#------------------------------------------------------------------------------
#$Date: 2016-03-21 18:31:43 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178815 $
#$URL: svn://www.crystallography.net/cod/cif/4/10/69/4106986.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_4106986
loop_
_publ_author_name
'Hua Yang'
'Hongxiao Jin'
'Bo Hong'
'Ziyang Liu'
'Christine M. Beavers'
'Hongyu Zhen'
'Zhimin Wang'
'Brandon Q. Mercado'
'Marilyn M. Olmstead'
'Alan L. Balch'
_publ_section_title
;
 Large Endohedral Fullerenes Containing Two Metal Ions, Sm2@D2(35)-C88,
 Sm2@C1(21)-C90, and Sm2@D3(85)-C92, and Their Relationship to Endohedral
 Fullerenes Containing Two Gadolinium Ions
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              16911
_journal_page_last               16919
_journal_paper_doi               10.1021/ja206244w
_journal_volume                  133
_journal_year                    2011
_chemical_formula_moiety         'C88 Sm2, C36 H44 N4 Ni, 2.0(C7 H8)'
_chemical_formula_sum            'C138 H60 N4 Ni Sm2'
_chemical_formula_weight         2133.31
_chemical_name_common            'Sm2@C88.Ni(OEP).2toluene D2(No. 35)'
_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                 94.469(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   25.108(5)
_cell_length_b                   15.372(3)
_cell_length_c                   20.633(4)
_cell_measurement_reflns_used    9404
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      31.3
_cell_measurement_theta_min      2.4
_cell_volume                     7939(3)
_computing_cell_refinement       'SAINT (Bruker, 2008)'
_computing_data_collection       'CrystalClear (Rigaku, 2008)'
_computing_data_reduction        'SAINT (Bruker, 2008)'
_computing_molecular_graphics    'SHELXTL 5.1 (Sheldrick, 1994)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      120(2)
_diffrn_measured_fraction_theta_full 0.967
_diffrn_measured_fraction_theta_max 0.967
_diffrn_measurement_device_type
'Rigaku Crystal-Logic Kappa diffractometer equipped with a Saturn 724+ detector'
_diffrn_measurement_method       'ω and φ'
_diffrn_radiation_monochromator  silicon
_diffrn_radiation_source         'Beamline I19, Diamond Light Source'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.68890
_diffrn_reflns_av_R_equivalents  0.0342
_diffrn_reflns_av_sigmaI/netI    0.0247
_diffrn_reflns_limit_h_max       35
_diffrn_reflns_limit_h_min       -35
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            60249
_diffrn_reflns_theta_full        29.48
_diffrn_reflns_theta_max         29.48
_diffrn_reflns_theta_min         1.78
_exptl_absorpt_coefficient_mu    1.767
_exptl_absorpt_correction_T_max  0.933
_exptl_absorpt_correction_T_min  0.872
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2008)'
_exptl_crystal_colour            block
_exptl_crystal_density_diffrn    1.785
_exptl_crystal_description       black
_exptl_crystal_F_000             4272
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.04
_refine_diff_density_max         2.632
_refine_diff_density_min         -0.799
_refine_diff_density_rms         0.097
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1332
_refine_ls_number_reflns         12105
_refine_ls_number_restraints     4072
_refine_ls_restrained_S_all      0.998
_refine_ls_R_factor_all          0.0652
_refine_ls_R_factor_gt           0.0604
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0945P)²+27.5945P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1661
_refine_ls_wR_factor_ref         0.1709
_reflns_number_gt                10949
_reflns_number_total             12105
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            ja206244w_si_001.cif
_cod_data_source_block           mn1930
_cod_original_sg_symbol_H-M      'C 2/m'
_cod_database_code               4106986
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
Sm1 Sm 0.33782(5) 0.39276(8) 0.86734(6) 0.0291(2) Uani 0.27 1 d PU . .
Sm2 Sm 0.28619(8) 0.60436(13) 0.74853(11) 0.0316(3) Uani 0.27 1 d PU . .
Sm3 Sm 0.34990(13) 0.4128(3) 0.87973(14) 0.0762(11) Uani 0.15 1 d PU . .
Sm4 Sm 0.27597(16) 0.5838(2) 0.74126(19) 0.0444(8) Uani 0.15 1 d PU . .
Sm5 Sm 0.3072(3) 0.6289(3) 0.7829(3) 0.0793(13) Uani 0.06 1 d PU . .
Sm6 Sm 0.2524(3) 0.5469(5) 0.7415(4) 0.102(3) Uani 0.05 1 d PU . .
Sm7 Sm 0.3294(5) 0.3826(8) 0.8503(5) 0.080(3) Uani 0.05 1 d PU . .
C1_1 C 0.40904(19) 0.4941(9) 0.6905(2) 0.0190(12) Uani 0.37 1 d PDU . -1
C2_1 C 0.4268(5) 0.4051(9) 0.7283(5) 0.070(4) Uani 0.37 1 d PDU . -1
C3_1 C 0.4567(4) 0.4207(7) 0.7884(5) 0.0221(15) Uani 0.37 1 d PDU . -1
C4_1 C 0.4700(2) 0.5062(7) 0.8070(4) 0.0383(15) Uani 0.37 1 d PDU . -1
C5_1 C 0.4592(6) 0.5866(9) 0.7747(4) 0.047(4) Uani 0.37 1 d PDU . -1
C6_1 C 0.4248(4) 0.5777(5) 0.7223(4) 0.0259(18) Uani 0.37 1 d PDU . -1
C7_1 C 0.3963(7) 0.6585(9) 0.7043(8) 0.048(4) Uani 0.37 1 d PDU . -1
C8_1 C 0.3552(4) 0.6504(9) 0.6534(8) 0.022(2) Uani 0.37 1 d PDU . -1
C9_1 C 0.3339(4) 0.5757(7) 0.6195(7) 0.038(3) Uani 0.37 1 d PDU . -1
C10_1 C 0.3671(2) 0.5054(8) 0.6415(3) 0.0415(17) Uani 0.37 1 d PDU . -1
C11_1 C 0.3437(4) 0.4236(8) 0.6306(6) 0.035(3) Uani 0.37 1 d PDU . -1
C12_1 C 0.3516(4) 0.3421(10) 0.6616(9) 0.037(4) Uani 0.37 1 d PDU . -1
C13_1 C 0.3922(5) 0.3316(8) 0.7075(5) 0.029(2) Uani 0.37 1 d PDU . -1
C14_1 C 0.3918(6) 0.2695(11) 0.7614(6) 0.059(4) Uani 0.37 1 d PDU . -1
C15_1 C 0.4179(5) 0.2857(10) 0.8234(6) 0.046(4) Uani 0.37 1 d PDU . -1
C16_1 C 0.4550(5) 0.3554(8) 0.8376(6) 0.037(3) Uani 0.37 1 d PDU . -1
C17_1 C 0.4534(5) 0.3759(7) 0.9039(6) 0.059(4) Uani 0.37 1 d PDU . -1
C18_1 C 0.4627(3) 0.4632(6) 0.9240(4) 0.058(3) Uani 0.37 1 d PDU . -1
C19_1 C 0.4743(3) 0.5236(5) 0.8769(4) 0.055(3) Uani 0.37 1 d PDU . -1
C20_1 C 0.4623(5) 0.6138(6) 0.8867(5) 0.052(3) Uani 0.37 1 d PDU . -1
C21_1 C 0.4503(7) 0.6543(7) 0.8232(6) 0.051(4) Uani 0.37 1 d PDU . -1
C22_1 C 0.4227(4) 0.7238(8) 0.8161(5) 0.034(3) Uani 0.37 1 d PDU . -1
C23_1 C 0.3939(5) 0.7269(10) 0.7514(5) 0.036(2) Uani 0.37 1 d PDU . -1
C24_1 C 0.3461(4) 0.7732(11) 0.7564(5) 0.049(3) Uani 0.37 1 d PDU . -1
C25_1 C 0.2975(4) 0.7628(9) 0.7139(6) 0.041(3) Uani 0.37 1 d PDU . -1
C26_1 C 0.3119(5) 0.7088(7) 0.6626(6) 0.052(3) Uani 0.37 1 d PDU . -1
C27_1 C 0.2610(4) 0.6637(8) 0.6369(6) 0.042(3) Uani 0.37 1 d PDU . -1
C28_1 C 0.2785(4) 0.5846(6) 0.6061(6) 0.0280(18) Uani 0.37 1 d PDU . -1
C29_1 C 0.2529(3) 0.5032(8) 0.6023(3) 0.0520(18) Uani 0.74 2 d SPDU . -1
C30_1 C 0.2874(4) 0.4328(6) 0.6080(7) 0.048(3) Uani 0.37 1 d PDU . -1
C31_1 C 0.2605(3) 0.3552(6) 0.6254(4) 0.0196(15) Uani 0.37 1 d PDU . -1
C32_1 C 0.2999(4) 0.2959(6) 0.6574(5) 0.037(3) Uani 0.37 1 d PDU . -1
C33_1 C 0.3021(5) 0.2430(13) 0.7057(7) 0.049(4) Uani 0.37 1 d PDU . -1
C34_1 C 0.3415(5) 0.2248(9) 0.7619(5) 0.047(3) Uani 0.37 1 d PDU . -1
C35_1 C 0.3129(2) 0.2050(4) 0.8165(3) 0.0256(13) Uani 0.37 1 d PDU . -1
C36_1 C 0.3419(3) 0.2229(5) 0.8787(5) 0.046(2) Uani 0.37 1 d PDU . -1
C37_1 C 0.3952(4) 0.2545(7) 0.8805(5) 0.0287(18) Uani 0.37 1 d PDU . -1
C38_1 C 0.4174(4) 0.3152(7) 0.9336(4) 0.046(2) Uani 0.37 1 d PDU . -1
C39_1 C 0.3844(3) 0.3465(6) 0.9823(4) 0.057(2) Uani 0.37 1 d PDU . -1
C40_1 C 0.3923(4) 0.4351(5) 1.0046(5) 0.065(3) Uani 0.37 1 d PDU . -1
C41_1 C 0.4350(2) 0.4853(7) 0.9766(3) 0.050(3) Uani 0.37 1 d PDU . -1
C42_1 C 0.4187(3) 0.5789(5) 0.9835(3) 0.047(2) Uani 0.37 1 d PDU . -1
C43_1 C 0.4320(3) 0.6415(6) 0.9387(4) 0.043(2) Uani 0.37 1 d PDU . -1
C44_1 C 0.3930(3) 0.7140(6) 0.9241(4) 0.044(2) Uani 0.37 1 d PDU . -1
C45_1 C 0.3883(5) 0.7534(11) 0.8629(4) 0.057(4) Uani 0.37 1 d PDU . -1
C46_1 C 0.3385(4) 0.7875(6) 0.8263(5) 0.057(3) Uani 0.37 1 d PDU . -1
C47_1 C 0.2948(3) 0.7752(4) 0.8617(4) 0.0446(19) Uani 0.37 1 d PDU . -1
C48_1 C 0.2501(4) 0.7623(6) 0.8161(5) 0.047(3) Uani 0.37 1 d PDU . -1
C49_1 C 0.2487(4) 0.7675(7) 0.7451(5) 0.027(2) Uani 0.37 1 d PDU . -1
C50_1 C 0.2065(7) 0.7042(12) 0.7189(4) 0.048(5) Uani 0.37 1 d PDU . -1
C51_1 C 0.2100(5) 0.6525(9) 0.6626(8) 0.040(4) Uani 0.37 1 d PDU . -1
C52_1 C 0.1815(5) 0.5716(7) 0.6500(5) 0.0259(18) Uani 0.37 1 d PDU . -1
C53_1 C 0.2034(3) 0.4915(10) 0.6226(3) 0.040(2) Uani 0.37 1 d PDU . -1
C54_1 C 0.1793(6) 0.4186(9) 0.6597(7) 0.066(5) Uani 0.37 1 d PDU . -1
C55_1 C 0.2106(5) 0.3452(9) 0.6524(8) 0.032(3) Uani 0.37 1 d PDU . -1
C56_1 C 0.2035(5) 0.2914(10) 0.7117(5) 0.022(2) Uani 0.37 1 d PDU . -1
C57_1 C 0.2500(4) 0.2440(6) 0.7284(4) 0.027(2) Uani 0.37 1 d PDU . -1
C58_1 C 0.2558(4) 0.2172(6) 0.7992(4) 0.0330(19) Uani 0.37 1 d PDU . -1
C59_1 C 0.2946(4) 0.7348(7) 0.9224(5) 0.043(3) Uani 0.37 1 d PDU . -1
C60_1 C 0.3446(3) 0.7084(7) 0.9556(4) 0.057(3) Uani 0.37 1 d PDU . -1
C61_1 C 0.3293(3) 0.6347(7) 0.9953(4) 0.047(2) Uani 0.37 1 d PDU . -1
C62_1 C 0.3674(3) 0.5803(6) 1.0095(4) 0.055(3) Uani 0.37 1 d PDU . -1
C63_1 C 0.3493(3) 0.4894(8) 1.0189(3) 0.055(2) Uani 0.37 1 d PDU . -1
C64_1 C 0.3312(3) 0.3169(6) 0.9796(4) 0.039(3) Uani 0.37 1 d PDU . -1
C65_1 C 0.3097(4) 0.2523(8) 0.9290(5) 0.047(3) Uani 0.37 1 d PDU . -1
C66_1 C 0.2534(3) 0.2697(5) 0.9100(3) 0.0328(14) Uani 0.37 1 d PDU . -1
C67_1 C 0.2276(3) 0.2512(4) 0.8483(3) 0.0285(13) Uani 0.37 1 d PDU . -1
C68_1 C 0.1849(3) 0.3046(5) 0.8284(4) 0.0297(15) Uani 0.37 1 d PDU . -1
C69_1 C 0.1714(4) 0.3219(7) 0.7606(5) 0.024(2) Uani 0.37 1 d PDU . -1
C70_1 C 0.1466(5) 0.4084(7) 0.7539(5) 0.033(2) Uani 0.37 1 d PDU . -1
C71_1 C 0.1490(6) 0.4611(10) 0.7056(6) 0.031(2) Uani 0.37 1 d PDU . -1
C72_1 C 0.1550(7) 0.5571(11) 0.7069(6) 0.050(4) Uani 0.37 1 d PDU . -1
C73_1 C 0.1534(5) 0.5909(8) 0.7722(5) 0.035(3) Uani 0.37 1 d PDU . -1
C74_1 C 0.1807(4) 0.6725(7) 0.7737(5) 0.028(2) Uani 0.37 1 d PDU . -1
C75_1 C 0.2079(3) 0.7064(5) 0.8321(3) 0.0333(17) Uani 0.37 1 d PDU . -1
C76_1 C 0.2109(3) 0.6549(5) 0.8895(3) 0.0363(15) Uani 0.37 1 d PDU . -1
C77_1 C 0.2521(4) 0.6737(7) 0.9373(5) 0.033(2) Uani 0.37 1 d PDU . -1
C78_1 C 0.2725(4) 0.6089(7) 0.9819(7) 0.048(3) Uani 0.37 1 d PDU . -1
C79_1 C 0.2558(3) 0.5253(6) 0.9789(3) 0.047(2) Uani 0.37 1 d PDU . -1
C80_1 C 0.2950(3) 0.4596(6) 1.0047(3) 0.0422(17) Uani 0.37 1 d PDU . -1
C81_1 C 0.2855(4) 0.3715(7) 0.9857(6) 0.042(2) Uani 0.37 1 d PDU . -1
C82_1 C 0.2400(4) 0.3447(7) 0.9441(5) 0.036(2) Uani 0.37 1 d PDU . -1
C83_1 C 0.2031(3) 0.4094(6) 0.9189(4) 0.0354(15) Uani 0.37 1 d PDU . -1
C84_1 C 0.1718(2) 0.3833(5) 0.8637(4) 0.0343(17) Uani 0.37 1 d PDU . -1
C85_1 C 0.1496(5) 0.4470(7) 0.8195(5) 0.032(2) Uani 0.37 1 d PDU . -1
C86_1 C 0.1536(8) 0.5339(8) 0.8296(6) 0.058(5) Uani 0.37 1 d PDU . -1
C87_1 C 0.1853(3) 0.5694(7) 0.8834(4) 0.0398(17) Uani 0.37 1 d PDU . -1
C88_1 C 0.2124(2) 0.5014(9) 0.9341(3) 0.0354(12) Uani 0.74 2 d SPDU . -1
C1_2 C 0.1898(2) 0.5478(4) 0.8948(3) 0.014(3) Uiso 0.13 1 d PGU . -2
C2_2 C 0.2084(2) 0.4703(4) 0.9308(3) 0.026(5) Uiso 0.13 1 d PGU . -2
C3_2 C 0.2023(2) 0.3833(4) 0.9127(3) 0.068(9) Uiso 0.13 1 d PGU . -2
C4_2 C 0.1732(2) 0.3789(4) 0.8513(3) 0.055(8) Uiso 0.13 1 d PGU . -2
C5_2 C 0.15125(18) 0.4488(4) 0.8105(3) 0.042(8) Uiso 0.13 1 d PGU . -2
C6_2 C 0.16076(19) 0.5335(4) 0.8302(3) 0.018(4) Uiso 0.13 1 d PGU . -2
C7_2 C 0.1579(2) 0.5917(4) 0.7726(3) 0.046(9) Uiso 0.13 1 d PGU . -2
C8_2 C 0.1776(2) 0.6738(4) 0.7969(4) 0.053(7) Uiso 0.13 1 d PGU . -2
C9_2 C 0.2073(3) 0.7053(4) 0.8544(4) 0.067(8) Uiso 0.13 1 d PGU . -2
C10_2 C 0.2059(2) 0.6345(4) 0.8989(3) 0.047(7) Uiso 0.13 1 d PGU . -2
C11_2 C 0.2453(3) 0.6415(4) 0.9512(3) 0.052(8) Uiso 0.13 1 d PGU . -2
C12_2 C 0.2728(3) 0.5769(5) 0.9916(2) 0.048(6) Uiso 0.13 1 d PGU . -2
C13_2 C 0.2502(3) 0.4951(5) 0.9826(2) 0.057(7) Uiso 0.13 1 d PGU . -2
C14_2 C 0.2921(3) 0.4295(5) 1.0005(2) 0.049(7) Uiso 0.13 1 d PGU . -2
C15_2 C 0.2850(3) 0.3443(4) 0.9722(2) 0.064(8) Uiso 0.13 1 d PGU . -2
C16_2 C 0.2397(3) 0.3148(4) 0.9298(3) 0.050(9) Uiso 0.13 1 d PGU . -2
C17_2 C 0.2543(3) 0.2525(4) 0.8862(3) 0.055(7) Uiso 0.13 1 d PGU . -2
C18_2 C 0.2282(2) 0.2499(4) 0.8223(3) 0.054(8) Uiso 0.13 1 d PGU . -2
C19_2 C 0.1863(2) 0.3080(4) 0.8088(3) 0.041(6) Uiso 0.13 1 d PGU . -2
C20_2 C 0.1736(2) 0.3337(4) 0.7425(3) 0.041(7) Uiso 0.13 1 d PGU . -2
C21_2 C 0.15018(18) 0.4207(4) 0.7426(3) 0.055(8) Uiso 0.13 1 d PGU . -2
C22_2 C 0.1520(2) 0.4646(5) 0.6905(3) 0.039(7) Uiso 0.13 1 d PGU . -2
C23_2 C 0.1502(2) 0.5563(5) 0.7083(3) 0.024(6) Uiso 0.13 1 d PGU . -2
C24_2 C 0.1813(3) 0.6026(5) 0.6646(3) 0.052(7) Uiso 0.13 1 d PGU . -2
C25_2 C 0.2090(3) 0.6814(4) 0.6783(3) 0.091(10) Uiso 0.13 1 d PGU . -2
C26_2 C 0.1994(3) 0.7163(4) 0.7418(4) 0.075(8) Uiso 0.13 1 d PGU . -2
C27_2 C 0.2458(3) 0.7708(3) 0.7682(4) 0.064(9) Uiso 0.13 1 d PGU . -2
C28_2 C 0.2451(3) 0.7651(3) 0.8391(4) 0.035(6) Uiso 0.13 1 d PGU . -2
