69 C87 1.402(15) .
C70 C71 1.397(12) .
C71 C72 1.480(13) .
C72 C88 1.337(15) .
C72 C73 1.444(12) .
C73 C74 1.461(13) .
C74 C75 1.460(14) .
C75 C76 1.427(14) .
C75 C89 1.453(14) .
C76 C77 1.402(13) .
C76 C91 1.408(15) .
C76 Gd3 2.52(3) 6_565
C77 C78 1.410(12) .
C77 Gd3 2.649(19) 6_565
C78 C79 1.483(13) .
C78 Gd3 2.56(2) 6_565
C79 C80 1.341(15) .
C79 Gd3 2.33(2) 6_565
C79 Gd1 2.51(2) 6_565
C80 C81 1.412(15) .
C80 C91 1.501(15) .
C80 Gd1 2.31(2) 6_565
C80 Gd3 2.32(2) 6_565
C81 C82 1.478(15) .
C81 Gd1 2.24(2) 6_565
C81 Gd3 2.70(2) 6_565
C82 C92 1.412(13) .
C82 C83 1.454(14) .
C82 Gd1 2.74(3) 6_565
C83 C84 1.494(15) .
C83 Gd1 2.98(2) 6_565
C84 C85 1.407(16) .
C85 C86 1.473(15) .
C86 C92 1.415(12) .
C86 C87 1.448(14) .
C87 C88 1.496(15) .
C88 C89 1.404(16) .
C89 C90 1.482(15) .
C90 C92 1.410(13) .
C90 C91 1.454(14) .
C90 Gd3 2.98(2) 6_565
C90 Gd1 3.04(2) 6_565
C91 Gd3 2.48(3) 6_565
C91 Gd1 2.71(3) 6_565
C92 Gd1 3.00(2) 6_565
Ni1 N4 1.958(6) .
Ni1 N3 1.960(5) 6_565
Ni1 N3 1.960(5) .
Ni1 N2 1.970(6) .
N2 C97 1.372(6) 6_565
N2 C97 1.372(6) .
N3 C99 1.376(7) .
N3 C102 1.377(7) .
N4 C104 1.383(6) .
N4 C104 1.383(6) 6_565
C95 C96 1.497(8) .
C95 C112 1.529(9) .
C95 H95A 0.9900 .
C95 H95B 0.9900 .
C96 C96 1.365(12) 6_565
C96 C97 1.449(7) .
C97 C98 1.375(8) .
C98 C99 1.389(7) .
C98 H98 0.9500 .
C99 C100 1.442(8) .
C100 C101 1.350(8) .
C100 C110 1.501(8) .
C101 C102 1.436(8) .
C101 C108 1.519(8) .
C102 C103 1.386(7) .
C103 C104 1.373(8) .
C103 H103 0.9500 .
C104 C105 1.447(7) .
C105 C105 1.365(11) 6_565
C105 C106 1.494(7) .
C106 C107 1.533(8) .
C106 H10A 0.9900 .
C106 H10B 0.9900 .
C107 H10C 0.9800 .
C107 H10D 0.9800 .
C107 H10E 0.9800 .
C108 C109 1.534(8) .
C108 H10F 0.9900 .
C108 H10G 0.9900 .
C109 H10H 0.9800 .
C109 H10I 0.9800 .
C109 H10J 0.9800 .
C110 C111 1.521(9) .
C110 H11A 0.9900 .
C110 H11B 0.9900 .
C111 H11C 0.9800 .
C111 H11D 0.9800 .
C111 H11E 0.9800 .
C112 H11F 0.9800 .
C112 H11G 0.9800 .
C112 H11H 0.9800 .
C113 C117 1.28(3) .
C113 C114 1.37(3) .
C113 H11I 0.9500 .
C114 C115 1.32(3) .
C114 H11J 0.9500 .
C115 C116 1.288(19) .
C115 H11K 0.9500 .
C116 C118 1.25(3) .
C116 H11L 0.9500 .
C117 C118 1.45(4) .
C117 H11M 0.9500 .
C118 H11N 0.9500 .
C119 C120 1.3900 .
C119 C124 1.3902 .
C119 H119 0.9499 .
C119 H136 0.9809 .
C120 C121 1.3901 .
C120 H120 0.9498 .
C120 H131 0.9580 .
C120 H136 1.4799 .
C121 C122 1.3900 .
C121 H121 0.9499 .
C121 H131 1.4727 .
C122 C123 1.3898 .
C122 H122 0.9500 .
C123 C124 1.3900 .
C123 H123 0.9499 .
C124 H124 0.9501 .
C124 H135 1.5228 .
C125 C130 1.3898 .
C125 C126 1.3899 .
C125 H125 0.9499 .
C126 C127 1.3898 .
C126 H126 0.9502 .
C127 C128 1.3900 .
C127 H127 0.9501 .
C128 C129 1.3898 .
C128 H128 0.9501 .
C129 C130 1.3901 .
C129 H129 0.9498 .
C130 H130 0.9504 .
C131 C132 1.3901 .
C131 C136 1.3902 .
C131 H131 0.9499 .
C132 C133 1.3899 .
C132 H132 0.9501 .
C133 C134 1.3900 .
C133 H123 1.3732 .
C133 H133 0.9498 .
C134 C135 1.3899 .
C134 H123 1.1465 .
C134 H124 1.2328 .
C134 H134 0.9502 .
C135 C136 1.3897 .
C135 H124 0.8916 .
C135 H135 0.9501 .
C136 H119 1.3029 .
C136 H136 0.9502 .