C29_2 C 0.2886(3) 0.7659(3) 0.8872(4) 0.033(4) Uiso 0.13 1 d PGU . -2
C30_2 C 0.2818(3) 0.7119(4) 0.9399(3) 0.057(7) Uiso 0.13 1 d PGU . -2
C31_2 C 0.3322(3) 0.6921(4) 0.9734(3) 0.041(8) Uiso 0.13 1 d PGU . -2
C32_2 C 0.3270(3) 0.6099(5) 1.0083(3) 0.051(7) Uiso 0.13 1 d PGU . -2
C33_2 C 0.3593(3) 0.5459(5) 1.0202(2) 0.031(5) Uiso 0.13 1 d PGU . -2
C34_2 C 0.3469(3) 0.4522(5) 1.0182(2) 0.045(6) Uiso 0.13 1 d PGU . -2
C35_2 C 0.3927(3) 0.4066(5) 0.9971(3) 0.048(6) Uiso 0.13 1 d PGU . -2
C36_2 C 0.3836(3) 0.3256(4) 0.9662(3) 0.085(9) Uiso 0.13 1 d PGU . -2
C37_2 C 0.3301(3) 0.2889(4) 0.9582(3) 0.052(7) Uiso 0.13 1 d PGU . -2
C38_2 C 0.3112(3) 0.2325(4) 0.9015(3) 0.037(5) Uiso 0.13 1 d PGU . -2
C39_2 C 0.3445(3) 0.2163(3) 0.8490(3) 0.024(4) Uiso 0.13 1 d PGU . -2
C40_2 C 0.3192(3) 0.2129(3) 0.7857(3) 0.023(3) Uiso 0.13 1 d PGU . -2
C41_2 C 0.2616(3) 0.2224(3) 0.7769(3) 0.019(4) Uiso 0.13 1 d PGU . -2
C42_2 C 0.2502(2) 0.2559(4) 0.7079(3) 0.032(5) Uiso 0.13 1 d PGU . -2
C43_2 C 0.2069(2) 0.3098(4) 0.6920(3) 0.052(8) Uiso 0.13 1 d PGU . -2
C44_2 C 0.2146(3) 0.3750(4) 0.6414(3) 0.067(8) Uiso 0.13 1 d PGU . -2
C45_2 C 0.1869(2) 0.4529(5) 0.6404(3) 0.074(10) Uiso 0.13 1 d PGU . -2
C46_2 C 0.2062(3) 0.5428(5) 0.6221(3) 0.069(8) Uiso 0.13 1 d PGU . -2
C47_2 C 0.2568(3) 0.5397(5) 0.6020(2) 0.045(6) Uiso 0.13 1 d PGU . -2
C48_2 C 0.2836(3) 0.6194(5) 0.6184(3) 0.062(8) Uiso 0.13 1 d PGU . -2
C49_2 C 0.2589(3) 0.6939(4) 0.6500(3) 0.086(9) Uiso 0.13 1 d PGU . -2
C50_2 C 0.3031(3) 0.7392(4) 0.6891(3) 0.085(12) Uiso 0.13 1 d PGU . -2
C51_2 C 0.3000(3) 0.7819(3) 0.7515(4) 0.090(9) Uiso 0.13 1 d PGU . -2
C52_2 C 0.3422(3) 0.7923(3) 0.8005(4) 0.078(9) Uiso 0.13 1 d PGU . -2
C53_2 C 0.3387(3) 0.7812(3) 0.8698(4) 0.056(9) Uiso 0.13 1 d PGU . -2
C54_2 C 0.3917(3) 0.7403(4) 0.8953(4) 0.050(9) Uiso 0.13 1 d PGU . -2
C55_2 C 0.3851(3) 0.6998(4) 0.9539(3) 0.072(8) Uiso 0.13 1 d PGU . -2
C56_2 C 0.4255(3) 0.6304(5) 0.9576(3) 0.039(6) Uiso 0.13 1 d PGU . -2
C57_2 C 0.4091(3) 0.5622(5) 0.9949(3) 0.058(8) Uiso 0.13 1 d PGU . -2
C58_2 C 0.4305(3) 0.4718(5) 0.9809(3) 0.060(7) Uiso 0.13 1 d PGU . -2
C59_2 C 0.2875(3) 0.4642(5) 0.6000(2) 0.086(9) Uiso 0.13 1 d PGU . -2
C60_2 C 0.2659(3) 0.3812(5) 0.6164(2) 0.029(5) Uiso 0.13 1 d PGU . -2
C61_2 C 0.3115(3) 0.3289(4) 0.6420(2) 0.033(4) Uiso 0.13 1 d PGU . -2
C62_2 C 0.3008(3) 0.2683(4) 0.6818(3) 0.028(5) Uiso 0.13 1 d PGU . -2
C63_2 C 0.3444(2) 0.2477(4) 0.7313(3) 0.027(4) Uiso 0.13 1 d PGU . -2
C64_2 C 0.3970(2) 0.2538(4) 0.8565(3) 0.046(8) Uiso 0.13 1 d PGU . -2
C65_2 C 0.4170(2) 0.3056(4) 0.9148(3) 0.055(7) Uiso 0.13 1 d PGU . -2
C66_2 C 0.4530(2) 0.3745(5) 0.8949(3) 0.050(7) Uiso 0.13 1 d PGU . -2
C67_2 C 0.4600(2) 0.4552(5) 0.9281(3) 0.071(9) Uiso 0.13 1 d PGU . -2
C68_2 C 0.4733(2) 0.5259(5) 0.8903(4) 0.058(8) Uiso 0.13 1 d PGU . -2
C69_2 C 0.4580(2) 0.6130(5) 0.9056(4) 0.065(9) Uiso 0.13 1 d PGU . -2
C70_2 C 0.4499(2) 0.6659(4) 0.8464(4) 0.067(9) Uiso 0.13 1 d PGU . -2
C71_2 C 0.4178(3) 0.7306(4) 0.8373(4) 0.068(9) Uiso 0.13 1 d PGU . -2
C72_2 C 0.3877(3) 0.7518(4) 0.7752(4) 0.088(9) Uiso 0.13 1 d PGU . -2
C73_2 C 0.3989(3) 0.6931(4) 0.7231(4) 0.095(11) Uiso 0.13 1 d PGU . -2
C74_2 C 0.3523(3) 0.6942(4) 0.6772(3) 0.077(8) Uiso 0.13 1 d PGU . -2
C75_2 C 0.3384(3) 0.6202(5) 0.6358(3) 0.048(6) Uiso 0.13 1 d PGU . -2
C76_2 C 0.3697(3) 0.5429(5) 0.6440(3) 0.036(5) Uiso 0.13 1 d PGU . -2
C77_2 C 0.3444(3) 0.4656(5) 0.6210(2) 0.080(9) Uiso 0.13 1 d PGU . -2
C78_2 C 0.3605(3) 0.3819(5) 0.6483(3) 0.038(5) Uiso 0.13 1 d PGU . -2
C79_2 C 0.3992(2) 0.3758(4) 0.6996(3) 0.078(9) Uiso 0.13 1 d PGU . -2
C80_2 C 0.3934(2) 0.2977(4) 0.7410(3) 0.099(11) Uiso 0.13 1 d PGU . -2
C81_2 C 0.4212(2) 0.3000(4) 0.8047(3) 0.065(9) Uiso 0.13 1 d PGU . -2
C82_2 C 0.45320(19) 0.3732(4) 0.8279(3) 0.054(8) Uiso 0.13 1 d PGU . -2
C83_2 C 0.45630(18) 0.4464(5) 0.7858(3) 0.073(10) Uiso 0.13 1 d PGU . -2
C84_2 C 0.47207(18) 0.5224(5) 0.8196(4) 0.041(6) Uiso 0.13 1 d PGU . -2
C85_2 C 0.4576(2) 0.6067(5) 0.7923(4) 0.069(9) Uiso 0.13 1 d PGU . -2
C86_2 C 0.4322(2) 0.6134(5) 0.7304(4) 0.075(10) Uiso 0.13 1 d PGU . -2
C87_2 C 0.4138(2) 0.5391(5) 0.6960(3) 0.067(8) Uiso 0.13 1 d PGU . -2
C88_2 C 0.4262(2) 0.4515(5) 0.7209(3) 0.067(8) Uiso 0.13 1 d PGU . -2
Ni1 Ni 0.480588(13) 0.5000 0.581780(16) 0.01433(9) Uani 1 2 d SU . .
N1 N 0.53619(9) 0.5000 0.65351(11) 0.0167(4) Uani 1 2 d SU . .
N2 N 0.47953(6) 0.37239(12) 0.58296(8) 0.0171(3) Uani 1 1 d U . .
N3 N 0.42383(9) 0.5000 0.51132(11) 0.0167(4) Uani 1 2 d SU . .
C95 C 0.59860(7) 0.45613(15) 0.73660(9) 0.0212(4) Uani 1 1 d U . .
C96 C 0.56012(7) 0.42954(14) 0.68467(9) 0.0192(3) Uani 1 1 d U . .
C97 C 0.54896(8) 0.34375(14) 0.66988(10) 0.0207(4) Uani 1 1 d U . .
H97 H 0.5689 0.3002 0.6937 0.025 Uiso 1 1 calc R . .
C98 C 0.51064(8) 0.31740(14) 0.62260(9) 0.0193(3) Uani 1 1 d U . .
C99 C 0.49804(8) 0.22725(14) 0.60882(10) 0.0226(4) Uani 1 1 d U . .
C100 C 0.45852(8) 0.22723(14) 0.55988(10) 0.0217(4) Uani 1 1 d U . .
C101 C 0.44777(7) 0.31755(13) 0.54416(9) 0.0185(3) Uani 1 1 d U . .
C102 C 0.40989(7) 0.34396(14) 0.49632(9) 0.0195(3) Uani 1 1 d U . .
H102 H 0.3906 0.3004 0.4717 0.023 Uiso 1 1 calc R . .
C103 C 0.39834(7) 0.42932(13) 0.48217(9) 0.0177(3) Uani 1 1 d U . .
C104 C 0.35607(7) 0.45589(14) 0.43459(9) 0.0195(4) Uani 1 1 d U . .
C105 C 0.62936(9) 0.39509(16) 0.78243(11) 0.0262(4) Uani 1 1 d U . .
H10A H 0.6601 0.4267 0.8043 0.031 Uiso 1 1 calc R . .
H10B H 0.6437 0.3469 0.7571 0.031 Uiso 1 1 calc R . .
C106 C 0.59578(10) 0.35693(19) 0.83405(11) 0.0333(5) Uani 1 1 d U . .
H10C H 0.5800 0.4042 0.8580 0.050 Uiso 1 1 calc R . .
H10D H 0.6185 0.3213 0.8643 0.050 Uiso 1 1 calc R . .
H10E H 0.5673 0.3208 0.8130 0.050 Uiso 1 1 calc R . .
C107 C 0.52418(10) 0.15110(16) 0.64434(12) 0.0297(5) Uani 1 1 d U . .
H10F H 0.5631 0.1616 0.6505 0.036 Uiso 1 1 calc R . .
H10G H 0.5185 0.0983 0.6173 0.036 Uiso 1 1 calc R . .
C108 C 0.50285(14) 0.1349(2) 0.71024(16) 0.0472(7) Uani 1 1 d U . .
H10H H 0.5214 0.0849 0.7311 0.071 Uiso 1 1 calc R . .
H10I H 0.4645 0.1228 0.7044 0.071 Uiso 1 1 calc R . .
H10J H 0.5090 0.1865 0.7377 0.071 Uiso 1 1 calc R . .
C109 C 0.42986(9) 0.15156(16) 0.52716(12) 0.0280(4) Uani 1 1 d U . .
H10K H 0.4510 0.0980 0.5366 0.034 Uiso 1 1 calc R . .
H10L H 0.4274 0.1608 0.4795 0.034 Uiso 1 1 calc R . .
C110 C 0.37366(11) 0.1386(2) 0.54917(16) 0.0406(6) Uani 1 1 d U . .
H11A H 0.3575 0.0869 0.5280 0.061 Uiso 1 1 calc R . .
H11B H 0.3518 0.1897 0.5372 0.061 Uiso 1 1 calc R . .
H11C H 0.3757 0.1309 0.5964 0.061 Uiso 1 1 calc R . .
C111 C 0.31779(8) 0.39502(15) 0.39853(10) 0.0241(4) Uani 1 1 d U . .
H11D H 0.3374 0.3432 0.3848 0.029 Uiso 1 1 calc R . .
H11E H 0.3018 0.4242 0.3589 0.029 Uiso 1 1 calc R . .
C112 C 0.27332(9) 0.36633(19) 0.44062(12) 0.0319(5) Uani 1 1 d U . .
H11F H 0.2484 0.3282 0.4152 0.048 Uiso 1 1 calc R . .
H11G H 0.2542 0.4176 0.4548 0.048 Uiso 1 1 calc R . .
H11H H 0.2890 0.3348 0.4788 0.048 Uiso 1 1 calc R . .
C113 C 0.4567(2) -0.0487(4) 1.0766(3) 0.0455(14) Uani 0.50 1 d PDU A -1
C114 C 0.4829(2) 0.0100(9) 1.1205(3) 0.056(2) Uani 0.50 1 d PDU A -1
H114 H 0.5039 -0.0126 1.1570 0.068 Uiso 0.50 1 calc PR A -1
C115 C 0.4796(4) 0.0976(6) 1.1129(4) 0.067(2) Uani 0.50 1 d PDU A -1
H115 H 0.4988 0.1343 1.1435 0.081 Uiso 0.50 1 calc PR A -1
C116 C 0.4490(5) 0.1346(7) 1.0615(5) 0.060(2) Uani 0.50 1 d PDU A -1
H116 H 0.4460 0.1959 1.0566 0.072 Uiso 0.50 1 calc PR A -1
C117 C 0.4227(3) 0.0777(5) 1.0175(4) 0.0528(16) Uani 0.50 1 d PDU A -1
H117 H 0.4018 0.1007 0.9812 0.063 Uiso 0.50 1 calc PR A -1
C118 C 0.4263(2) -0.0118(9) 1.0251(3) 0.045(2) Uani 0.50 1 d PDU A -1
H118 H 0.4074 -0.0485 0.9941 0.054 Uiso 0.50 1 calc PR A -1
C119 C 0.4607(5) -0.1442(8) 1.0837(6) 0.070(3) Uani 0.50 1 d PDU A -1
H11I H 0.4393 -0.1723 1.0479 0.105 Uiso 0.50 1 calc PR A -1
H11J H 0.4473 -0.1616 1.1252 0.105 Uiso 0.50 1 calc PR A -1
H11K H 0.4981 -0.1620 1.0829 0.105 Uiso 0.50 1 calc PR A -1
C120 C 0.3099(3) -0.002(2) 0.8134(4) 0.0311(18) Uani 0.20 1 d PDU B -2
C121 C 0.2847(4) 0.002(3) 0.7508(5) 0.0318(19) Uani 0.20 1 d PDU B -2
H121 H 0.2468 0.0015 0.7454 0.038 Uiso 0.20 1 calc PR B -2
C122 C 0.3131(6) 0.006(3) 0.6970(7) 0.037(5) Uani 0.20 1 d PDU B -2
H122 H 0.2947 0.0086 0.6550 0.044 Uiso 0.20 1 calc PR B -2
C123 C 0.3683(4) 0.006(3) 0.7031(5) 0.035(4) Uani 0.20 1 d PDU B -2
H123 H 0.3883 0.0057 0.6658 0.043 Uiso 0.20 1 calc PR B -2
C124 C 0.3938(4) 0.005(3) 0.7658(5) 0.037(4) Uani 0.20 1 d PDU B -2
H124 H 0.4316 0.0100 0.7712 0.045 Uiso 0.20 1 calc PR B -2
C125 C 0.3653(3) -0.002(5) 0.8194(6) 0.027(2) Uani 0.20 1 d PDU B -2
H125 H 0.3837 -0.0072 0.8612 0.033 Uiso 0.20 1 calc PR B -2
C126 C 0.2807(7) -0.005(4) 0.8723(7) 0.043(5) Uani 0.20 1 d PDU B -2
H12A H 0.3059 -0.0047 0.9111 0.064 Uiso 0.20 1 d PR B -2
H12B H 0.2624 -0.0611 0.8689 0.064 Uiso 0.20 1 d PR B -2
H12C H 0.2550 0.0422 0.8757 0.064 Uiso 0.20 1 d PR B -2
C127 C 0.3224(2) 0.002(4) 0.7523(2) 0.0199(15) Uani 0.30 1 d PDU C -3
C128 C 0.3707(2) 0.000(5) 0.7911(3) 0.0208(10) Uani 0.30 1 d PDU C -3
H128 H 0.4035 0.0016 0.7712 0.025 Uiso 0.30 1 calc PR C -3
C129 C 0.3712(2) -0.004(4) 0.8580(3) 0.024(3) Uani 0.30 1 d PDU C -3
H129 H 0.4043 -0.0049 0.8837 0.029 Uiso 0.30 1 calc PR C -3
C130 C 0.3235(2) -0.005(3) 0.8880(3) 0.023(3) Uani 0.30 1 d PDU C -3
H130 H 0.3239 -0.0063 0.9340 0.027 Uiso 0.30 1 calc PR C -3
C131 C 0.2754(3) -0.005(3) 0.8504(4) 0.024(3) Uani 0.30 1 d PDU C -3
H131 H 0.2427 -0.0093 0.8705 0.029 Uiso 0.30 1 calc PR C -3
C132 C 0.2750(2) 0.000(5) 0.7835(3) 0.0235(10) Uani 0.30 1 d PDU C -3
H132 H 0.2418 0.0032 0.7582 0.028 Uiso 0.30 1 calc PR C -3
C133 C 0.3210(4) 0.0093(16) 0.6806(4) 0.025(4) Uani 0.30 1 d PDU C -3
H13A H 0.2842 0.0105 0.6619 0.038 Uiso 0.30 1 d PR C -3
H13B H 0.3391 -0.0405 0.6629 0.038 Uiso 0.30 1 d PR C -3
H13C H 0.3384 0.0637 0.6697 0.038 Uiso 0.30 1 d PR C -3
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C -0.0020 0.0015 '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 -0.0030 0.0031 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sm Sm -0.2637 3.2800 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni 0.2326 1.0569 '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
C60_1 Sm1 C44_1 34.6(2) 6_565 6_565
C60_1 Sm1 C37_2 8.6(3) 6_565 .
C44_1 Sm1 C37_2 42.7(3) 6_565 .
C60_1 Sm1 C36_2 26.3(3) 6_565 .
C44_1 Sm1 C36_2 26.0(3) 6_565 .
C37_2 Sm1 C36_2 34.02(7) . .
C60_1 Sm1 C54_2 44.4(3) 6_565 6_565
C44_1 Sm1 C54_2 16.7(3) 6_565 6_565
C37_2 Sm1 C54_2 51.00(7) . 6_565
C36_2 Sm1 C54_2 42.49(14) . 6_565
C60_1 Sm1 C55_2 24.1(3) 6_565 6_565
C44_1 Sm1 C55_2 16.1(3) 6_565 6_565
C37_2 Sm1 C55_2 32.63(8) . 6_565
C36_2 Sm1 C55_2 10.8(2) . 6_565
C54_2 Sm1 C55_2 32.05(11) 6_565 6_565
C60_1 Sm1 C65_2 49.7(3) 6_565 .
C44_1 Sm1 C65_2 16.4(3) 6_565 .
C37_2 Sm1 C65_2 58.14(11) . .
C36_2 Sm1 C65_2 33.27(6) . .
C54_2 Sm1 C65_2 23.22(18) 6_565 .
C55_2 Sm1 C65_2 27.1 6_565 .
C60_1 Sm1 C59_1 33.7(2) 6_565 6_565
C44_1 Sm1 C59_1 60.3(3) 6_565 6_565
C37_2 Sm1 C59_1 26.9(3) . 6_565
C36_2 Sm1 C59_1 60.0(3) . 6_565
C54_2 Sm1 C59_1 60.6(3) 6_565 6_565
C55_2 Sm1 C59_1 56.0(3) 6_565 6_565
C65_2 Sm1 C59_1 76.7(3) . 6_565
C60_1 Sm1 C31_2 12.4(3) 6_565 6_565
C44_1 Sm1 C31_2 45.6(2) 6_565 6_565
C37_2 Sm1 C31_2 9.6(2) . 6_565
C36_2 Sm1 C31_2 30.68(7) . 6_565
C54_2 Sm1 C31_2 56.64(16) 6_565 6_565
C55_2 Sm1 C31_2 32.59(9) 6_565 6_565
C65_2 Sm1 C31_2 59.58(10) . 6_565
C59_1 Sm1 C31_2 34.3(2) 6_565 6_565
C60_1 Sm1 C37_1 51.3(3) 6_565 .
C44_1 Sm1 C37_1 23.5(3) 6_565 .
C37_2 Sm1 C37_1 57.6(3) . .
C36_2 Sm1 C37_1 49.5(3) . .
C54_2 Sm1 C37_1 7.3(3) 6_565 .
C55_2 Sm1 C37_1 39.2(3) 6_565 .
C65_2 Sm1 C37_1 26.4(3) . .
C59_1 Sm1 C37_1 64.6(3) 6_565 .
C31_2 Sm1 C37_1 63.6(3) 6_565 .
C60_1 Sm1 C45_1 57.0(3) 6_565 6_565
C44_1 Sm1 C45_1 32.3(2) 6_565 6_565
C37_2 Sm1 C45_1 62.3(3) . 6_565
C36_2 Sm1 C45_1 58.1(2) . 6_565
C54_2 Sm1 C45_1 15.6(2) 6_565 6_565
C55_2 Sm1 C45_1 47.6(2) 6_565 6_565
C65_2 Sm1 C45_1 35.0(3) . 6_565
C59_1 Sm1 C45_1 64.8(3) 6_565 6_565
C31_2 Sm1 C45_1 69.3(3) 6_565 6_565
C37_1 Sm1 C45_1 9.1(3) . 6_565
C62_2 Sm2 C42_2 34.01(10) 6_565 6_565
C62_2 Sm2 C50_2 4.54(14) 6_565 .
C42_2 Sm2 C50_2 33.5 6_565 .
C62_2 Sm2 C32_1 15.4(2) 6_565 6_565
C42_2 Sm2 C32_1 42.8(3) 6_565 6_565
C50_2 Sm2 C32_1 19.8(3) . 6_565
C62_2 Sm2 Sm6 141.9(3) 6_565 6_565
C42_2 Sm2 Sm6 133.4(2) 6_565 6_565
C50_2 Sm2 Sm6 146.5(3) . 6_565
C32_1 Sm2 Sm6 127.3(3) 6_565 6_565
C62_2 Sm2 C49_2 31.14(12) 6_565 .
C42_2 Sm2 C49_2 34.06(13) 6_565 .
C50_2 Sm2 C49_2 34.96(7) . .
C32_1 Sm2 C49_2 24.1(3) 6_565 .
C62_2 Sm2 C27_1 39.5(3) 6_565 .
C42_2 Sm2 C27_1 46.3(3) 6_565 .
C50_2 Sm2 C27_1 43.8(3) . .
C32_1 Sm2 C27_1 28.0(4) 6_565 .
C49_2 Sm2 C27_1 12.4(3) . .
C62_2 Sm2 C26_1 14.1(2) 6_565 .
C42_2 Sm2 C26_1 46.2(3) 6_565 .
C50_2 Sm2 C26_1 17.7(3) . .
C32_1 Sm2 C26_1 7.3(4) 6_565 .
C49_2 Sm2 C26_1 31.3(3) . .
C27_1 Sm2 C26_1 35.1(3) . .
C62_2 Sm2 C57_1 40.0(3) 6_565 6_565
C42_2 Sm2 C57_1 10.5(3) 6_565 6_565
C50_2 Sm2 C57_1 38.3(3) . 6_565
C32_1 Sm2 C57_1 51.1(3) 6_565 6_565
C49_2 Sm2 C57_1 44.6(3) . 6_565
C27_1 Sm2 C57_1 56.8(3) . 6_565
C26_1 Sm2 C57_1 53.4(3) . 6_565
C36_2 Sm3 C44_1 27.0(3) . 6_565
C36_2 Sm3 C65_2 35.04(8) . .
C44_1 Sm3 C65_2 17.1(3) 6_565 .
C36_2 Sm3 C55_2 11.1(2) . 6_565
C44_1 Sm3 C55_2 16.5(3) 6_565 6_565
C65_2 Sm3 C55_2 28.18(5) . 6_565
C36_2 Sm3 C60_1 26.9(3) . 6_565
C44_1 Sm3 C60_1 34.3(2) 6_565 6_565
C65_2 Sm3 C60_1 50.4(3) . 6_565
C55_2 Sm3 C60_1 24.4(3) 6_565 6_565
C36_2 Sm3 C39_1 10.8(3) . .
C44_1 Sm3 C39_1 37.4(3) 6_565 .
C65_2 Sm3 C39_1 43.0(3) . .
C55_2 Sm3 C39_1 21.8(3) 6_565 .
C60_1 Sm3 C39_1 33.0(3) 6_565 .
C36_2 Sm3 C43_1 35.6(3) . 6_565
C44_1 Sm3 C43_1 36.1(3) 6_565 6_565
C65_2 Sm3 C43_1 23.8(3) . 6_565
C55_2 Sm3 C43_1 36.5(3) 6_565 6_565
C60_1 Sm3 C43_1 60.6(3) 6_565 6_565
C39_1 Sm3 C43_1 37.2(3) . 6_565
C36_2 Sm3 C38_1 27.2(3) . .
C44_1 Sm3 C38_1 18.2(3) 6_565 .
C65_2 Sm3 C38_1 9.7(3) . .
C55_2 Sm3 C38_1 22.8(3) 6_565 .
C60_1 Sm3 C38_1 46.8(3) 6_565 .
C39_1 Sm3 C38_1 34.0(2) . .
C43_1 Sm3 C38_1 17.9(3) 6_565 .
C36_2 Sm3 C56_2 30.5(2) . 6_565
C44_1 Sm3 C56_2 39.5(3) 6_565 6_565
C65_2 Sm3 C56_2 31.4(3) . 6_565
C55_2 Sm3 C56_2 34.80(12) 6_565 6_565
C60_1 Sm3 C56_2 57.2(3) 6_565 6_565
C39_1 Sm3 C56_2 29.1(3) . 6_565
C43_1 Sm3 C56_2 10.8(3) 6_565 6_565
C38_1 Sm3 C56_2 23.0(3) . 6_565
C36_2 Sm3 C35_2 32.91(7) . .
C44_1 Sm3 C35_2 57.5(3) 6_565 .
C65_2 Sm3 C35_2 57.64(12) . .
C55_2 Sm3 C35_2 43.7(3) 6_565 .
C60_1 Sm3 C35_2 53.7(3) 6_565 .
C39_1 Sm3 C35_2 22.6(3) . .
C43_1 Sm3 C35_2 41.3(3) 6_565 .
C38_1 Sm3 C35_2 48.0(3) . .
C56_2 Sm3 C35_2 30.47(14) 6_565 .
C51_1 Sm4 C27_1 33.7(3) . .
C51_1 Sm4 C25_2 12.6(3) . .
C27_1 Sm4 C25_2 38.1(3) . .
C51_1 Sm4 C43_2 19.4(3) . 6_565
C27_1 Sm4 C43_2 44.1(3) . 6_565
C25_2 Sm4 C43_2 7.28(11) . 6_565
C51_1 Sm4 C49_2 33.0(3) . .
C27_1 Sm4 C49_2 12.3(3) . .
C25_2 Sm4 C49_2 32.86(8) . .
C43_2 Sm4 C49_2 37.30(9) 6_565 .
C51_1 Sm4 C44_2 14.1(3) . 6_565
C27_1 Sm4 C44_2 30.3(3) . 6_565
C25_2 Sm4 C44_2 26.5(3) . 6_565
C43_2 Sm4 C44_2 33.56(13) 6_565 6_565
C49_2 Sm4 C44_2 35.1(3) . 6_565
C51_1 Sm4 C50_1 32.7(3) . .
C27_1 Sm4 C50_1 55.3(3) . .
C25_2 Sm4 C50_1 20.7(2) . .
C43_2 Sm4 C50_1 13.4(2) 6_565 .
C49_2 Sm4 C50_1 46.6(3) . .
C44_2 Sm4 C50_1 46.8(2) 6_565 .
C51_1 Sm4 C31_1 35.5(4) . 6_565
C27_1 Sm4 C31_1 8.3(3) . 6_565
C25_2 Sm4 C31_1 42.3(2) . 6_565
C43_2 Sm4 C31_1 49.0(2) 6_565 6_565
C49_2 Sm4 C31_1 20.6(3) . 6_565
C44_2 Sm4 C31_1 28.5(2) 6_565 6_565
C50_1 Sm4 C31_1 61.1(3) . 6_565
C51_1 Sm4 Sm4 115.4(3) . 6_565
C27_1 Sm4 Sm4 119.7(2) . 6_565
C25_2 Sm4 Sm4 126.29(19) . 6_565
C43_2 Sm4 Sm4 130.13(14) 6_565 6_565
C49_2 Sm4 Sm4 131.72(19) . 6_565
C44_2 Sm4 Sm4 104.37(16) 6_565 6_565
C50_1 Sm4 Sm4 136.3(3) . 6_565
C31_1 Sm4 Sm4 111.4(2) 6_565 6_565
C63_2 Sm5 C51_2 31.19(12) 6_565 .
C63_2 Sm5 C40_2 34.40(12) 6_565 6_565
C51_2 Sm5 C40_2 19.4 . 6_565
C63_2 Sm5 C34_1 17.2(3) 6_565 6_565
C51_2 Sm5 C34_1 24.8(3) . 6_565
C40_2 Sm5 C34_1 18.7(3) 6_565 6_565
C63_2 Sm5 C25_1 28.6(3) 6_565 .
C51_2 Sm5 C25_1 19.2(3) . .
C40_2 Sm5 C25_1 37.2(3) 6_565 .
C34_1 Sm5 C25_1 33.7(4) 6_565 .
C63_2 Sm5 C24_1 14.0(3) 6_565 .
C51_2 Sm5 C24_1 27.1(3) . .
C40_2 Sm5 C24_1 22.5(3) 6_565 .
C34_1 Sm5 C24_1 3.8(5) 6_565 .
C25_1 Sm5 C24_1 33.8(2) . .
C24_2 Sm6 C54_1 8.0(4) . 6_565
C24_2 Sm6 C51_1 24.7(3) . .
C54_1 Sm6 C51_1 31.4(5) 6_565 .
C24_2 Sm6 C72_1 31.2(4) . .
C54_1 Sm6 C72_1 29.2(5) 6_565 .
C51_1 Sm6 C72_1 53.9(4) . .
C24_2 Sm6 C44_2 24.48(10) . 6_565
C54_1 Sm6 C44_2 27.8(4) 6_565 6_565
C51_1 Sm6 C44_2 14.4(3) . 6_565
C72_1 Sm6 C44_2 55.7(4) . 6_565
C24_2 Sm6 C52_1 12.9(3) . .
C54_1 Sm6 C52_1 5.8(5) 6_565 .
C51_1 Sm6 C52_1 33.6(3) . .
C72_1 Sm6 C52_1 32.7(3) . .
C44_2 Sm6 C52_1 27.4(3) 6_565 .
C59_1 Sm7 C36_1 38.6(3) 6_565 .
C59_1 Sm7 C53_2 40.4(3) 6_565 6_565
C36_1 Sm7 C53_2 4.6(3) . 6_565
C59_1 Sm7 C45_1 65.3(4) 6_565 6_565
C36_1 Sm7 C45_1 29.3(4) . 6_565
C53_2 Sm7 C45_1 30.2(4) 6_565 6_565
C59_1 Sm7 C54_2 59.7(4) 6_565 6_565
C36_1 Sm7 C54_2 31.6(3) . 6_565
C53_2 Sm7 C54_2 34.59(18) 6_565 6_565
C45_1 Sm7 C54_2 15.6(2) 6_565 6_565
C59_1 Sm7 Sm4 118.3(6) 6_565 6_565
C36_1 Sm7 Sm4 116.2(5) . 6_565
C53_2 Sm7 Sm4 111.7(5) 6_565 6_565
C45_1 Sm7 Sm4 120.6(5) 6_565 6_565
C54_2 Sm7 Sm4 136.1(5) 6_565 6_565
C59_1 Sm7 C39_2 50.2(4) 6_565 .
C36_1 Sm7 C39_2 14.1(2) . .
C53_2 Sm7 C39_2 10.38(5) 6_565 .
C45_1 Sm7 C39_2 27.1(3) 6_565 .
C54_2 Sm7 C39_2 36.3(2) 6_565 .
C59_1 Sm7 C60_1 32.7(2) 6_565 6_565
C36_1 Sm7 C60_1 43.5(4) . 6_565
C53_2 Sm7 C60_1 47.9(4) 6_565 6_565
C45_1 Sm7 C60_1 55.0(4) 6_565 6_565
C54_2 Sm7 C60_1 41.9(3) 6_565 6_565
C39_2 Sm7 C60_1 57.4(4) . 6_565
C59_1 Sm7 C44_1 58.1(3) 6_565 6_565
C36_1 Sm7 C44_1 41.4(3) . 6_565
C53_2 Sm7 C44_1 45.4(3) 6_565 6_565
C45_1 Sm7 C44_1 31.5(2) 6_565 6_565
C54_2 Sm7 C44_1 16.0(3) 6_565 6_565
C39_2 Sm7 C44_1 49.8(3) . 6_565
C60_1 Sm7 C44_1 31.9(2) 6_565 6_565
C10_1 C1_1 C6_1 111.6(10) . .
C10_1 C1_1 C2_1 127.6(11) . .
C6_1 C1_1 C2_1 117.6(5) . .
C3_1 C2_1 C13_1 130.2(10) . .
C3_1 C2_1 C1_1 112.7(11) . .
C13_1 C2_1 C1_1 112.0(9) . .
C4_1 C3_1 C2_1 119.7(9) . .
C4_1 C3_1 C16_1 118.9(9) . .
C2_1 C3_1 C16_1 117.3(9) . .
C3_1 C4_1 C5_1 130.9(7) . .
C3_1 C4_1 C19_1 116.0(8) . .
C5_1 C4_1 C19_1 107.5(5) . .
C6_1 C5_1 C4_1 112.2(11) . .
C6_1 C5_1 C21_1 119.9(13) . .
C4_1 C5_1 C21_1 109.3(5) . .
C5_1 C6_1 C7_1 113.0(9) . .
C5_1 C6_1 C1_1 125.4(9) . .
C7_1 C6_1 C1_1 120.9(9) . .
C8_1 C7_1 C23_1 119.9(11) . .
C8_1 C7_1 C6_1 115.2(11) . .
C23_1 C7_1 C6_1 119.6(11) . .
C8_1 C7_1 Sm5 81.6(12) . .
C23_1 C7_1 Sm5 70.3(12) . .
C6_1 C7_1 Sm5 96.2(11) . .
C7_1 C8_1 C9_1 131.0(12) . .
C7_1 C8_1 C26_1 111.2(12) . .
C9_1 C8_1 C26_1 108.0(5) . .
C7_1 C8_1 Sm2 87.5(13) . .
C9_1 C8_1 Sm2 84.9(9) . .
C26_1 C8_1 Sm2 63.2(8) . .
C7_1 C8_1 Sm4 93.5(13) . .
C9_1 C8_1 Sm4 77.2(8) . .
C26_1 C8_1 Sm4 65.4(8) . .
C7_1 C8_1 Sm5 70.9(12) . .
C9_1 C8_1 Sm5 100.6(10) . .
C26_1 C8_1 Sm5 66.0(9) . .
C28_1 C9_1 C10_1 133.3(10) . .
C28_1 C9_1 C8_1 110.3(5) . .
C10_1 C9_1 C8_1 105.6(9) . .
C28_1 C9_1 Sm4 67.9(7) . .
C10_1 C9_1 Sm4 94.3(8) . .
C8_1 C9_1 Sm4 75.2(8) . .
C28_1 C9_1 Sm2 72.9(7) . .
C10_1 C9_1 Sm2 95.3(8) . .
C8_1 C9_1 Sm2 67.2(8) . .
C11_1 C10_1 C1_1 106.6(10) . .
C11_1 C10_1 C9_1 113.9(6) . .
C1_1 C10_1 C9_1 135.2(11) . .
C10_1 C11_1 C12_1 133.0(11) . .
C10_1 C11_1 C30_1 110.4(8) . .
C12_1 C11_1 C30_1 109.1(5) . .
C10_1 C11_1 Sm4 99.8(7) . 6_565
C12_1 C11_1 Sm4 71.7(9) . 6_565
C30_1 C11_1 Sm4 69.5(7) . 6_565
C10_1 C11_1 Sm2 103.0(7) . 6_565
C12_1 C11_1 Sm2 63.9(9) . 6_565
C30_1 C11_1 Sm2 75.8(7) . 6_565
C13_1 C12_1 C11_1 119.7(13) . .
C13_1 C12_1 C32_1 126.7(12) . .
C11_1 C12_1 C32_1 108.0(5) . .
C13_1 C12_1 Sm2 92.1(12) . 6_565
C11_1 C12_1 Sm2 87.6(9) . 6_565
C32_1 C12_1 Sm2 66.6(8) . 6_565
C13_1 C12_1 Sm4 98.3(13) . 6_565
C11_1 C12_1 Sm4 80.2(9) . 6_565
C32_1 C12_1 Sm4 66.7(8) . 6_565
C13_1 C12_1 Sm5 74.2(11) . 6_565
C11_1 C12_1 Sm5 101.9(11) . 6_565
C32_1 C12_1 Sm5 74.1(8) . 6_565
C12_1 C13_1 C14_1 124.1(13) . .
C12_1 C13_1 C2_1 120.7(12) . .
C14_1 C13_1 C2_1 108.6(9) . .
C12_1 C13_1 Sm5 78.3(11) . 6_565
C14_1 C13_1 Sm5 70.7(10) . 6_565
C2_1 C13_1 Sm5 97.4(8) . 6_565
C12_1 C13_1 Sm2 61.5(11) . 6_565
C14_1 C13_1 Sm2 86.6(10) . 6_565
C2_1 C13_1 Sm2 100.4(8) . 6_565
C15_1 C14_1 C34_1 115.1(10) . .
C15_1 C14_1 C13_1 122.7(12) . .
C34_1 C14_1 C13_1 112.1(11) . .
C15_1 C14_1 Sm5 93.7(11) . 6_565
C34_1 C14_1 Sm5 64.8(9) . 6_565
C13_1 C14_1 Sm5 78.5(10) . 6_565
C15_1 C14_1 Sm7 65.1(9) . .
C34_1 C14_1 Sm7 77.1(9) . .
C13_1 C14_1 Sm7 96.9(11) . .
C14_1 C15_1 C37_1 120.0(10) . .
C14_1 C15_1 C16_1 124.4(12) . .
C37_1 C15_1 C16_1 112.1(10) . .
C14_1 C15_1 Sm7 87.3(10) . .
C37_1 C15_1 Sm7 68.8(8) . .
C16_1 C15_1 Sm7 94.4(10) . .
C14_1 C15_1 Sm1 95.9(10) . .
C37_1 C15_1 Sm1 65.8(7) . .
C16_1 C15_1 Sm1 88.1(9) . .
C14_1 C15_1 Sm3 103.7(11) . .
C37_1 C15_1 Sm3 67.1(7) . .
C16_1 C15_1 Sm3 79.0(9) . .
C17_1 C16_1 C3_1 122.5(11) . .
C17_1 C16_1 C15_1 107.3(10) . .
C3_1 C16_1 C15_1 115.7(10) . .
C17_1 C16_1 Sm3 63.6(7) . .
C3_1 C16_1 Sm3 94.3(8) . .
C15_1 C16_1 Sm3 72.8(8) . .
C16_1 C17_1 C18_1 118.6(11) . .
C16_1 C17_1 C38_1 109.2(9) . .
C18_1 C17_1 C38_1 125.0(10) . .
C16_1 C17_1 Sm3 88.1(8) . .
C18_1 C17_1 Sm3 89.4(6) . .
C38_1 C17_1 Sm3 65.8(5) . .
C16_1 C17_1 Sm1 82.8(8) . .
C18_1 C17_1 Sm1 97.4(6) . .
C38_1 C17_1 Sm1 62.4(5) . .
C41_1 C18_1 C19_1 122.1(9) . .
C41_1 C18_1 C17_1 112.5(9) . .
C19_1 C18_1 C17_1 117.8(8) . .
C41_1 C18_1 Sm3 77.4(4) . .
C19_1 C18_1 Sm3 101.7(4) . .
C17_1 C18_1 Sm3 62.5(6) . .
C18_1 C19_1 C20_1 119.3(8) . .
C18_1 C19_1 C4_1 124.3(7) . .
C20_1 C19_1 C4_1 108.3(5) . .
C43_1 C20_1 C19_1 121.6(9) . .
C43_1 C20_1 C21_1 117.5(10) . .
C19_1 C20_1 C21_1 108.4(5) . .
C43_1 C20_1 Sm3 59.8(5) . 6_565
C19_1 C20_1 Sm3 94.1(6) . 6_565
C21_1 C20_1 Sm3 83.2(9) . 6_565
C22_1 C21_1 C20_1 122.1(11) . .
C22_1 C21_1 C5_1 128.7(12) . .
C20_1 C21_1 C5_1 106.1(5) . .
C22_1 C21_1 Sm3 82.5(11) . 6_565
C20_1 C21_1 Sm3 68.3(8) . 6_565
C5_1 C21_1 Sm3 101.3(10) . 6_565
C21_1 C22_1 C45_1 123.0(13) . .
C21_1 C22_1 C23_1 110.8(11) . .
C45_1 C22_1 C23_1 109.1(6) . .
C21_1 C22_1 Sm7 86.8(12) . 6_565
C45_1 C22_1 Sm7 59.0(9) . 6_565
C23_1 C22_1 Sm7 83.9(9) . 6_565
C21_1 C22_1 Sm1 81.7(11) . 6_565
C45_1 C22_1 Sm1 58.1(9) . 6_565
C23_1 C22_1 Sm1 91.6(9) . 6_565
C24_1 C23_1 C7_1 120.1(12) . .
C24_1 C23_1 C22_1 108.2(5) . .
C7_1 C23_1 C22_1 123.2(10) . .
C24_1 C23_1 Sm5 64.3(9) . .
C7_1 C23_1 Sm5 80.5(13) . .
C22_1 C23_1 Sm5 96.2(9) . .
C23_1 C24_1 C25_1 125.5(12) . .
C23_1 C24_1 C46_1 108.8(5) . .
C25_1 C24_1 C46_1 115.8(11) . .
C23_1 C24_1 Sm5 85.3(11) . .
C25_1 C24_1 Sm5 73.2(10) . .
C46_1 C24_1 Sm5 80.6(8) . .
C23_1 C24_1 Sm2 89.2(11) . .
C25_1 C24_1 Sm2 58.6(9) . .
C46_1 C24_1 Sm2 94.5(8) . .
C26_1 C25_1 C49_1 130.1(10) . .
C26_1 C25_1 C24_1 105.3(10) . .
C49_1 C25_1 C24_1 115.6(11) . .
C26_1 C25_1 Sm5 85.6(9) . .
C49_1 C25_1 Sm5 80.5(8) . .
C24_1 C25_1 Sm5 73.0(10) . .
C26_1 C25_1 Sm2 72.0(8) . .
C49_1 C25_1 Sm2 78.7(8) . .
C24_1 C25_1 Sm2 92.4(10) . .
C26_1 C25_1 Sm4 69.3(8) . .
C49_1 C25_1 Sm4 77.2(7) . .
C24_1 C25_1 Sm4 98.6(10) . .
C25_1 C26_1 C8_1 135.1(13) . .
C25_1 C26_1 C27_1 105.9(9) . .
C8_1 C26_1 C27_1 107.2(5) . .
C25_1 C26_1 Sm2 75.7(9) . .
C8_1 C26_1 Sm2 86.2(10) . .
C27_1 C26_1 Sm2 72.4(7) . .
C25_1 C26_1 Sm4 81.5(9) . .
C8_1 C26_1 Sm4 85.8(9) . .
C27_1 C26_1 Sm4 64.8(7) . .
C25_1 C26_1 Sm5 63.9(8) . .
C8_1 C26_1 Sm5 85.9(10) . .
C27_1 C26_1 Sm5 91.0(8) . .
C51_1 C27_1 C28_1 111.7(10) . .
C51_1 C27_1 C26_1 132.8(10) . .
C28_1 C27_1 C26_1 105.1(5) . .
C51_1 C27_1 Sm4 72.5(10) . .
C28_1 C27_1 Sm4 86.3(8) . .
C26_1 C27_1 Sm4 81.7(7) . .
C51_1 C27_1 Sm2 77.7(10) . .
C28_1 C27_1 Sm2 92.0(8) . .
C26_1 C27_1 Sm2 72.5(7) . .
C51_1 C27_1 Sm6 61.2(9) . .
C28_1 C27_1 Sm6 81.2(8) . .
C26_1 C27_1 Sm6 97.8(8) . .
C9_1 C28_1 C29_1 111.5(9) . .
C9_1 C28_1 C27_1 108.8(5) . .
C29_1 C28_1 C27_1 128.0(10) . .
C9_1 C28_1 Sm4 84.4(8) . .
C29_1 C28_1 Sm4 90.3(7) . .
C27_1 C28_1 Sm4 62.4(7) . .
C9_1 C28_1 Sm2 80.0(7) . .
C29_1 C28_1 Sm2 98.2(7) . .
C27_1 C28_1 Sm2 58.4(7) . .
C9_1 C28_1 Sm6 94.7(8) . .
C29_1 C28_1 Sm6 75.3(6) . .
C27_1 C28_1 Sm6 69.9(8) . .
C53_1 C29_1 C30_1 116.8(12) . .
C53_1 C29_1 C28_1 121.8(12) . .
C30_1 C29_1 C28_1 114.3(7) . .
C53_1 C29_1 Sm6 69.9(4) . .
C30_1 C29_1 Sm6 98.3(7) . .
C28_1 C29_1 Sm6 77.3(7) . .
C53_1 C29_1 Sm6 66.0(4) . 6_565
C30_1 C29_1 Sm6 76.4(8) . 6_565
C28_1 C29_1 Sm6 102.3(7) . 6_565
C29_1 C30_1 C31_1 111.7(10) . .
C29_1 C30_1 C11_1 133.2(9) . .
C31_1 C30_1 C11_1 107.7(5) . .
C29_1 C30_1 Sm4 92.5(8) . 6_565
C31_1 C30_1 Sm4 65.9(6) . 6_565
C11_1 C30_1 Sm4 81.3(7) . 6_565
C29_1 C30_1 Sm2 100.4(8) . 6_565
C31_1 C30_1 Sm2 63.4(6) . 6_565
C11_1 C30_1 Sm2 75.6(7) . 6_565
C29_1 C30_1 Sm6 76.7(7) . 6_565
C31_1 C30_1 Sm6 71.1(7) . 6_565
C11_1 C30_1 Sm6 93.6(8) . 6_565
C55_1 C31_1 C30_1 129.6(10) . .
C55_1 C31_1 C32_1 110.0(8) . .
C30_1 C31_1 C32_1 108.5(5) . .
C55_1 C31_1 Sm4 75.5(9) . 6_565
C30_1 C31_1 Sm4 83.6(7) . 6_565
C32_1 C31_1 Sm4 76.1(6) . 6_565
C55_1 C31_1 Sm2 78.8(9) . 6_565
C30_1 C31_1 Sm2 87.7(7) . 6_565
C32_1 C31_1 Sm2 66.9(5) . 6_565
C55_1 C31_1 Sm6 66.7(9) . 6_565
C30_1 C31_1 Sm6 80.6(8) . 6_565
C32_1 C31_1 Sm6 92.3(6) . 6_565
C33_1 C32_1 C31_1 137.0(11) . .
C33_1 C32_1 C12_1 105.9(10) . .
C31_1 C32_1 C12_1 106.6(5) . .
C33_1 C32_1 Sm2 78.6(11) . 6_565
C31_1 C32_1 Sm2 80.0(6) . 6_565
C12_1 C32_1 Sm2 80.2(9) . 6_565
C33_1 C32_1 Sm4 86.1(11) . 6_565
C31_1 C32_1 Sm4 71.2(6) . 6_565
C12_1 C32_1 Sm4 82.4(9) . 6_565
C33_1 C32_1 Sm5 63.4(11) . 6_565
C31_1 C32_1 Sm5 98.7(7) . 6_565
C12_1 C32_1 Sm5 75.8(9) . 6_565
C32_1 C33_1 C57_1 105.2(11) . .
C32_1 C33_1 C34_1 135.2(13) . .
C57_1 C33_1 C34_1 108.5(11) . .
C32_1 C33_1 Sm5 89.6(12) . 6_565
C57_1 C33_1 Sm5 77.7(10) . 6_565
C34_1 C33_1 Sm5 70.1(10) . 6_565
C32_1 C33_1 Sm2 71.8(11) . 6_565
C57_1 C33_1 Sm2 72.7(9) . 6_565
C34_1 C33_1 Sm2 90.9(12) . 6_565
C32_1 C33_1 Sm4 67.2(10) . 6_565
C57_1 C33_1 Sm4 70.7(9) . 6_565
C34_1 C33_1 Sm4 97.3(12) . 6_565
C35_1 C34_1 C14_1 127.5(10) . .
C35_1 C34_1 C33_1 108.2(9) . .
C14_1 C34_1 C33_1 115.8(11) . .
C35_1 C34_1 Sm5 81.3(7) . 6_565
C14_1 C34_1 Sm5 83.3(10) . 6_565
C33_1 C34_1 Sm5 75.2(11) . 6_565
C35_1 C34_1 Sm2 90.0(7) . 6_565
C14_1 C34_1 Sm2 88.9(10) . 6_565
C33_1 C34_1 Sm2 59.0(10) . 6_565
C35_1 C34_1 Sm7 67.4(6) . .
C14_1 C34_1 Sm7 75.7(9) . .
C33_1 C34_1 Sm7 102.9(12) . .
C34_1 C35_1 C36_1 114.4(7) . .
C34_1 C35_1 C58_1 109.1(8) . .
C36_1 C35_1 C58_1 127.2(6) . .
C34_1 C35_1 Sm5 66.7(7) . 6_565
C36_1 C35_1 Sm5 93.6(4) . 6_565
C58_1 C35_1 Sm5 77.3(5) . 6_565
C34_1 C35_1 Sm7 85.2(7) . .
C36_1 C35_1 Sm7 63.1(4) . .
C58_1 C35_1 Sm7 93.3(5) . .
C37_1 C36_1 C65_1 117.1(9) . .
C37_1 C36_1 C35_1 119.5(8) . .
C65_1 C36_1 C35_1 115.4(7) . .
C37_1 C36_1 Sm7 77.0(6) . .
C65_1 C36_1 Sm7 78.3(7) . .
C35_1 C36_1 Sm7 86.2(5) . .
C37_1 C36_1 Sm1 72.1(5) . .
C65_1 C36_1 Sm1 74.5(6) . .
C35_1 C36_1 Sm1 95.5(4) . .
C37_1 C36_1 Sm3 66.1(5) . .
C65_1 C36_1 Sm3 74.0(6) . .
C35_1 C36_1 Sm3 103.0(4) . .
C36_1 C37_1 C15_1 121.8(9) . .
C36_1 C37_1 C38_1 121.5(10) . .
C15_1 C37_1 C38_1 103.9(8) . .
C36_1 C37_1 Sm1 76.1(5) . .
C15_1 C37_1 Sm1 83.7(8) . .
C38_1 C37_1 Sm1 74.8(5) . .
C36_1 C37_1 Sm7 71.0(6) . .
C15_1 C37_1 Sm7 80.5(8) . .
C38_1 C37_1 Sm7 84.1(6) . .
C36_1 C37_1 Sm3 84.9(6) . .
C15_1 C37_1 Sm3 83.4(8) . .
C38_1 C37_1 Sm3 64.9(5) . .
C39_1 C38_1 C17_1 119.2(9) . .
C39_1 C38_1 C37_1 120.9(10) . .
C17_1 C38_1 C37_1 107.2(7) . .
C39_1 C38_1 Sm3 72.4(4) . .
C17_1 C38_1 Sm3 81.3(6) . .
C37_1 C38_1 Sm3 81.3(5) . .
C39_1 C38_1 Sm1 75.8(4) . .
C17_1 C38_1 Sm1 87.9(6) . .
C37_1 C38_1 Sm1 71.4(5) . .
C39_1 C38_1 Sm7 80.8(5) . .
C17_1 C38_1 Sm7 89.5(6) . .
C37_1 C38_1 Sm7 64.4(6) . .
C64_1 C39_1 C38_1 117.5(9) . .
C64_1 C39_1 C40_1 115.0(9) . .
C38_1 C39_1 C40_1 117.8(9) . .
C64_1 C39_1 Sm3 80.2(4) . .
C38_1 C39_1 Sm3 73.6(4) . .
C40_1 C39_1 Sm3 85.0(5) . .
C64_1 C39_1 Sm1 72.6(4) . .
C38_1 C39_1 Sm1 72.6(4) . .
C40_1 C39_1 Sm1 94.1(5) . .
C64_1 C39_1 Sm7 69.9(5) . .
C38_1 C39_1 Sm7 71.1(5) . .
C40_1 C39_1 Sm7 99.0(6) . .
C63_1 C40_1 C39_1 122.3(9) . .
C63_1 C40_1 C41_1 111.3(5) . .
C39_1 C40_1 C41_1 117.0(9) . .
C63_1 C40_1 Sm3 91.4(5) . .
C39_1 C40_1 Sm3 63.2(4) . .
C41_1 C40_1 Sm3 86.5(5) . .
C18_1 C41_1 C40_1 127.3(8) . .
C18_1 C41_1 C42_1 117.9(8) . .
C40_1 C41_1 C42_1 104.5(5) . .
C18_1 C41_1 Sm3 76.2(4) . .
C40_1 C41_1 Sm3 64.3(4) . .
C42_1 C41_1 Sm3 103.3(3) . .
C43_1 C42_1 C62_1 120.5(7) . .
C43_1 C42_1 C41_1 121.1(7) . .
C62_1 C42_1 C41_1 108.0(5) . .
C43_1 C42_1 Sm3 66.8(4) . 6_565
C62_1 C42_1 Sm3 75.7(4) . 6_565
C41_1 C42_1 Sm3 97.8(4) . 6_565
C43_1 C42_1 Sm1 63.9(4) . 6_565
C62_1 C42_1 Sm1 74.3(4) . 6_565
C41_1 C42_1 Sm1 103.5(4) . 6_565
C42_1 C43_1 C20_1 117.5(8) . .
C42_1 C43_1 C44_1 117.4(8) . .
C20_1 C43_1 C44_1 116.7(9) . .
C42_1 C43_1 Sm3 81.8(4) . 6_565
C20_1 C43_1 Sm3 90.1(6) . 6_565
C44_1 C43_1 Sm3 69.1(4) . 6_565
C42_1 C43_1 Sm1 89.0(4) . 6_565
C20_1 C43_1 Sm1 91.5(6) . 6_565
C44_1 C43_1 Sm1 60.8(4) . 6_565
C42_1 C43_1 Sm7 94.4(5) . 6_565
C20_1 C43_1 Sm7 89.4(7) . 6_565
C44_1 C43_1 Sm7 57.6(4) . 6_565
C45_1 C44_1 C60_1 115.0(9) . .
C45_1 C44_1 C43_1 120.7(9) . .
C60_1 C44_1 C43_1 115.6(9) . .
C45_1 C44_1 Sm3 90.2(8) . 6_565
C60_1 C44_1 Sm3 75.4(4) . 6_565
C43_1 C44_1 Sm3 74.8(4) . 6_565
C45_1 C44_1 Sm1 81.4(8) . 6_565
C60_1 C44_1 Sm1 72.5(4) . 6_565
C43_1 C44_1 Sm1 86.1(4) . 6_565
C45_1 C44_1 Sm7 73.2(8) . 6_565
C60_1 C44_1 Sm7 74.0(5) . 6_565
C43_1 C44_1 Sm7 93.1(5) . 6_565
C44_1 C45_1 C22_1 117.6(11) . .
C44_1 C45_1 C46_1 127.8(10) . .
C22_1 C45_1 C46_1 107.2(5) . .
C44_1 C45_1 Sm7 75.3(8) . 6_565
C22_1 C45_1 Sm7 92.6(10) . 6_565
C46_1 C45_1 Sm7 77.4(7) . 6_565
C44_1 C45_1 Sm1 66.3(7) . 6_565
C22_1 C45_1 Sm1 94.1(10) . 6_565
C46_1 C45_1 Sm1 86.0(7) . 6_565
C44_1 C45_1 Sm3 59.4(6) . 6_565
C22_1 C45_1 Sm3 91.5(10) . 6_565
C46_1 C45_1 Sm3 95.8(8) . 6_565
C47_1 C46_1 C24_1 131.5(10) . .
C47_1 C46_1 C45_1 110.6(9) . .
C24_1 C46_1 C45_1 105.7(5) . .
C47_1 C46_1 Sm7 71.6(5) . 6_565
C24_1 C46_1 Sm7 93.1(8) . 6_565
C45_1 C46_1 Sm7 69.3(8) . 6_565
C47_1 C46_1 Sm5 80.1(5) . .
C24_1 C46_1 Sm5 66.4(8) . .
C45_1 C46_1 Sm5 93.5(7) . .
C47_1 C46_1 Sm1 72.0(5) . 6_565
C24_1 C46_1 Sm1 98.4(7) . 6_565
C45_1 C46_1 Sm1 62.8(7) . 6_565
C46_1 C47_1 C59_1 126.5(8) . .
C46_1 C47_1 C48_1 106.8(9) . .
C59_1 C47_1 C48_1 118.2(8) . .
C46_1 C47_1 Sm7 78.1(5) . 6_565
C59_1 C47_1 Sm7 72.0(6) . 6_565
C48_1 C47_1 Sm7 93.5(6) . 6_565
C46_1 C47_1 Sm1 80.1(5) . 6_565
C59_1 C47_1 Sm1 65.2(6) . 6_565
C48_1 C47_1 Sm1 100.4(5) . 6_565
C46_1 C47_1 Sm5 71.0(5) . .
C59_1 C47_1 Sm5 99.8(6) . .
C48_1 C47_1 Sm5 67.8(5) . .
C75_1 C48_1 C47_1 119.7(9) . .
C75_1 C48_1 C49_1 107.8(5) . .
C47_1 C48_1 C49_1 127.6(10) . .
C75_1 C48_1 Sm5 91.2(6) . .
C47_1 C48_1 Sm5 82.1(6) . .
C49_1 C48_1 Sm5 75.7(7) . .
C75_1 C48_1 Sm2 82.9(5) . .
C47_1 C48_1 Sm2 99.8(6) . .
C49_1 C48_1 Sm2 63.9(6) . .
C75_1 C48_1 Sm7 89.4(6) . 6_565
C47_1 C48_1 Sm7 58.6(5) . 6_565
C49_1 C48_1 Sm7 103.7(8) . 6_565
C25_1 C49_1 C48_1 119.4(11) . .
C25_1 C49_1 C50_1 114.2(9) . .
C48_1 C49_1 C50_1 106.5(5) . .
C25_1 C49_1 Sm5 67.6(8) . .
C48_1 C49_1 Sm5 72.2(7) . .
C50_1 C49_1 Sm5 86.9(9) . .
C25_1 C49_1 Sm2 69.7(7) . .
C48_1 C49_1 Sm2 86.6(7) . .
C50_1 C49_1 Sm2 69.0(9) . .
C25_1 C49_1 Sm4 74.2(7) . .
C48_1 C49_1 Sm4 89.2(6) . .
C50_1 C49_1 Sm4 61.6(9) . .
C51_1 C50_1 C74_1 121.1(13) . .
C51_1 C50_1 C49_1 124.7(12) . .
C74_1 C50_1 C49_1 106.7(5) . .
C51_1 C50_1 Sm2 76.2(12) . .
C74_1 C50_1 Sm2 90.1(10) . .
C49_1 C50_1 Sm2 77.7(8) . .
C51_1 C50_1 Sm4 70.0(12) . .
C74_1 C50_1 Sm4 87.5(10) . .
C49_1 C50_1 Sm4 87.3(9) . .
C51_1 C50_1 Sm6 65.6(12) . .
C74_1 C50_1 Sm6 76.9(10) . .
C49_1 C50_1 Sm6 103.8(10) . .
C51_1 C50_1 Sm5 92.4(13) . .
C74_1 C50_1 Sm5 86.5(9) . .
C49_1 C50_1 Sm5 63.0(8) . .
C50_1 C51_1 C27_1 110.4(11) . .
C50_1 C51_1 C52_1 124.6(12) . .
C27_1 C51_1 C52_1 118.6(10) . .
C50_1 C51_1 Sm4 77.3(13) . .
C27_1 C51_1 Sm4 73.8(9) . .
C52_1 C51_1 Sm4 92.7(10) . .
C50_1 C51_1 Sm6 83.0(13) . .
C27_1 C51_1 Sm6 88.3(10) . .
C52_1 C51_1 Sm6 74.7(9) . .
C50_1 C51_1 Sm2 71.9(12) . .
C27_1 C51_1 Sm2 69.9(9) . .
C52_1 C51_1 Sm2 101.8(10) . .
C72_1 C52_1 C51_1 104.1(10) . .
C72_1 C52_1 C53_1 113.6(9) . .
C51_1 C52_1 C53_1 126.3(11) . .
C72_1 C52_1 Sm6 72.8(10) . .
C51_1 C52_1 Sm6 71.6(9) . .
C53_1 C52_1 Sm6 84.3(7) . .
C72_1 C52_1 Sm4 83.4(9) . .
C51_1 C52_1 Sm4 57.6(9) . .
C53_1 C52_1 Sm4 89.6(7) . .
C29_1 C53_1 C52_1 112.6(12) . .
C29_1 C53_1 C54_1 131.9(12) . .
C52_1 C53_1 C54_1 104.5(6) . .
C29_1 C53_1 Sm6 86.9(4) . 6_565
C52_1 C53_1 Sm6 89.5(6) . 6_565
C54_1 C53_1 Sm6 63.4(7) . 6_565
C29_1 C53_1 Sm6 83.0(5) . .
C52_1 C53_1 Sm6 64.0(6) . .
C54_1 C53_1 Sm6 87.0(7) . .
C55_1 C54_1 C71_1 141.5(13) . .
C55_1 C54_1 C53_1 107.3(12) . .
C71_1 C54_1 C53_1 104.7(10) . .
C55_1 C54_1 Sm6 81.5(11) . 6_565
C71_1 C54_1 Sm6 81.5(10) . 6_565
C53_1 C54_1 Sm6 83.2(7) . 6_565
C55_1 C54_1 Sm4 65.9(10) . 6_565
C71_1 C54_1 Sm4 95.0(10) . 6_565
C53_1 C54_1 Sm4 87.3(8) . 6_565
C54_1 C55_1 C31_1 118.6(12) . .
C54_1 C55_1 C56_1 104.9(11) . .
C31_1 C55_1 C56_1 122.9(10) . .
C54_1 C55_1 Sm4 85.0(11) . 6_565
C31_1 C55_1 Sm4 72.7(8) . 6_565
C56_1 C55_1 Sm4 76.3(11) . 6_565
C54_1 C55_1 Sm6 67.1(10) . 6_565
C31_1 C55_1 Sm6 83.6(9) . 6_565
C56_1 C55_1 Sm6 81.0(11) . 6_565
C54_1 C55_1 Sm2 93.3(11) . 6_565
C31_1 C55_1 Sm2 70.8(8) . 6_565
C56_1 C55_1 Sm2 71.6(10) . 6_565
C57_1 C56_1 C69_1 120.4(9) . .
C57_1 C56_1 C55_1 110.0(9) . .
C69_1 C56_1 C55_1 120.5(10) . .
C57_1 C56_1 Sm4 77.2(8) . 6_565
C69_1 C56_1 Sm4 90.9(9) . 6_565
C55_1 C56_1 Sm4 70.7(10) . 6_565
C57_1 C56_1 Sm2 68.2(7) . 6_565
C69_1 C56_1 Sm2 94.1(9) . 6_565
C55_1 C56_1 Sm2 76.4(10) . 6_565
C57_1 C56_1 Sm6 93.7(9) . 6_565
C69_1 C56_1 Sm6 79.4(9) . 6_565
C55_1 C56_1 Sm6 67.4(10) . 6_565
C56_1 C57_1 C33_1 134.1(10) . .
C56_1 C57_1 C58_1 113.4(8) . .
C33_1 C57_1 C58_1 107.0(9) . .
C56_1 C57_1 Sm2 80.9(8) . 6_565
C33_1 C57_1 Sm2 74.7(10) . 6_565
C58_1 C57_1 Sm2 94.9(6) . 6_565
C56_1 C57_1 Sm5 97.8(9) . 6_565
C33_1 C57_1 Sm5 70.3(10) . 6_565
C58_1 C57_1 Sm5 77.3(6) . 6_565
C56_1 C57_1 Sm4 72.9(8) . 6_565
C33_1 C57_1 Sm4 79.8(10) . 6_565
C58_1 C57_1 Sm4 99.5(6) . 6_565
C67_1 C58_1 C35_1 114.7(7) . .
C67_1 C58_1 C57_1 126.0(8) . .
C35_1 C58_1 C57_1 106.8(7) . .
C67_1 C58_1 Sm5 92.2(5) . 6_565
C35_1 C58_1 Sm5 71.1(5) . 6_565
C57_1 C58_1 Sm5 69.9(6) . 6_565
C67_1 C58_1 Sm2 93.9(5) . 6_565
C35_1 C58_1 Sm2 86.1(5) . 6_565
C57_1 C58_1 Sm2 55.5(5) . 6_565
C47_1 C59_1 C60_1 119.1(9) . .
C47_1 C59_1 C77_1 121.6(8) . .
C60_1 C59_1 C77_1 109.9(8) . .
C47_1 C59_1 Sm7 76.4(6) . 6_565
C60_1 C59_1 Sm7 75.6(6) . 6_565
C77_1 C59_1 Sm7 87.5(7) . 6_565
C47_1 C59_1 Sm1 84.9(6) . 6_565
C60_1 C59_1 Sm1 67.0(5) . 6_565
C77_1 C59_1 Sm1 86.7(7) . 6_565
C47_1 C59_1 Sm3 92.4(6) . 6_565
C60_1 C59_1 Sm3 59.5(5) . 6_565
C77_1 C59_1 Sm3 86.3(7) . 6_565
C44_1 C60_1 C59_1 120.6(9) . .
C44_1 C60_1 C61_1 124.8(9) . .
C59_1 C60_1 C61_1 103.1(7) . .
C44_1 C60_1 Sm1 72.9(4) . 6_565
C59_1 C60_1 Sm1 79.2(6) . 6_565
C61_1 C60_1 Sm1 85.2(5) . 6_565
C44_1 C60_1 Sm3 70.3(4) . 6_565
C59_1 C60_1 Sm3 89.9(6) . 6_565
C61_1 C60_1 Sm3 78.4(5) . 6_565
C44_1 C60_1 Sm7 74.1(5) . 6_565
C59_1 C60_1 Sm7 71.7(6) . 6_565
C61_1 C60_1 Sm7 91.4(5) . 6_565
C62_1 C61_1 C60_1 114.0(9) . .
C62_1 C61_1 C78_1 123.7(10) . .
C60_1 C61_1 C78_1 113.0(8) . .
C62_1 C61_1 Sm3 80.1(5) . 6_565
C60_1 C61_1 Sm3 67.8(4) . 6_565
C78_1 C61_1 Sm3 90.6(7) . 6_565
C62_1 C61_1 Sm1 90.4(5) . 6_565
C60_1 C61_1 Sm1 61.9(4) . 6_565
C78_1 C61_1 Sm1 85.6(7) . 6_565
C62_1 C61_1 Sm7 96.4(6) . 6_565
C60_1 C61_1 Sm7 59.4(5) . 6_565
C78_1 C61_1 Sm7 82.3(7) . 6_565
C61_1 C62_1 C42_1 126.7(9) . .
C61_1 C62_1 C63_1 114.3(9) . .
C42_1 C62_1 C63_1 109.1(5) . .
C61_1 C62_1 Sm3 71.7(5) . 6_565
C42_1 C62_1 Sm3 73.0(4) . 6_565
C63_1 C62_1 Sm3 98.0(5) . 6_565
C61_1 C62_1 Sm1 64.2(5) . 6_565
C42_1 C62_1 Sm1 78.3(4) . 6_565
C63_1 C62_1 Sm1 101.7(5) . 6_565
C40_1 C63_1 C80_1 119.6(9) . .
C40_1 C63_1 C62_1 106.4(5) . .
C80_1 C63_1 C62_1 124.3(8) . .
C39_1 C64_1 C81_1 124.8(9) . .
C39_1 C64_1 C65_1 121.7(9) . .
C81_1 C64_1 C65_1 101.6(7) . .
C39_1 C64_1 Sm3 67.6(4) . .
C81_1 C64_1 Sm3 86.1(7) . .
C65_1 C64_1 Sm3 84.4(6) . .
C39_1 C64_1 Sm1 76.4(4) . .
C81_1 C64_1 Sm1 85.6(7) . .
C65_1 C64_1 Sm1 74.0(6) . .
C39_1 C64_1 Sm7 82.4(5) . .
C81_1 C64_1 Sm7 85.4(7) . .
C65_1 C64_1 Sm7 66.8(6) . .
C36_1 C65_1 C66_1 116.7(8) . .
C36_1 C65_1 C64_1 121.1(9) . .
C66_1 C65_1 C64_1 110.5(7) . .
C36_1 C65_1 Sm1 73.8(6) . .
C66_1 C65_1 Sm1 90.6(6) . .
C64_1 C65_1 Sm1 72.5(5) . .
C36_1 C65_1 Sm7 69.7(6) . .
C66_1 C65_1 Sm7 85.4(6) . .
C64_1 C65_1 Sm7 81.6(6) . .
C36_1 C65_1 Sm3 77.4(6) . .
C66_1 C65_1 Sm3 96.1(6) . .
C64_1 C65_1 Sm3 64.2(5) . .
C82_1 C66_1 C67_1 120.4(7) . .
C82_1 C66_1 C65_1 106.3(7) . .
C67_1 C66_1 C65_1 124.8(7) . .
C82_1 C66_1 Sm7 85.0(6) . .
C67_1 C66_1 Sm7 90.4(4) . .
C65_1 C66_1 Sm7 64.7(6) . .
C82_1 C66_1 Sm1 80.4(6) . .
C67_1 C66_1 Sm1 98.4(4) . .
C65_1 C66_1 Sm1 60.5(5) . .
C58_1 C67_1 C68_1 115.8(7) . .
C58_1 C67_1 C66_1 120.8(7) . .
C68_1 C67_1 C66_1 115.9(7) . .
C67_1 C68_1 C69_1 121.0(7) . .
C67_1 C68_1 C84_1 122.8(7) . .
C69_1 C68_1 C84_1 106.7(7) . .
C56_1 C69_1 C68_1 121.8(8) . .
C56_1 C69_1 C70_1 119.5(10) . .
C68_1 C69_1 C70_1 108.9(8) . .
C56_1 C69_1 Sm6 72.0(9) . 6_565
C68_1 C69_1 Sm6 98.3(6) . 6_565
C70_1 C69_1 Sm6 69.9(7) . 6_565
C56_1 C69_1 Sm4 61.4(8) . 6_565
C68_1 C69_1 Sm4 94.2(6) . 6_565
C70_1 C69_1 Sm4 85.4(7) . 6_565
C71_1 C70_1 C69_1 126.6(11) . .
C71_1 C70_1 C85_1 117.0(11) . .
C69_1 C70_1 C85_1 106.7(8) . .
C71_1 C70_1 Sm6 70.8(9) . 6_565
C69_1 C70_1 Sm6 80.3(7) . 6_565
C85_1 C70_1 Sm6 90.2(8) . 6_565
C70_1 C71_1 C54_1 106.6(12) . .
C70_1 C71_1 C72_1 128.5(15) . .
C54_1 C71_1 C72_1 114.3(14) . .
C70_1 C71_1 Sm6 81.9(10) . 6_565
C54_1 C71_1 Sm6 66.4(9) . 6_565
C72_1 C71_1 Sm6 86.9(15) . 6_565
C70_1 C71_1 Sm6 100.4(10) . .
C54_1 C71_1 Sm6 82.3(10) . .
C72_1 C71_1 Sm6 57.7(13) . .
C52_1 C72_1 C73_1 140.0(12) . .
C52_1 C72_1 C71_1 101.2(12) . .
C73_1 C72_1 C71_1 111.3(14) . .
C52_1 C72_1 Sm6 74.5(10) . .
C73_1 C72_1 Sm6 81.6(10) . .
C71_1 C72_1 Sm6 92.2(15) . .
C52_1 C72_1 Sm6 81.4(10) . 6_565
C73_1 C72_1 Sm6 92.9(11) . 6_565
C71_1 C72_1 Sm6 63.1(13) . 6_565
C74_1 C73_1 C72_1 106.7(10) . .
C74_1 C73_1 C86_1 122.3(9) . .
C72_1 C73_1 C86_1 122.4(11) . .
C74_1 C73_1 Sm6 77.1(8) . .
C72_1 C73_1 Sm6 66.4(9) . .
C86_1 C73_1 Sm6 95.4(10) . .
C73_1 C74_1 C50_1 121.9(11) . .
C73_1 C74_1 C75_1 122.2(8) . .
C50_1 C74_1 C75_1 108.9(5) . .
C73_1 C74_1 Sm6 72.6(8) . .
C50_1 C74_1 Sm6 72.8(10) . .
C75_1 C74_1 Sm6 100.3(6) . .
C73_1 C74_1 Sm4 89.1(8) . .
C50_1 C74_1 Sm4 62.7(10) . .
C75_1 C74_1 Sm4 91.0(5) . .
C73_1 C74_1 Sm2 96.9(8) . .
C50_1 C74_1 Sm2 60.7(9) . .
C75_1 C74_1 Sm2 84.3(5) . .
C76_1 C75_1 C48_1 122.6(8) . .
C76_1 C75_1 C74_1 119.2(8) . .
C48_1 C75_1 C74_1 109.8(5) . .
C76_1 C75_1 Sm5 93.9(4) . .
C48_1 C75_1 Sm5 60.6(5) . .
C74_1 C75_1 Sm5 85.7(5) . .
C77_1 C76_1 C75_1 117.4(8) . .
C77_1 C76_1 C87_1 122.6(8) . .
C75_1 C76_1 C87_1 115.8(7) . .
C76_1 C77_1 C78_1 121.3(9) . .
C76_1 C77_1 C59_1 119.4(9) . .
C78_1 C77_1 C59_1 110.6(8) . .
C76_1 C77_1 Sm1 96.5(6) . 6_565
C78_1 C77_1 Sm1 80.2(8) . 6_565
C59_1 C77_1 Sm1 62.5(6) . 6_565
C76_1 C77_1 Sm7 89.7(6) . 6_565
C78_1 C77_1 Sm7 88.1(8) . 6_565
C59_1 C77_1 Sm7 61.7(6) . 6_565
C79_1 C78_1 C77_1 122.7(10) . .
C79_1 C78_1 C61_1 123.5(9) . .
C77_1 C78_1 C61_1 103.0(9) . .
C79_1 C78_1 Sm1 98.2(8) . 6_565
C77_1 C78_1 Sm1 71.7(7) . 6_565
C61_1 C78_1 Sm1 64.6(6) . 6_565
C79_1 C78_1 Sm3 94.4(7) . 6_565
C77_1 C78_1 Sm3 81.0(8) . 6_565
C61_1 C78_1 Sm3 59.7(6) . 6_565
C78_1 C79_1 C88_1 119.6(10) . .
C78_1 C79_1 C80_1 115.9(8) . .
C88_1 C79_1 C80_1 120.9(8) . .
C81_1 C80_1 C63_1 119.4(9) . .
C81_1 C80_1 C79_1 117.2(7) . .
C63_1 C80_1 C79_1 116.6(8) . .
C80_1 C81_1 C82_1 123.1(9) . .
C80_1 C81_1 C64_1 117.5(9) . .
C82_1 C81_1 C64_1 112.7(8) . .
C80_1 C81_1 Sm1 92.7(7) . .
C82_1 C81_1 Sm1 85.4(8) . .
C64_1 C81_1 Sm1 64.6(6) . .
C80_1 C81_1 Sm3 84.7(7) . .
C82_1 C81_1 Sm3 94.4(8) . .
C64_1 C81_1 Sm3 64.2(6) . .
C66_1 C82_1 C83_1 124.2(9) . .
C66_1 C82_1 C81_1 108.9(8) . .
C83_1 C82_1 C81_1 118.8(9) . .
C84_1 C83_1 C82_1 114.0(8) . .
C84_1 C83_1 C88_1 121.6(7) . .
C82_1 C83_1 C88_1 120.5(8) . .
C83_1 C84_1 C85_1 119.7(8) . .
C83_1 C84_1 C68_1 120.8(7) . .
C85_1 C84_1 C68_1 110.0(7) . .
C86_1 C85_1 C84_1 124.0(11) . .
C86_1 C85_1 C70_1 122.3(12) . .
C84_1 C85_1 C70_1 107.6(8) . .
C85_1 C86_1 C87_1 121.9(12) . .
C85_1 C86_1 C73_1 118.0(12) . .
C87_1 C86_1 C73_1 111.5(9) . .
C86_1 C87_1 C76_1 128.7(9) . .
C86_1 C87_1 C88_1 116.3(10) . .
C76_1 C87_1 C88_1 111.8(8) . .
C79_1 C88_1 C83_1 119.3(9) . .
C79_1 C88_1 C87_1 121.6(11) . .
C83_1 C88_1 C87_1 116.2(7) . .
C10_2 C1_2 C2_2 132.0 . .
C10_2 C1_2 C6_2 108.4 . .
C2_2 C1_2 C6_2 116.8 . .
C3_2 C2_2 C1_2 128.4 . .
C3_2 C2_2 C13_2 119.7 . .
C1_2 C2_2 C13_2 109.7 . .
C2_2 C3_2 C4_2 108.9 . .
C2_2 C3_2 C16_2 125.5 . .
C4_2 C3_2 C16_2 117.9 . .
C3_2 C4_2 C5_2 129.2 . .
C3_2 C4_2 C19_2 116.8 . .
C5_2 C4_2 C19_2 107.4 . .
C6_2 C5_2 C4_2 118.7 . .
C6_2 C5_2 C21_2 123.4 . .
C4_2 C5_2 C21_2 108.4 . .
C6_2 C5_2 Sm6 89.18(16) . 6_565
C4_2 C5_2 Sm6 89.66(18) . 6_565
C21_2 C5_2 Sm6 60.45(13) . 6_565
C5_2 C6_2 C1_2 117.8 . .
C5_2 C6_2 C7_2 109.6 . .
C1_2 C6_2 C7_2 128.2 . .
C5_2 C6_2 Sm6 90.47(18) . .
C1_2 C6_2 Sm6 100.76(15) . .
C7_2 C6_2 Sm6 58.07(13) . .
C8_2 C7_2 C23_2 132.5 . .
C8_2 C7_2 C6_2 104.9 . .
C23_2 C7_2 C6_2 120.5 . .
C8_2 C7_2 Sm6 91.3(2) . .
C23_2 C7_2 Sm6 74.4(2) . .
C6_2 C7_2 Sm6 92.91(17) . .
C7_2 C8_2 C9_2 136.8 . .
C7_2 C8_2 C26_2 105.2 . .
C9_2 C8_2 C26_2 107.0 . .
C7_2 C8_2 Sm6 60.10(17) . .
C9_2 C8_2 Sm6 103.53(15) . .
C26_2 C8_2 Sm6 73.08(17) . .
C28_2 C9_2 C10_2 135.2 . .
C28_2 C9_2 C8_2 111.0 . .
C10_2 C9_2 C8_2 103.8 . .
C1_2 C10_2 C11_2 107.6 . .
C1_2 C10_2 C9_2 135.5 . .
C11_2 C10_2 C9_2 112.5 . .
C10_2 C11_2 C12_2 131.9 . .
C10_2 C11_2 C30_2 110.4 . .
C12_2 C11_2 C30_2 109.2 . .
C10_2 C11_2 Sm1 94.18(10) . 6_565
C12_2 C11_2 Sm1 81.75(11) . 6_565
C30_2 C11_2 Sm1 61.22(10) . 6_565
C13_2 C12_2 C11_2 112.1 . .
C13_2 C12_2 C32_2 135.1 . .
C11_2 C12_2 C32_2 107.0 . .
C12_2 C13_2 C14_2 107.9 . .
C12_2 C13_2 C2_2 125.9 . .
C14_2 C13_2 C2_2 116.9 . .
C34_2 C14_2 C15_2 114.2 . .
C34_2 C14_2 C13_2 123.0 . .
C15_2 C14_2 C13_2 117.0 . .
C34_2 C14_2 Sm3 73.46(11) . .
C15_2 C14_2 Sm3 68.67(13) . .
C13_2 C14_2 Sm3 103.36(11) . .
C14_2 C15_2 C16_2 126.5 . .
C14_2 C15_2 C37_2 122.4 . .
C16_2 C15_2 C37_2 106.3 . .
C14_2 C15_2 Sm1 91.24(11) . .
C16_2 C15_2 Sm1 90.81(10) . .
C37_2 C15_2 Sm1 64.59(11) . .
C14_2 C15_2 Sm3 82.82(13) . .
C16_2 C15_2 Sm3 100.18(11) . .
C37_2 C15_2 Sm3 65.51(13) . .
C14_2 C15_2 Sm7 97.2(3) . .
C16_2 C15_2 Sm7 82.9(3) . .
C37_2 C15_2 Sm7 65.8(2) . .
C17_2 C16_2 C3_2 123.3 . .
C17_2 C16_2 C15_2 111.9 . .
C3_2 C16_2 C15_2 112.7 . .
C16_2 C17_2 C18_2 119.6 . .
C16_2 C17_2 C38_2 107.9 . .
C18_2 C17_2 C38_2 124.2 . .
C16_2 C17_2 Sm7 84.2(3) . .
C18_2 C17_2 Sm7 92.6(2) . .
C38_2 C17_2 Sm7 63.7(2) . .
C16_2 C17_2 Sm1 79.29(10) . .
C18_2 C17_2 Sm1 100.04(9) . .
C38_2 C17_2 Sm1 60.70(9) . .
C41_2 C18_2 C19_2 123.6 . .
C41_2 C18_2 C17_2 112.2 . .
C19_2 C18_2 C17_2 116.9 . .
C41_2 C18_2 Sm5 62.31(13) . 6_565
C19_2 C18_2 Sm5 93.16(17) . 6_565
C17_2 C18_2 Sm5 87.95(18) . 6_565
C18_2 C19_2 C20_2 118.4 . .
C18_2 C19_2 C4_2 124.3 . .
C20_2 C19_2 C4_2 108.9 . .
C43_2 C20_2 C19_2 121.5 . .
C43_2 C20_2 C21_2 119.6 . .
C19_2 C20_2 C21_2 108.1 . .
C43_2 C20_2 Sm6 72.5(2) . 6_565
C19_2 C20_2 Sm6 94.95(19) . 6_565
C21_2 C20_2 Sm6 70.93(19) . 6_565
C43_2 C20_2 Sm4 62.17(12) . 6_565
C19_2 C20_2 Sm4 89.89(12) . 6_565
C21_2 C20_2 Sm4 87.49(12) . 6_565
C43_2 C20_2 Sm2 60.43(10) . 6_565
C19_2 C20_2 Sm2 84.77(10) . 6_565
C21_2 C20_2 Sm2 95.05(10) . 6_565
C22_2 C21_2 C20_2 116.3 . .
C22_2 C21_2 C5_2 130.7 . .
C20_2 C21_2 C5_2 107.1 . .
C22_2 C21_2 Sm6 78.0(2) . 6_565
C20_2 C21_2 Sm6 77.3(2) . 6_565
C5_2 C21_2 Sm6 90.41(19) . 6_565
C21_2 C22_2 C45_2 127.9 . .
C21_2 C22_2 C23_2 107.2 . .
C45_2 C22_2 C23_2 109.8 . .
C21_2 C22_2 Sm6 74.1(2) . 6_565
C45_2 C22_2 Sm6 70.1(2) . 6_565
C23_2 C22_2 Sm6 90.66(18) . 6_565
C21_2 C22_2 Sm6 90.70(17) . .
C45_2 C22_2 Sm6 75.8(2) . .
C23_2 C22_2 Sm6 62.4(2) . .
C24_2 C23_2 C7_2 110.7 . .
C24_2 C23_2 C22_2 107.2 . .
C7_2 C23_2 C22_2 126.5 . .
C24_2 C23_2 Sm6 67.6(2) . .
C7_2 C23_2 Sm6 73.6(2) . .
C22_2 C23_2 Sm6 87.9(2) . .
C24_2 C23_2 Sm6 84.9(2) . 6_565
C7_2 C23_2 Sm6 86.47(15) . 6_565
C22_2 C23_2 Sm6 60.78(15) . 6_565
C25_2 C24_2 C23_2 125.9 . .
C25_2 C24_2 C46_2 115.9 . .
C23_2 C24_2 C46_2 110.4 . .
C25_2 C24_2 Sm6 81.2(2) . .
C23_2 C24_2 Sm6 79.8(2) . .
C46_2 C24_2 Sm6 80.9(3) . .
C25_2 C24_2 Sm4 65.64(13) . .
C23_2 C24_2 Sm4 94.26(13) . .
C46_2 C24_2 Sm4 83.52(14) . .
C25_2 C24_2 Sm2 59.13(10) . .
C23_2 C24_2 Sm2 97.85(10) . .
C46_2 C24_2 Sm2 87.41(11) . .
C24_2 C25_2 C49_2 117.7 . .
C24_2 C25_2 C26_2 112.5 . .
C49_2 C25_2 C26_2 121.9 . .
C24_2 C25_2 Sm4 83.81(15) . .
C49_2 C25_2 Sm4 73.90(14) . .
C26_2 C25_2 Sm4 84.65(15) . .
C24_2 C25_2 Sm2 93.16(12) . .
C49_2 C25_2 Sm2 69.70(12) . .
C26_2 C25_2 Sm2 80.53(13) . .
C24_2 C25_2 Sm6 66.77(19) . .
C49_2 C25_2 Sm6 88.0(2) . .
C26_2 C25_2 Sm6 86.3(2) . .
C25_2 C26_2 C8_2 129.7 . .
C25_2 C26_2 C27_2 110.8 . .
C8_2 C26_2 C27_2 107.1 . .
C25_2 C26_2 Sm2 68.34(12) . .
C8_2 C26_2 Sm2 91.40(11) . .
C27_2 C26_2 Sm2 75.16(12) . .
C25_2 C26_2 Sm4 64.26(13) . .
C8_2 C26_2 Sm4 88.67(12) . .
C27_2 C26_2 Sm4 83.92(14) . .
C25_2 C26_2 Sm6 64.02(19) . .
C8_2 C26_2 Sm6 78.5(2) . .
C27_2 C26_2 Sm6 99.03(17) . .
C51_2 C27_2 C28_2 109.3 . .
C51_2 C27_2 C26_2 134.3 . .
C28_2 C27_2 C26_2 105.1 . .
C51_2 C27_2 Sm5 64.93(16) . .
C28_2 C27_2 Sm5 83.65(18) . .
C26_2 C27_2 Sm5 90.56(19) . .
C51_2 C27_2 Sm2 73.32(12) . .
C28_2 C27_2 Sm2 97.03(11) . .
C26_2 C27_2 Sm2 73.50(12) . .
C51_2 C27_2 Sm4 79.28(12) . .
C28_2 C27_2 Sm4 98.52(12) . .
C26_2 C27_2 Sm4 66.58(13) . .
C9_2 C28_2 C29_2 110.7 . .
C9_2 C28_2 C27_2 109.3 . .
C29_2 C28_2 C27_2 129.0 . .
C9_2 C28_2 Sm5 90.68(15) . .
C29_2 C28_2 Sm5 83.02(19) . .
C27_2 C28_2 Sm5 66.24(16) . .
C53_2 C29_2 C30_2 119.0 . .
C53_2 C29_2 C28_2 119.8 . .
C30_2 C29_2 C28_2 114.0 . .
C53_2 C29_2 Sm7 71.6(3) . 6_565
C30_2 C29_2 Sm7 77.5(3) . 6_565
C28_2 C29_2 Sm7 94.8(3) . 6_565
C53_2 C29_2 Sm1 71.37(11) . 6_565
C30_2 C29_2 Sm1 70.97(12) . 6_565
C28_2 C29_2 Sm1 102.43(11) . 6_565
C29_2 C30_2 C31_2 110.3 . .
C29_2 C30_2 C11_2 133.7 . .
C31_2 C30_2 C11_2 108.1 . .
C29_2 C30_2 Sm1 79.59(13) . 6_565
C31_2 C30_2 Sm1 69.97(12) . 6_565
C11_2 C30_2 Sm1 90.43(12) . 6_565
C29_2 C30_2 Sm7 72.4(3) . 6_565
C31_2 C30_2 Sm7 78.1(3) . 6_565
C11_2 C30_2 Sm7 91.6(3) . 6_565
C29_2 C30_2 Sm3 87.01(13) . 6_565
C31_2 C30_2 Sm3 62.49(11) . 6_565
C11_2 C30_2 Sm3 88.65(13) . 6_565
C55_2 C31_2 C30_2 131.1 . .
C55_2 C31_2 C32_2 109.4 . .
C30_2 C31_2 C32_2 108.2 . .
C55_2 C31_2 Sm1 71.66(12) . 6_565
C30_2 C31_2 Sm1 78.46(13) . 6_565
C32_2 C31_2 Sm1 89.63(13) . 6_565
C55_2 C31_2 Sm3 67.72(14) . 6_565
C30_2 C31_2 Sm3 88.16(14) . 6_565
C32_2 C31_2 Sm3 81.74(15) . 6_565
C55_2 C31_2 Sm7 74.5(3) . 6_565
C30_2 C31_2 Sm7 71.8(3) . 6_565
C32_2 C31_2 Sm7 95.5(3) . 6_565
C33_2 C32_2 C31_2 132.4 . .
C33_2 C32_2 C12_2 109.8 . .
C31_2 C32_2 C12_2 107.4 . .
C33_2 C32_2 Sm3 84.90(14) . 6_565
C31_2 C32_2 Sm3 66.84(14) . 6_565
C12_2 C32_2 Sm3 89.33(12) . 6_565
C33_2 C32_2 Sm1 94.12(11) . 6_565
C31_2 C32_2 Sm1 60.51(10) . 6_565
C12_2 C32_2 Sm1 85.26(10) . 6_565
C32_2 C33_2 C57_2 110.9 . .
C32_2 C33_2 C34_2 127.9 . .
C57_2 C33_2 C34_2 110.7 . .
C32_2 C33_2 Sm3 69.44(13) . 6_565
C57_2 C33_2 Sm3 66.79(12) . 6_565
C34_2 C33_2 Sm3 100.49(12) . 6_565
C14_2 C34_2 C35_2 125.1 . .
C14_2 C34_2 C33_2 116.1 . .
C35_2 C34_2 C33_2 108.2 . .
C14_2 C34_2 Sm3 78.42(12) . .
C35_2 C34_2 Sm3 61.50(11) . .
C33_2 C34_2 Sm3 101.98(13) . .
C36_2 C35_2 C58_2 126.8 . .
C36_2 C35_2 C34_2 117.4 . .
C58_2 C35_2 C34_2 106.7 . .
C36_2 C35_2 Sm3 64.34(15) . .
C58_2 C35_2 Sm3 89.44(15) . .
C34_2 C35_2 Sm3 88.97(14) . .
C36_2 C35_2 Sm1 58.24(10) . .
C58_2 C35_2 Sm1 96.35(10) . .
C34_2 C35_2 Sm1 88.98(10) . .
C35_2 C36_2 C65_2 116.0 . .
C35_2 C36_2 C37_2 120.8 . .
C65_2 C36_2 C37_2 114.8 . .
C35_2 C36_2 Sm3 82.75(16) . .
C65_2 C36_2 Sm3 75.88(15) . .
C37_2 C36_2 Sm3 81.91(16) . .
C35_2 C36_2 Sm1 92.96(12) . .
C65_2 C36_2 Sm1 75.04(12) . .
C37_2 C36_2 Sm1 72.76(12) . .
C35_2 C36_2 Sm7 99.2(3) . .
C65_2 C36_2 Sm7 73.1(3) . .
C37_2 C36_2 Sm7 68.9(3) . .
C36_2 C37_2 C15_2 118.2 . .
C36_2 C37_2 C38_2 123.1 . .
C15_2 C37_2 C38_2 106.7 . .
C36_2 C37_2 Sm1 73.21(12) . .
C15_2 C37_2 Sm1 83.20(12) . .
C38_2 C37_2 Sm1 79.75(12) . .
C36_2 C37_2 Sm3 64.08(13) . .
C15_2 C37_2 Sm3 83.30(14) . .
C38_2 C37_2 Sm3 90.15(13) . .
C36_2 C37_2 Sm7 80.3(3) . .
C15_2 C37_2 Sm7 84.0(3) . .
C38_2 C37_2 Sm7 71.3(3) . .
C39_2 C38_2 C17_2 119.0 . .
C39_2 C38_2 C37_2 121.2 . .
C17_2 C38_2 C37_2 106.8 . .
C39_2 C38_2 Sm7 73.5(3) . .
C17_2 C38_2 Sm7 85.7(3) . .
C37_2 C38_2 Sm7 75.5(3) . .
C39_2 C38_2 Sm1 77.79(11) . .
C17_2 C38_2 Sm1 90.48(11) . .
C37_2 C38_2 Sm1 66.53(10) . .
C39_2 C38_2 Sm3 80.36(12) . .
C17_2 C38_2 Sm3 95.43(11) . .
C37_2 C38_2 Sm3 59.62(11) . .
C40_2 C39_2 C64_2 117.4 . .
C40_2 C39_2 C38_2 117.2 . .
C64_2 C39_2 C38_2 115.5 . .
C40_2 C39_2 Sm7 89.5(2) . .
C64_2 C39_2 Sm7 74.7(3) . .
C38_2 C39_2 Sm7 74.2(3) . .
C40_2 C39_2 Sm1 97.86(10) . .
C64_2 C39_2 Sm1 69.75(11) . .
C38_2 C39_2 Sm1 71.35(11) . .
C40_2 C39_2 Sm5 58.83(15) . 6_565
C64_2 C39_2 Sm5 88.91(15) . 6_565
C38_2 C39_2 Sm5 91.57(14) . 6_565
C39_2 C40_2 C63_2 121.0 . .
C39_2 C40_2 C41_2 119.2 . .
C63_2 C40_2 C41_2 111.2 . .
C39_2 C40_2 Sm5 91.7(2) . 6_565
C63_2 C40_2 Sm5 70.82(17) . 6_565
C41_2 C40_2 Sm5 77.16(19) . 6_565
C39_2 C40_2 Sm7 61.8(2) . .
C63_2 C40_2 Sm7 89.7(2) . .
C41_2 C40_2 Sm7 91.0(2) . .
C39_2 C40_2 Sm2 107.26(9) . 6_565
C63_2 C40_2 Sm2 65.29(10) . 6_565
C41_2 C40_2 Sm2 67.79(10) . 6_565
C18_2 C41_2 C40_2 127.0 . .
C18_2 C41_2 C42_2 117.1 . .
C40_2 C41_2 C42_2 105.4 . .
C18_2 C41_2 Sm5 89.29(15) . 6_565
C40_2 C41_2 Sm5 69.27(18) . 6_565
C42_2 C41_2 Sm5 78.1(2) . 6_565
C18_2 C41_2 Sm2 90.40(10) . 6_565
C40_2 C41_2 Sm2 83.64(10) . 6_565
C42_2 C41_2 Sm2 60.79(10) . 6_565
C43_2 C42_2 C62_2 122.4 . .
C43_2 C42_2 C41_2 120.7 . .
C62_2 C42_2 C41_2 106.8 . .
C43_2 C42_2 Sm2 79.55(12) . 6_565
C62_2 C42_2 Sm2 72.41(12) . 6_565
C41_2 C42_2 Sm2 86.46(12) . 6_565
C43_2 C42_2 Sm4 70.95(13) . 6_565
C62_2 C42_2 Sm4 76.46(13) . 6_565
C41_2 C42_2 Sm4 92.70(13) . 6_565
C43_2 C42_2 Sm5 96.59(17) . 6_565
C62_2 C42_2 Sm5 71.37(15) . 6_565
C41_2 C42_2 Sm5 68.32(18) . 6_565
C42_2 C43_2 C20_2 118.2 . .
C42_2 C43_2 C44_2 115.5 . .
C20_2 C43_2 C44_2 117.2 . .
C42_2 C43_2 Sm4 77.98(14) . 6_565
C20_2 C43_2 Sm4 87.87(13) . 6_565
C44_2 C43_2 Sm4 73.79(14) . 6_565
C42_2 C43_2 Sm2 68.69(12) . 6_565
C20_2 C43_2 Sm2 90.78(11) . 6_565
C44_2 C43_2 Sm2 80.37(12) . 6_565
C42_2 C43_2 Sm6 95.67(18) . 6_565
C20_2 C43_2 Sm6 76.4(2) . 6_565
C44_2 C43_2 Sm6 68.3(2) . 6_565
C45_2 C44_2 C60_2 113.7 . .
C45_2 C44_2 C43_2 120.5 . .
C60_2 C44_2 C43_2 118.4 . .
C45_2 C44_2 Sm6 75.9(2) . 6_565
C60_2 C44_2 Sm6 88.4(2) . 6_565
C43_2 C44_2 Sm6 78.7(3) . 6_565
C45_2 C44_2 Sm4 93.92(14) . 6_565
C60_2 C44_2 Sm4 76.76(14) . 6_565
C43_2 C44_2 Sm4 72.65(15) . 6_565
C45_2 C44_2 Sm2 102.01(11) . 6_565
C60_2 C44_2 Sm2 74.48(11) . 6_565
C43_2 C44_2 Sm2 67.89(12) . 6_565
C44_2 C45_2 C22_2 115.8 . .
C44_2 C45_2 C46_2 128.4 . .
C22_2 C45_2 C46_2 107.0 . .
C44_2 C45_2 Sm6 72.39(19) . 6_565
C22_2 C45_2 Sm6 78.4(2) . 6_565
C46_2 C45_2 Sm6 90.3(2) . 6_565
C44_2 C45_2 Sm6 99.32(18) . .
C22_2 C45_2 Sm6 76.3(2) . .
C46_2 C45_2 Sm6 63.76(16) . .
C44_2 C45_2 Sm4 58.53(12) . 6_565
C22_2 C45_2 Sm4 89.27(11) . 6_565
C46_2 C45_2 Sm4 96.29(13) . 6_565
C47_2 C46_2 C24_2 131.4 . .
C47_2 C46_2 C45_2 111.4 . .
C24_2 C46_2 C45_2 105.5 . .
C47_2 C46_2 Sm6 86.1(2) . .
C24_2 C46_2 Sm6 66.4(2) . .
C45_2 C46_2 Sm6 85.18(19) . .
C47_2 C46_2 Sm4 75.89(13) . .
C24_2 C46_2 Sm4 67.59(13) . .
C45_2 C46_2 Sm4 99.56(12) . .
C47_2 C46_2 Sm6 85.6(2) . 6_565
C24_2 C46_2 Sm6 87.28(17) . 6_565
C45_2 C46_2 Sm6 59.05(17) . 6_565
C46_2 C47_2 C59_2 124.4 . .
C46_2 C47_2 C48_2 109.3 . .
C59_2 C47_2 C48_2 118.0 . .
C46_2 C47_2 Sm6 65.69(18) . .
C59_2 C47_2 Sm6 97.15(18) . .
C48_2 C47_2 Sm6 77.53(18) . .
C46_2 C47_2 Sm4 77.40(13) . .
C59_2 C47_2 Sm4 99.81(13) . .
C48_2 C47_2 Sm4 62.20(12) . .
C75_2 C48_2 C47_2 120.4 . .
C75_2 C48_2 C49_2 108.6 . .
C47_2 C48_2 C49_2 124.4 . .
C75_2 C48_2 Sm4 84.17(15) . .
C47_2 C48_2 Sm4 88.96(14) . .
C49_2 C48_2 Sm4 70.75(14) . .
C75_2 C48_2 Sm2 78.35(13) . .
C47_2 C48_2 Sm2 97.93(12) . .
C49_2 C48_2 Sm2 66.75(12) . .
C75_2 C48_2 Sm6 96.05(16) . .
C47_2 C48_2 Sm6 74.16(19) . .
C49_2 C48_2 Sm6 76.3(2) . .
C25_2 C49_2 C48_2 119.0 . .
C25_2 C49_2 C50_2 118.5 . .
C48_2 C49_2 C50_2 106.3 . .
C25_2 C49_2 Sm2 77.78(14) . .
C48_2 C49_2 Sm2 80.46(13) . .
C50_2 C49_2 Sm2 70.92(13) . .
C25_2 C49_2 Sm4 73.24(15) . .
C48_2 C49_2 Sm4 76.00(15) . .
C50_2 C49_2 Sm4 80.52(15) . .
C25_2 C49_2 Sm6 62.9(2) . .
C48_2 C49_2 Sm6 74.6(2) . .
C50_2 C49_2 Sm6 94.99(16) . .
C74_2 C50_2 C51_2 118.1 . .
C74_2 C50_2 C49_2 106.9 . .
C51_2 C50_2 C49_2 127.0 . .
C74_2 C50_2 Sm2 82.24(14) . .
C51_2 C50_2 Sm2 85.17(14) . .
C49_2 C50_2 Sm2 74.11(13) . .
C74_2 C50_2 Sm5 80.11(17) . .
C51_2 C50_2 Sm5 68.44(18) . .
C49_2 C50_2 Sm5 94.8(2) . .
C74_2 C50_2 Sm4 83.74(14) . .
C51_2 C50_2 Sm4 90.79(14) . .
C49_2 C50_2 Sm4 66.82(14) . .
C52_2 C51_2 C27_2 120.7 . .
C52_2 C51_2 C50_2 126.5 . .
C27_2 C51_2 C50_2 106.0 . .
C52_2 C51_2 Sm5 83.3(2) . .
C27_2 C51_2 Sm5 82.79(19) . .
C50_2 C51_2 Sm5 78.0(2) . .
C52_2 C51_2 Sm2 102.36(12) . .
C27_2 C51_2 Sm2 76.59(12) . .
C50_2 C51_2 Sm2 63.10(12) . .
C51_2 C52_2 C72_2 105.4 . .
C51_2 C52_2 C53_2 126.4 . .
C72_2 C52_2 C53_2 114.7 . .
C51_2 C52_2 Sm5 65.05(19) . .
C72_2 C52_2 Sm5 78.80(16) . .
C53_2 C52_2 Sm5 88.83(18) . .
C51_2 C52_2 Sm7 92.9(2) . 6_565
C72_2 C52_2 Sm7 80.8(3) . 6_565
C53_2 C52_2 Sm7 61.7(2) . 6_565
C29_2 C53_2 C52_2 114.2 . .
C29_2 C53_2 C54_2 129.7 . .
C52_2 C53_2 C54_2 105.7 . .
C29_2 C53_2 Sm7 78.2(3) . 6_565
C52_2 C53_2 Sm7 88.4(3) . 6_565
C54_2 C53_2 Sm7 73.4(3) . 6_565
C29_2 C53_2 Sm1 79.92(12) . 6_565
C52_2 C53_2 Sm1 95.69(12) . 6_565
C54_2 C53_2 Sm1 66.43(12) . 6_565
C29_2 C53_2 Sm3 83.87(12) . 6_565
C52_2 C53_2 Sm3 99.86(12) . 6_565
C54_2 C53_2 Sm3 59.50(11) . 6_565
C29_2 C53_2 Sm5 79.46(15) . .
C52_2 C53_2 Sm5 62.45(14) . .
C54_2 C53_2 Sm5 93.72(16) . .
C55_2 C54_2 C71_2 141.9 . .
C55_2 C54_2 C53_2 109.0 . .
C71_2 C54_2 C53_2 101.6 . .
C55_2 C54_2 Sm1 74.55(13) . 6_565
C71_2 C54_2 Sm1 89.80(12) . 6_565
C53_2 C54_2 Sm1 79.43(13) . 6_565
C55_2 C54_2 Sm7 82.8(3) . 6_565
C71_2 C54_2 Sm7 85.8(3) . 6_565
C53_2 C54_2 Sm7 72.0(3) . 6_565
C55_2 C54_2 Sm3 67.91(14) . 6_565
C71_2 C54_2 Sm3 90.53(14) . 6_565
C53_2 C54_2 Sm3 89.92(14) . 6_565
C54_2 C55_2 C31_2 117.6 . .
C54_2 C55_2 C56_2 104.1 . .
C31_2 C55_2 C56_2 125.5 . .
C54_2 C55_2 Sm3 80.32(16) . 6_565
C31_2 C55_2 Sm3 79.47(15) . 6_565
C56_2 C55_2 Sm3 74.42(16) . 6_565
C54_2 C55_2 Sm1 73.40(13) . 6_565
C31_2 C55_2 Sm1 75.75(13) . 6_565
C56_2 C55_2 Sm1 84.94(13) . 6_565
C54_2 C55_2 Sm7 67.5(3) . 6_565
C31_2 C55_2 Sm7 75.7(3) . 6_565
C56_2 C55_2 Sm7 90.8(3) . 6_565
C57_2 C56_2 C69_2 119.4 . .
C57_2 C56_2 C55_2 110.1 . .
C69_2 C56_2 C55_2 122.1 . .
C57_2 C56_2 Sm3 84.87(16) . 6_565
C69_2 C56_2 Sm3 85.16(15) . 6_565
C55_2 C56_2 Sm3 70.78(16) . 6_565
C57_2 C56_2 Sm1 91.16(12) . 6_565
C69_2 C56_2 Sm1 86.64(11) . 6_565
C55_2 C56_2 Sm1 63.46(11) . 6_565
C56_2 C57_2 C33_2 130.6 . .
C56_2 C57_2 C58_2 117.3 . .
C33_2 C57_2 C58_2 104.1 . .
C56_2 C57_2 Sm3 64.82(14) . 6_565
C33_2 C57_2 Sm3 84.78(14) . 6_565
C58_2 C57_2 Sm3 97.96(14) . 6_565
C67_2 C58_2 C35_2 117.2 . .
C67_2 C58_2 C57_2 122.3 . .
C35_2 C58_2 C57_2 110.0 . .
C67_2 C58_2 Sm3 76.49(12) . .
C35_2 C58_2 Sm3 61.24(13) . .
C57_2 C58_2 Sm3 100.52(12) . .
C47_2 C59_2 C60_2 120.7 . .
C47_2 C59_2 C77_2 120.6 . .
C60_2 C59_2 C77_2 108.8 . .
C47_2 C59_2 Sm4 94.56(11) . 6_565
C60_2 C59_2 Sm4 59.57(12) . 6_565
C77_2 C59_2 Sm4 83.35(12) . 6_565
C44_2 C60_2 C59_2 120.9 . .
C44_2 C60_2 C61_2 122.4 . .
C59_2 C60_2 C61_2 105.8 . .
C44_2 C60_2 Sm4 71.29(14) . 6_565
C59_2 C60_2 Sm4 92.24(14) . 6_565
C61_2 C60_2 Sm4 75.28(13) . 6_565
C44_2 C60_2 Sm2 75.45(11) . 6_565
C59_2 C60_2 Sm2 96.73(12) . 6_565
C61_2 C60_2 Sm2 66.83(11) . 6_565
C44_2 C60_2 Sm6 61.61(18) . 6_565
C59_2 C60_2 Sm6 86.7(2) . 6_565
C61_2 C60_2 Sm6 91.78(17) . 6_565
C62_2 C61_2 C60_2 115.6 . .
C62_2 C61_2 C78_2 124.0 . .
C60_2 C61_2 C78_2 110.7 . .
C62_2 C61_2 Sm2 70.27(13) . 6_565
C60_2 C61_2 Sm2 81.35(12) . 6_565
C78_2 C61_2 Sm2 87.95(12) . 6_565
C62_2 C61_2 Sm4 76.98(14) . 6_565
C60_2 C61_2 Sm4 72.59(13) . 6_565
C78_2 C61_2 Sm4 88.92(14) . 6_565
C62_2 C61_2 Sm5 60.70(13) . 6_565
C60_2 C61_2 Sm5 98.35(16) . 6_565
C78_2 C61_2 Sm5 83.52(14) . 6_565
C61_2 C62_2 C42_2 125.0 . .
C61_2 C62_2 C63_2 114.7 . .
C42_2 C62_2 C63_2 110.1 . .
C61_2 C62_2 Sm2 80.01(13) . 6_565
C42_2 C62_2 Sm2 73.57(12) . 6_565
C63_2 C62_2 Sm2 85.20(12) . 6_565
C61_2 C62_2 Sm5 93.93(17) . 6_565
C42_2 C62_2 Sm5 77.38(16) . 6_565
C63_2 C62_2 Sm5 65.10(19) . 6_565
C61_2 C62_2 Sm4 75.20(14) . 6_565
C42_2 C62_2 Sm4 72.28(14) . 6_565
C63_2 C62_2 Sm4 92.91(13) . 6_565
C40_2 C63_2 C80_2 120.8 . .
C40_2 C63_2 C62_2 105.8 . .
C80_2 C63_2 C62_2 124.0 . .
C40_2 C63_2 Sm5 74.78(18) . 6_565
C80_2 C63_2 Sm5 82.84(18) . 6_565
C62_2 C63_2 Sm5 81.0(2) . 6_565
C40_2 C63_2 Sm2 86.31(11) . 6_565
C80_2 C63_2 Sm2 89.88(11) . 6_565
C62_2 C63_2 Sm2 62.41(10) . 6_565
C39_2 C64_2 C81_2 123.2 . .
C39_2 C64_2 C65_2 123.3 . .
C81_2 C64_2 C65_2 101.5 . .
C39_2 C64_2 Sm7 73.2(3) . .
C81_2 C64_2 Sm7 84.3(3) . .
C65_2 C64_2 Sm7 79.2(3) . .
C39_2 C64_2 Sm1 79.31(12) . .
C81_2 C64_2 Sm1 86.42(11) . .
C65_2 C64_2 Sm1 69.83(11) . .
C39_2 C64_2 Sm3 88.41(13) . .
C81_2 C64_2 Sm3 84.58(13) . .
C65_2 C64_2 Sm3 60.88(11) . .
C36_2 C65_2 C66_2 117.3 . .
C36_2 C65_2 C64_2 121.9 . .
C66_2 C65_2 C64_2 109.4 . .
C36_2 C65_2 Sm3 69.08(14) . .
C66_2 C65_2 Sm3 81.62(16) . .
C64_2 C65_2 Sm3 86.55(14) . .
C36_2 C65_2 Sm1 71.69(11) . .
C66_2 C65_2 Sm1 89.49(12) . .
C64_2 C65_2 Sm1 76.47(12) . .
C36_2 C65_2 Sm7 76.9(2) . .
C66_2 C65_2 Sm7 92.3(3) . .
C64_2 C65_2 Sm7 68.5(3) . .
C82_2 C66_2 C67_2 119.0 . .
C82_2 C66_2 C65_2 108.7 . .
C67_2 C66_2 C65_2 123.3 . .
C82_2 C66_2 Sm3 88.04(12) . .
C67_2 C66_2 Sm3 86.95(14) . .
C65_2 C66_2 Sm3 65.06(14) . .
C82_2 C66_2 Sm1 83.59(9) . .
C67_2 C66_2 Sm1 95.42(10) . .
C65_2 C66_2 Sm1 60.23(10) . .
C58_2 C67_2 C68_2 117.5 . .
C58_2 C67_2 C66_2 119.0 . .
C68_2 C67_2 C66_2 115.9 . .
C58_2 C67_2 Sm3 76.18(12) . .
C68_2 C67_2 Sm3 104.00(12) . .
C66_2 C67_2 Sm3 64.15(13) . .
C67_2 C68_2 C69_2 121.7 . .
C67_2 C68_2 C84_2 123.0 . .
C69_2 C68_2 C84_2 105.7 . .
C56_2 C69_2 C68_2 121.4 . .
C56_2 C69_2 C70_2 118.3 . .
C68_2 C69_2 C70_2 110.8 . .
C56_2 C69_2 Sm3 63.87(13) . 6_565
C68_2 C69_2 Sm3 95.71(13) . 6_565
C70_2 C69_2 Sm3 81.31(14) . 6_565
C56_2 C69_2 Sm1 65.72(10) . 6_565
C68_2 C69_2 Sm1 101.05(9) . 6_565
C70_2 C69_2 Sm1 74.48(11) . 6_565
C71_2 C70_2 C85_2 119.3 . .
C71_2 C70_2 C69_2 126.4 . .
C85_2 C70_2 C69_2 105.8 . .
C71_2 C70_2 Sm3 79.19(14) . 6_565
C85_2 C70_2 Sm3 95.10(12) . 6_565
C69_2 C70_2 Sm3 68.84(12) . 6_565
C71_2 C70_2 Sm1 70.70(11) . 6_565
C85_2 C70_2 Sm1 95.92(9) . 6_565
C69_2 C70_2 Sm1 77.56(11) . 6_565
C70_2 C71_2 C54_2 106.6 . .
C70_2 C71_2 C72_2 124.9 . .
C54_2 C71_2 C72_2 118.2 . .
C70_2 C71_2 Sm7 90.0(3) . 6_565
C54_2 C71_2 Sm7 64.5(2) . 6_565
C72_2 C71_2 Sm7 82.4(3) . 6_565
C70_2 C71_2 Sm1 84.23(11) . 6_565
C54_2 C71_2 Sm1 60.59(10) . 6_565
C72_2 C71_2 Sm1 90.85(11) . 6_565
C70_2 C71_2 Sm3 75.55(13) . 6_565
C54_2 C71_2 Sm3 60.91(12) . 6_565
C72_2 C71_2 Sm3 98.91(12) . 6_565
C52_2 C72_2 C73_2 138.2 . .
C52_2 C72_2 C71_2 98.6 . .
C73_2 C72_2 C71_2 113.1 . .
C52_2 C72_2 Sm5 70.78(15) . .
C73_2 C72_2 Sm5 78.61(16) . .
C71_2 C72_2 Sm5 97.18(18) . .
C52_2 C72_2 Sm7 71.3(3) . 6_565
C73_2 C72_2 Sm7 94.8(2) . 6_565
C71_2 C72_2 Sm7 68.8(2) . 6_565
C74_2 C73_2 C72_2 106.6 . .
C74_2 C73_2 C86_2 119.8 . .
C72_2 C73_2 C86_2 125.4 . .
C74_2 C73_2 Sm5 69.56(19) . .
C72_2 C73_2 Sm5 71.76(17) . .
C86_2 C73_2 Sm5 97.84(14) . .
C73_2 C74_2 C75_2 121.4 . .
C73_2 C74_2 C50_2 123.3 . .
C75_2 C74_2 C50_2 107.8 . .
C73_2 C74_2 Sm2 97.93(12) . .
C75_2 C74_2 Sm2 77.82(12) . .
C50_2 C74_2 Sm2 65.36(12) . .
C73_2 C74_2 Sm5 80.6(2) . .
C75_2 C74_2 Sm5 94.99(18) . .
C50_2 C74_2 Sm5 68.24(16) . .
C73_2 C74_2 Sm4 102.73(12) . .
C75_2 C74_2 Sm4 71.20(13) . .
C50_2 C74_2 Sm4 66.95(13) . .
C48_2 C75_2 C76_2 123.1 . .
C48_2 C75_2 C74_2 110.2 . .
C76_2 C75_2 C74_2 118.6 . .
C48_2 C75_2 Sm2 72.10(12) . .
C76_2 C75_2 Sm2 96.90(11) . .
C74_2 C75_2 Sm2 71.41(12) . .
C48_2 C75_2 Sm4 66.54(13) . .
C76_2 C75_2 Sm4 94.44(13) . .
C74_2 C75_2 Sm4 79.87(13) . .
C77_2 C76_2 C75_2 115.6 . .
C77_2 C76_2 C87_2 120.1 . .
C75_2 C76_2 C87_2 119.5 . .
C76_2 C77_2 C78_2 120.8 . .
C76_2 C77_2 C59_2 121.1 . .
C78_2 C77_2 C59_2 109.8 . .
C79_2 C78_2 C77_2 121.1 . .
C79_2 C78_2 C61_2 124.2 . .
C77_2 C78_2 C61_2 104.5 . .
C79_2 C78_2 Sm2 84.86(10) . 6_565
C77_2 C78_2 Sm2 92.12(11) . 6_565
C61_2 C78_2 Sm2 61.52(10) . 6_565
C79_2 C78_2 Sm4 90.62(11) . 6_565
C77_2 C78_2 Sm4 84.43(12) . 6_565
C61_2 C78_2 Sm4 61.83(12) . 6_565
C78_2 C79_2 C88_2 118.5 . .
C78_2 C79_2 C80_2 113.6 . .
C88_2 C79_2 C80_2 123.9 . .
C78_2 C79_2 Sm5 85.11(18) . 6_565
C88_2 C79_2 Sm5 102.58(13) . 6_565
C80_2 C79_2 Sm5 62.30(15) . 6_565
C81_2 C80_2 C63_2 119.0 . .
C81_2 C80_2 C79_2 116.2 . .
C63_2 C80_2 C79_2 118.0 . .
C81_2 C80_2 Sm5 92.43(19) . 6_565
C63_2 C80_2 Sm5 64.21(15) . 6_565
C79_2 C80_2 Sm5 87.84(17) . 6_565
C80_2 C81_2 C82_2 122.7 . .
C80_2 C81_2 C64_2 117.3 . .
C82_2 C81_2 C64_2 112.9 . .
C80_2 C81_2 Sm7 88.0(2) . .
C82_2 C81_2 Sm7 89.2(3) . .
C64_2 C81_2 Sm7 65.2(2) . .
C80_2 C81_2 Sm1 95.87(9) . .
C82_2 C81_2 Sm1 82.61(10) . .
C64_2 C81_2 Sm1 63.74(10) . .
C80_2 C81_2 Sm3 102.58(10) . .
C82_2 C81_2 Sm3 73.57(12) . .
C64_2 C81_2 Sm3 66.63(12) . .
C80_2 C81_2 Sm5 59.57(15) . 6_565
C82_2 C81_2 Sm5 105.04(12) . 6_565
C64_2 C81_2 Sm5 81.00(15) . 6_565
C66_2 C82_2 C83_2 127.0 . .
C66_2 C82_2 C81_2 107.3 . .
C83_2 C82_2 C81_2 117.9 . .
C66_2 C82_2 Sm3 63.98(10) . .
C83_2 C82_2 Sm3 98.59(12) . .
C81_2 C82_2 Sm3 78.39(13) . .
C84_2 C83_2 C82_2 112.4 . .
C84_2 C83_2 C88_2 120.5 . .
C82_2 C83_2 C88_2 122.8 . .
C83_2 C84_2 C85_2 120.0 . .
C83_2 C84_2 C68_2 120.8 . .
C85_2 C84_2 C68_2 109.9 . .
C86_2 C85_2 C84_2 120.5 . .
C86_2 C85_2 C70_2 125.3 . .
C84_2 C85_2 C70_2 107.7 . .
C85_2 C86_2 C87_2 121.0 . .
C85_2 C86_2 C73_2 111.7 . .
C87_2 C86_2 C73_2 117.4 . .
C86_2 C87_2 C88_2 121.2 . .
C86_2 C87_2 C76_2 122.1 . .
C88_2 C87_2 C76_2 114.6 . .
C79_2 C88_2 C87_2 124.7 . .
C79_2 C88_2 C83_2 116.0 . .
C87_2 C88_2 C83_2 116.3 . .
N1 Ni1 N3 178.81(9) . .
N1 Ni1 N2 90.01(5) . .
N3 Ni1 N2 89.97(5) . .
N1 Ni1 N2 90.01(5) . 6_565
N3 Ni1 N2 89.97(5) . 6_565
N2 Ni1 N2 177.82(9) . 6_565
C96 N1 C96 104.1(2) 6_565 .
C96 N1 Ni1 127.96(11) 6_565 .
C96 N1 Ni1 127.96(11) . .
C101 N2 C98 104.25(17) . .
C101 N2 Ni1 127.87(13) . .
C98 N2 Ni1 127.87(13) . .
C103 N3 C103 104.4(2) 6_565 .
C103 N3 Ni1 127.77(11) 6_565 .
C103 N3 Ni1 127.77(11) . .
C95 C95 C96 106.44(12) 6_565 .
C95 C95 C105 128.65(12) 6_565 .
C96 C95 C105 124.8(2) . .
N1 C96 C97 125.24(17) . .
N1 C96 C95 111.52(19) . .
C97 C96 C95 123.24(19) . .
C98 C97 C96 123.90(19) . .
C98 C97 H97 118.1 . .
C96 C97 H97 118.0 . .
N2 C98 C97 124.98(19) . .
N2 C98 C99 111.52(17) . .
C97 C98 C99 123.50(19) . .
C100 C99 C98 106.40(18) . .
C100 C99 C107 128.8(2) . .
C98 C99 C107 124.75(19) . .
C99 C100 C101 106.20(18) . .
C99 C100 C109 129.1(2) . .
C101 C100 C109 124.66(19) . .
N2 C101 C102 125.01(19) . .
N2 C101 C100 111.62(17) . .
C102 C101 C100 123.37(19) . .
C103 C102 C101 123.90(19) . .
C103 C102 H102 118.1 . .
C101 C102 H102 118.1 . .
C102 C103 N3 125.43(17) . .
C102 C103 C104 123.13(18) . .
N3 C103 C104 111.42(18) . .
C104 C104 C103 106.40(12) 6_565 .
C104 C104 C111 128.68(12) 6_565 .
C103 C104 C111 124.69(19) . .
C95 C105 C106 113.24(18) . .
C95 C105 H10A 108.9 . .
C106 C105 H10A 108.9 . .
C95 C105 H10B 108.9 . .
C106 C105 H10B 108.9 . .
H10A C105 H10B 107.7 . .
C105 C106 H10C 109.5 . .
C105 C106 H10D 109.5 . .
H10C C106 H10D 109.5 . .
C105 C106 H10E 109.5 . .
H10C C106 H10E 109.5 . .
H10D C106 H10E 109.5 . .
C99 C107 C108 113.1(2) . .
C99 C107 H10F 109.0 . .
C108 C107 H10F 109.0 . .
C99 C107 H10G 109.0 . .
C108 C107 H10G 109.0 . .
H10F C107 H10G 107.8 . .
C107 C108 H10H 109.5 . .
C107 C108 H10I 109.5 . .
H10H C108 H10I 109.5 . .
C107 C108 H10J 109.5 . .
H10H C108 H10J 109.5 . .
H10I C108 H10J 109.5 . .
C100 C109 C110 112.9(2) . .
C100 C109 H10K 109.0 . .
C110 C109 H10K 109.0 . .
C100 C109 H10L 109.0 . .
C110 C109 H10L 109.0 . .
H10K C109 H10L 107.8 . .
C109 C110 H11A 109.5 . .
C109 C110 H11B 109.5 . .
H11A C110 H11B 109.5 . .
C109 C110 H11C 109.5 . .
H11A C110 H11C 109.5 . .
H11B C110 H11C 109.5 . .
C104 C111 C112 111.48(17) . .
C104 C111 H11D 109.3 . .
C112 C111 H11D 109.3 . .
C104 C111 H11E 109.3 . .
C112 C111 H11E 109.3 . .
H11D C111 H11E 108.0 . .
C111 C112 H11F 109.5 . .
C111 C112 H11G 109.5 . .
H11F C112 H11G 109.5 . .
C111 C112 H11H 109.5 . .
H11F C112 H11H 109.5 . .
H11G C112 H11H 109.5 . .
C118 C113 C114 115.8(8) . .
C118 C113 C119 120.9(9) . .
C114 C113 C119 123.2(8) . .
C115 C114 C113 122.7(7) . .
C115 C114 H114 118.6 . .
C113 C114 H114 118.6 . .
C114 C115 C116 121.5(8) . .
C114 C115 H115 119.3 . .
C116 C115 H115 119.3 . .
C115 C116 C117 116.7(8) . .
C115 C116 H116 121.7 . .
C117 C116 H116 121.7 . .
C118 C117 C116 121.9(7) . .
C118 C117 H117 119.1 . .
C116 C117 H117 119.1 . .
C113 C118 C117 121.4(8) . .
C113 C118 H118 119.3 . .
C117 C118 H118 119.3 . .
C113 C119 H11I 109.5 . .
C113 C119 H11J 109.5 . .
H11I C119 H11J 109.5 . .
C113 C119 H11K 109.5 . .
H11I C119 H11K 109.5 . .
H11J C119 H11K 109.5 . .
C125 C120 C121 117.5(8) . .
C125 C120 C126 119.1(10) . .
C121 C120 C126 123.3(10) . .
C122 C121 C120 121.8(10) . .
C122 C121 H121 119.1 . .
C120 C121 H121 119.1 . .
C121 C122 C123 120.6(12) . .
C121 C122 H122 119.7 . .
C123 C122 H122 119.7 . .
C121 C122 H13A 101.5 . .
C122 C123 C124 117.9(10) . .
C122 C123 H123 121.0 . .
C124 C123 H123 121.0 . .
C125 C124 C123 121.2(10) . .
C125 C124 H124 119.4 . .
C123 C124 H124 119.4 . .
C124 C125 C120 120.8(10) . .
C124 C125 H125 119.6 . .
C120 C125 H125 119.6 . .
C120 C126 H12A 110.1 . .
C120 C126 H12B 103.3 . .
H12A C126 H12B 109.3 . .
C120 C126 H12C 114.1 . .
H12A C126 H12C 109.3 . .
H12B C126 H12C 110.6 . .
C132 C127 C128 117.8(5) . .
C132 C127 C133 120.5(6) . .
C128 C127 C133 121.6(7) . .
C129 C128 C127 120.9(5) . .
C129 C128 H128 119.6 . .
C127 C128 H128 119.6 . .
C128 C129 C130 120.2(5) . .
C128 C129 H129 119.9 . .
C130 C129 H129 119.9 . .
C131 C130 C129 119.7(6) . .
C131 C130 H130 120.2 . .
C129 C130 H130 120.2 . .
C132 C131 C130 119.9(7) . .
C132 C131 H12B 117.1 . .
C132 C131 H12C 119.0 . .
C132 C131 H131 120.1 . .
C130 C131 H131 120.1 . .
C131 C132 C127 121.4(6) . .
C131 C132 H132 119.3 . .
C127 C132 H132 119.3 . .
C127 C133 H13A 110.2 . .
C127 C133 H13B 109.8 . .
H13A C133 H13B 108.7 . .
C127 C133 H13C 108.6 . .
H13A C133 H13C 108.8 . .
H13B C133 H13C 110.8 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Sm1 C60_1 2.390(8) 6_565
Sm1 C44_1 2.394(7) 6_565
Sm1 C37_2 2.481(5) .
Sm1 C36_2 2.487(5) .
Sm1 C54_2 2.494(7) 6_565
Sm1 C55_2 2.509(7) 6_565
Sm1 C65_2 2.531(5) .
Sm1 C59_1 2.550(12) 6_565
Sm1 C31_2 2.562(7) 6_565
Sm1 C37_1 2.570(11) .
Sm1 C45_1 2.585(17) 6_565
Sm2 C62_2 2.438(8) 6_565
Sm2 C42_2 2.453(7) 6_565
Sm2 C50_2 2.463(5) .
Sm2 C32_1 2.472(12) 6_565
Sm2 C49_2 2.506(5) .
Sm2 C27_1 2.511(14) .
Sm2 C26_1 2.513(14) .
Sm2 C57_1 2.525(11) 6_565
Sm3 C36_2 2.338(6) .
Sm3 C44_1 2.379(8) 6_565
Sm3 C65_2 2.427(6) .
Sm3 C55_2 2.431(8) 6_565
Sm3 C60_1 2.444(9) 6_565
Sm3 C39_1 2.446(8) .
Sm3 C43_1 2.457(7) 6_565
Sm3 C38_1 2.462(8) .
Sm3 C56_2 2.480(6) 6_565
Sm3 C35_2 2.573(5) .
Sm4 C51_1 2.465(19) .
Sm4 C27_1 2.482(15) .
Sm4 C25_2 2.535(6) .
Sm4 C43_2 2.539(9) 6_565
Sm4 C49_2 2.544(6) .
Sm4 C44_2 2.554(7) 6_565
Sm4 C50_1 2.56(2) .
Sm4 C31_1 2.569(10) 6_565
Sm5 C63_2 2.400(9) 6_565
Sm5 C51_2 2.443(6) .
Sm5 C40_2 2.451(7) 6_565
Sm5 C34_1 2.459(16) 6_565
Sm5 C25_1 2.504(16) .
Sm5 C24_1 2.501(18) .
Sm6 C24_2 2.450(7) .
Sm6 C54_1 2.454(18) 6_565
Sm6 C51_1 2.481(19) .
Sm6 C72_1 2.50(2) .
Sm6 C44_2 2.510(9) 6_565
Sm6 C52_1 2.521(15) .
Sm7 C59_1 2.536(17) 6_565
Sm7 C36_1 2.537(14) .
Sm7 C53_2 2.558(13) 6_565
Sm7 C45_1 2.56(2) 6_565
Sm7 C54_2 2.579(12) 6_565
Sm7 C39_2 2.585(13) .
Sm7 C60_1 2.587(12) 6_565
Sm7 C44_1 2.588(12) 6_565
C1_1 C10_1 1.412(7) .
C1_1 C6_1 1.484(11) .
C1_1 C2_1 1.620(17) .
C2_1 C3_1 1.418(9) .
C2_1 C13_1 1.468(11) .
C3_1 C4_1 1.401(9) .
C3_1 C16_1 1.430(8) .
C4_1 C5_1 1.421(9) .
C4_1 C19_1 1.464(8) .
C5_1 C6_1 1.336(9) .
C5_1 C21_1 1.472(9) .
C6_1 C7_1 1.466(10) .
C7_1 C8_1 1.419(10) .
C7_1 C23_1 1.436(10) .
C8_1 C9_1 1.426(9) .
C8_1 C26_1 1.433(9) .
C9_1 C28_1 1.404(9) .
C9_1 C10_1 1.417(9) .
C10_1 C11_1 1.398(9) .
C11_1 C12_1 1.413(9) .
C11_1 C30_1 1.460(8) .
C11_1 Sm4 2.953(12) 6_565
C11_1 Sm2 2.955(11) 6_565
C12_1 C13_1 1.348(9) .
C12_1 C32_1 1.476(9) .
C12_1 Sm2 2.66(2) 6_565
C12_1 Sm4 2.84(2) 6_565
C12_1 Sm5 2.85(2) 6_565
C13_1 C14_1 1.466(10) .
C13_1 Sm5 2.804(15) 6_565
C13_1 Sm2 3.021(14) 6_565
C14_1 C15_1 1.414(11) .
C14_1 C34_1 1.436(10) .
C14_1 Sm5 2.700(19) 6_565
C15_1 C37_1 1.431(10) .
C15_1 C16_1 1.436(10) .
C16_1 C17_1 1.408(10) .
C17_1 C18_1 1.418(9) .
C17_1 C38_1 1.465(10) .
C18_1 C41_1 1.376(8) .
C18_1 C19_1 1.390(8) .
C19_1 C20_1 1.437(9) .
C20_1 C43_1 1.426(9) .
C20_1 C21_1 1.462(9) .
C20_1 Sm3 2.843(13) 6_565
C21_1 C22_1 1.276(9) .
C21_1 Sm3 3.039(18) 6_565
C22_1 C45_1 1.418(9) .
C22_1 C23_1 1.468(9) .
C22_1 Sm7 2.985(19) 6_565
C22_1 Sm1 3.036(15) 6_565
C23_1 C24_1 1.405(9) .
C24_1 C25_1 1.454(9) .
C24_1 C46_1 1.487(10) .
C25_1 C26_1 1.414(9) .
C25_1 C49_1 1.430(9) .
C26_1 C27_1 1.513(10) .
C27_1 C51_1 1.434(10) .
C27_1 C28_1 1.455(9) .
C28_1 C29_1 1.406(9) .
C29_1 C53_1 1.356(8) .
C29_1 C30_1 1.385(9) .
C29_1 Sm6 2.976(11) 6_565
C30_1 C31_1 1.429(9) .
C30_1 Sm4 2.798(15) 6_565
C30_1 Sm2 2.957(14) 6_565
C30_1 Sm6 2.972(18) 6_565
C31_1 C55_1 1.419(9) .
C31_1 C32_1 1.465(9) .
C31_1 Sm4 2.569(10) 6_565
C31_1 Sm2 2.646(9) 6_565
C31_1 Sm6 2.850(12) 6_565
C32_1 C33_1 1.285(10) .
C32_1 Sm2 2.472(12) 6_565
C32_1 Sm4 2.635(12) 6_565
C32_1 Sm5 2.830(13) 6_565
C33_1 C57_1 1.425(10) .
C33_1 C34_1 1.490(10) .
C33_1 Sm5 2.53(2) 6_565
C33_1 Sm2 2.55(2) 6_565
C33_1 Sm4 2.85(2) 6_565
C34_1 C35_1 1.415(9) .
C34_1 Sm5 2.459(16) 6_565
C34_1 Sm2 2.974(15) 6_565
C35_1 C36_1 1.452(9) .
C35_1 C58_1 1.464(9) .
C35_1 Sm5 2.646(8) 6_565
C36_1 C37_1 1.422(9) .
C36_1 C65_1 1.436(10) .
C37_1 C38_1 1.511(10) .
C38_1 C39_1 1.435(9) .
C39_1 C64_1 1.408(9) .
C39_1 C40_1 1.446(9) .
C40_1 C63_1 1.413(9) .
C40_1 C41_1 1.476(10) .
C41_1 C42_1 1.505(10) .
C42_1 C43_1 1.394(10) .
C42_1 C62_1 1.434(8) .
C42_1 Sm3 2.647(7) 6_565
C42_1 Sm1 3.049(6) 6_565
C43_1 C44_1 1.499(11) .
C43_1 Sm3 2.457(7) 6_565
C43_1 Sm1 2.738(7) 6_565
C43_1 Sm7 3.061(13) 6_565
C44_1 C45_1 1.398(9) .
C44_1 C60_1 1.423(9) .
C44_1 Sm3 2.379(8) 6_565
C44_1 Sm1 2.395(7) 6_565
C44_1 Sm7 2.588(12) 6_565
C45_1 C46_1 1.505(10) .
C45_1 Sm7 2.56(2) 6_565
C45_1 Sm1 2.585(17) 6_565
C45_1 Sm3 2.763(17) 6_565
C46_1 C47_1 1.377(8) .
C46_1 Sm7 2.675(15) 6_565
C46_1 Sm1 2.898(9) 6_565
C47_1 C59_1 1.398(9) .
C47_1 C48_1 1.422(9) .
C47_1 Sm7 2.593(15) 6_565
C47_1 Sm1 2.798(7) 6_565
C48_1 C75_1 1.421(9) .
C48_1 C49_1 1.466(9) .
C48_1 Sm7 3.033(17) 6_565
C49_1 C50_1 1.505(10) .
C50_1 C51_1 1.418(10) .
C50_1 C74_1 1.432(9) .
C51_1 C52_1 1.448(9) .
C52_1 C72_1 1.414(10) .
C52_1 C53_1 1.478(10) .
C53_1 C54_1 1.509(11) .
C53_1 Sm6 2.724(9) 6_565
C54_1 C55_1 1.389(10) .
C54_1 C71_1 1.421(10) .
C54_1 Sm6 2.454(18) 6_565
C54_1 Sm4 2.844(17) 6_565
C55_1 C56_1 1.499(12) .
C55_1 Sm4 2.605(19) 6_565
C55_1 Sm6 2.63(2) 6_565
C55_1 Sm2 2.749(19) 6_565
C56_1 C57_1 1.395(9) .
C56_1 C69_1 1.419(8) .
C56_1 Sm4 2.681(18) 6_565
C56_1 Sm2 2.684(17) 6_565
C56_1 Sm6 2.819(19) 6_565
C57_1 C58_1 1.513(10) .
C57_1 Sm2 2.525(11) 6_565
C57_1 Sm5 2.626(12) 6_565
C57_1 Sm4 2.735(11) 6_565
C58_1 C67_1 1.382(8) .
C58_1 Sm5 2.729(10) 6_565
C58_1 Sm2 3.053(10) 6_565
C59_1 C60_1 1.441(9) .
C59_1 C77_1 1.472(9) .
C59_1 Sm7 2.536(17) 6_565
C59_1 Sm1 2.550(12) 6_565
C59_1 Sm3 2.836(13) 6_565
C60_1 C61_1 1.468(9) .
C60_1 Sm1 2.390(8) 6_565
C60_1 Sm3 2.444(9) 6_565
C60_1 Sm7 2.587(12) 6_565
C61_1 C62_1 1.287(9) .
C61_1 C78_1 1.486(10) .
C61_1 Sm3 2.585(8) 6_565
C61_1 Sm1 2.699(8) 6_565
C61_1 Sm7 3.005(12) 6_565
C62_1 C63_1 1.486(9) .
C62_1 Sm3 2.682(9) 6_565
C62_1 Sm1 2.998(9) 6_565
C63_1 C80_1 1.446(9) .
C64_1 C81_1 1.435(10) .
C64_1 C65_1 1.509(10) .
C65_1 C66_1 1.464(9) .
C66_1 C82_1 1.406(9) .
C66_1 C67_1 1.412(8) .
C67_1 C68_1 1.387(8) .
C68_1 C69_1 1.439(9) .
C68_1 C84_1 1.463(8) .
C69_1 C70_1 1.470(9) .
C69_1 Sm6 2.914(15) 6_565
C69_1 Sm4 3.053(12) 6_565
C70_1 C71_1 1.289(10) .
C70_1 C85_1 1.475(10) .
C70_1 Sm6 2.776(17) 6_565
C71_1 C72_1 1.484(9) .
C71_1 Sm6 2.648(17) 6_565
C72_1 C73_1 1.447(10) .
C72_1 Sm6 2.96(2) 6_565
C73_1 C74_1 1.429(10) .
C73_1 C86_1 1.472(10) .
C74_1 C75_1 1.436(9) .
C75_1 C76_1 1.421(8) .
C76_1 C77_1 1.403(9) .
C76_1 C87_1 1.464(11) .
C77_1 C78_1 1.423(10) .
C77_1 Sm1 2.871(11) 6_565
C77_1 Sm7 2.877(16) 6_565
C78_1 C79_1 1.352(10) .
C78_1 Sm1 2.980(15) 6_565
C78_1 Sm3 2.995(15) 6_565
C79_1 C88_1 1.422(8) .
C79_1 C80_1 1.479(9) .
C80_1 C81_1 1.426(10) .
C81_1 C82_1 1.434(10) .
C82_1 C83_1 1.428(9) .
C83_1 C84_1 1.390(8) .
C83_1 C88_1 1.463(12) .
C84_1 C85_1 1.421(9) .
C85_1 C86_1 1.355(9) .
C86_1 C87_1 1.424(9) .
C87_1 C88_1 1.593(16) .
C1_2 C10_2 1.3927 .
C1_2 C2_2 1.4615 .
C1_2 C6_2 1.4842 .
C2_2 C3_2 1.3949 .
C2_2 C13_2 1.4864 .
C3_2 C4_2 1.4136 .
C3_2 C16_2 1.4353 .
C4_2 C5_2 1.4475 .
C4_2 C19_2 1.4526 .
C5_2 C6_2 1.3794 .
C5_2 C21_2 1.4647 .
C5_2 Sm6 3.008(11) 6_565
C6_2 C7_2 1.4853 .
C7_2 C8_2 1.4325 .
C7_2 C23_2 1.4338 .
C8_2 C9_2 1.4356 .
C8_2 C26_2 1.4541 .
C9_2 C28_2 1.3766 .
C9_2 C10_2 1.4252 .
C10_2 C11_2 1.4116 .
C11_2 C12_2 1.4379 .
C11_2 C30_2 1.4474 .
C11_2 Sm1 3.048(6) 6_565
C12_2 C13_2 1.3870 .
C12_2 C32_2 1.4673 .
C13_2 C14_2 1.4835 .
C14_2 C34_2 1.4390 .
C14_2 C15_2 1.4393 .
C15_2 C16_2 1.4523 .
C15_2 C37_2 1.4644 .
C16_2 C17_2 1.3835 .
C17_2 C18_2 1.4256 .
C17_2 C38_2 1.4717 .
C18_2 C41_2 1.3725 .
C18_2 C19_2 1.3921 .
C18_2 Sm5 2.886(7) 6_565
C19_2 C20_2 1.4361 .
C20_2 C43_2 1.4340 .
C20_2 C21_2 1.4598 .
C20_2 Sm6 2.701(10) 6_565
C20_2 Sm4 2.869(6) 6_565
C20_2 Sm2 2.977(5) 6_565
C21_2 C22_2 1.2738 .
C21_2 Sm6 2.617(10) 6_565
C22_2 C45_2 1.4178 .
C22_2 C23_2 1.4580 .
C22_2 Sm6 2.661(8) 6_565
C23_2 C24_2 1.4267 .
C23_2 Sm6 3.049(8) 6_565
C24_2 C25_2 1.4143 .
C24_2 C46_2 1.4457 .
C25_2 C49_2 1.4365 .
C25_2 C26_2 1.4528 .
C26_2 C27_2 1.5035 .
C27_2 C51_2 1.4404 .
C27_2 C28_2 1.4666 .
C28_2 C29_2 1.4170 .
C29_2 C53_2 1.3561 .
C29_2 C30_2 1.3894 .
C29_2 Sm7 2.639(14) 6_565
C29_2 Sm1 2.780(5) 6_565
C30_2 C31_2 1.4276 .
C30_2 Sm1 2.672(5) 6_565
C30_2 Sm7 2.702(12) 6_565
C30_2 Sm3 2.911(7) 6_565
C31_2 C55_2 1.4238 .
C31_2 C32_2 1.4651 .
C31_2 Sm1 2.562(5) 6_565
C31_2 Sm3 2.583(6) 6_565
C31_2 Sm7 2.784(10) 6_565
C32_2 C33_2 1.2858 .
C32_2 Sm3 2.780(6) 6_565
C32_2 Sm1 2.943(5) 6_565
C33_2 C57_2 1.4140 .
C33_2 C34_2 1.4739 .
C33_2 Sm3 2.958(6) 6_565
C34_2 C35_2 1.4429 .
C35_2 C36_2 1.4093 .
C35_2 C58_2 1.4374 .
C36_2 C65_2 1.4372 .
C36_2 C37_2 1.4535 .
C37_2 C38_2 1.5018 .
C38_2 C39_2 1.4409 .
C39_2 C40_2 1.4078 .
C39_2 C64_2 1.4366 .
C39_2 Sm5 2.864(8) 6_565
C40_2 C63_2 1.4353 .
C40_2 C41_2 1.4495 .
C40_2 Sm5 2.451(7) 6_565
C40_2 Sm2 3.012(5) 6_565
C41_2 C42_2 1.5204 .
C41_2 Sm5 2.555(7) 6_565
C41_2 Sm2 2.805(6) 6_565
C42_2 C43_2 1.3861 .
C42_2 C62_2 1.4308 .
C42_2 Sm2 2.453(5) 6_565
C42_2 Sm4 2.627(6) 6_565
C42_2 Sm5 2.691(7) 6_565
C43_2 C44_2 1.4705 .
C43_2 Sm4 2.539(6) 6_565
C43_2 Sm2 2.590(5) 6_565
C43_2 Sm6 2.650(8) 6_565
C44_2 C45_2 1.3847 .
C44_2 C60_2 1.4269 .
C44_2 Sm6 2.510(7) 6_565
C44_2 Sm4 2.554(6) 6_565
C44_2 Sm2 2.756(5) 6_565
C45_2 C46_2 1.5194 .
C45_2 Sm6 2.554(7) 6_565
C45_2 Sm4 2.987(6) 6_565
C46_2 C47_2 1.3692 .
C46_2 Sm6 2.979(9) 6_565
C47_2 C59_2 1.3966 .
C47_2 C48_2 1.4255 .
C48_2 C75_2 1.3943 .
C48_2 C49_2 1.4769 .
C49_2 C50_2 1.4932 .
C50_2 C74_2 1.4519 .
C50_2 C51_2 1.4525 .
C51_2 C52_2 1.4135 .
C52_2 C72_2 1.4348 .
C52_2 C53_2 1.4504 .
C52_2 Sm7 2.905(14) 6_565
C53_2 C54_2 1.5272 .
C53_2 Sm7 2.558(13) 6_565
C53_2 Sm1 2.675(5) 6_565
C53_2 Sm3 3.002(7) 6_565
C54_2 C55_2 1.3815 .
C54_2 C71_2 1.4148 .
C54_2 Sm1 2.494(5) 6_565
C54_2 Sm7 2.579(11) 6_565
C54_2 Sm3 2.587(6) 6_565
C55_2 C56_2 1.4694 .
C55_2 Sm3 2.431(6) 6_565
C55_2 Sm1 2.509(5) 6_565
C55_2 Sm7 2.769(10) 6_565
C56_2 C57_2 1.3832 .
C56_2 C69_2 1.4218 .
C56_2 Sm3 2.480(6) 6_565
C56_2 Sm1 2.793(5) 6_565
C57_2 C58_2 1.5262 .
C57_2 Sm3 2.730(6) 6_565
C58_2 C67_2 1.3874 .
C59_2 C60_2 1.4378 .
C59_2 C77_2 1.4603 .
C59_2 Sm4 3.042(6) 6_565
C60_2 C61_2 1.4629 .
C60_2 Sm4 2.625(6) 6_565
C60_2 Sm2 2.743(5) 6_565
C60_2 Sm6 2.852(9) 6_565
C61_2 C62_2 1.2843 .
C61_2 C78_2 1.4745 .
C61_2 Sm2 2.551(5) 6_565
C61_2 Sm4 2.660(6) 6_565
C61_2 Sm5 2.990(8) 6_565
C62_2 C63_2 1.4737 .
C62_2 Sm2 2.438(5) 6_565
C62_2 Sm5 2.613(7) 6_565
C62_2 Sm4 2.681(6) 6_565
C63_2 C80_2 1.4492 .
C63_2 Sm5 2.399(6) 6_565
C63_2 Sm2 2.741(5) 6_565
C64_2 C81_2 1.4546 .
C64_2 C65_2 1.4958 .
C65_2 C66_2 1.4704 .
C66_2 C82_2 1.3822 .
C66_2 C67_2 1.4224 .
C67_2 C68_2 1.3927 .
C68_2 C69_2 1.4341 .
C68_2 C84_2 1.4582 .
C69_2 C70_2 1.4690 .
C69_2 Sm3 2.753(6) 6_565
C69_2 Sm1 3.059(6) 6_565
C70_2 C71_2 1.2856 .
C70_2 C85_2 1.4637 .
C70_2 Sm3 2.918(6) 6_565
C70_2 Sm1 3.019(6) 6_565
C71_2 C72_2 1.4720 .
C71_2 Sm7 2.848(12) 6_565
C71_2 Sm1 2.863(5) 6_565
C71_2 Sm3 2.960(7) 6_565
C72_2 C73_2 1.4475 .
C72_2 Sm7 3.027(13) 6_565
C73_2 C74_2 1.4472 .
C73_2 C86_2 1.4855 .
C74_2 C75_2 1.4487 .
C75_2 C76_2 1.4275 .
C76_2 C77_2 1.4120 .
C76_2 C87_2 1.4818 .
C77_2 C78_2 1.4493 .
C78_2 C79_2 1.3835 .
C78_2 Sm2 2.900(5) 6_565
C78_2 Sm4 3.017(6) 6_565
C79_2 C88_2 1.4000 .
C79_2 C80_2 1.4867 .
C79_2 Sm5 2.984(7) 6_565
C80_2 C81_2 1.4395 .
C80_2 Sm5 2.644(7) 6_565
C81_2 C82_2 1.4434 .
C81_2 Sm5 3.064(8) 6_565
C82_2 C83_2 1.4271 .
C83_2 C84_2 1.4021 .
C83_2 C88_2 1.4869 .
C84_2 C85_2 1.4473 .
C85_2 C86_2 1.3867 .
C86_2 C87_2 1.4031 .
C87_2 C88_2 1.4665 .
Ni1 N1 1.954(2) .
Ni1 N3 1.955(2) .
Ni1 N2 1.9620(18) .
Ni1 N2 1.9621(18) 6_565
N1 C96 1.374(2) 6_565
N1 C96 1.374(2) .
N2 C101 1.374(2) .
N2 C98 1.376(2) .
N3 C103 1.375(2) 6_565
N3 C103 1.375(2) .
C95 C95 1.349(5) 6_565
C95 C96 1.445(3) .
C95 C105 1.502(3) .
C96 C97 1.377(3) .
C97 C98 1.377(3) .
C97 H97 0.9500 .
C98 C99 1.445(3) .
C99 C100 1.359(3) .
C99 C107 1.504(3) .
C100 C101 1.447(3) .
C100 C109 1.500(3) .
C101 C102 1.377(3) .
C102 C103 1.370(3) .
C102 H102 0.9500 .
C103 C104 1.447(3) .
C104 C104 1.356(4) 6_565
C104 C111 1.497(3) .
C105 C106 1.526(3) .
C105 H10A 0.9900 .
C105 H10B 0.9900 .
C106 H10C 0.9800 .
C106 H10D 0.9800 .
C106 H10E 0.9800 .
C107 C108 1.520(4) .
C107 H10F 0.9900 .
C107 H10G 0.9900 .
C108 H10H 0.9800 .
C108 H10I 0.9800 .
C108 H10J 0.9800 .
C109 C110 1.529(4) .
C109 H10K 0.9900 .
C109 H10L 0.9900 .
C110 H11A 0.9800 .
C110 H11B 0.9800 .
C110 H11C 0.9800 .
C111 C112 1.532(3) .
C111 H11D 0.9900 .
C111 H11E 0.9900 .
C112 H11F 0.9800 .
C112 H11G 0.9800 .
C112 H11H 0.9800 .
C113 C118 1.382(9) .
C113 C114 1.405(11) .
C113 C119 1.478(12) .
C114 C115 1.359(15) .
C114 H114 0.9500 .
C115 C116 1.383(11) .
C115 H115 0.9500 .
C116 C117 1.390(11) .
C116 H116 0.9500 .
C117 C118 1.386(13) .
C117 H117 0.9500 .
C118 H118 0.9500 .
C119 H11I 0.9800 .
C119 H11J 0.9800 .
C119 H11K 0.9800 .
C120 C125 1.389(11) .
C120 C121 1.394(11) .
C120 C126 1.469(13) .
C121 C122 1.367(14) .
C121 H121 0.9500 .
C122 C123 1.383(14) .
C122 H122 0.9500 .
C123 C124 1.399(12) .
C123 H123 0.9500 .
C124 C125 1.368(14) .
C124 H124 0.9500 .
C125 H125 0.9500 .
C126 H12A 0.9814 .
C126 H12B 0.9807 .
C126 H12C 0.9745 .
C127 C132 1.396(7) .
C127 C128 1.401(7) .
C127 C133 1.481(10) .
C128 C129 1.380(9) .
C128 H128 0.9500 .
C129 C130 1.391(8) .
C129 H129 0.9500 .
C130 C131 1.383(9) .
C130 H130 0.9500 .
C131 C132 1.382(10) .
C131 H12B 1.0041 .
C131 H12C 1.0540 .
C131 H131 0.9500 .
C132 H132 0.9500 .
C133 H13A 0.9718 .
C133 H13B 0.9757 .
C133 H13C 0.9780 .
