#------------------------------------------------------------------------------
#$Date: 2020-04-05 12:59:40 +0300 (Sun, 05 Apr 2020) $
#$Revision: 250156 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/59/7125975.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_7125975
loop_
_publ_author_name
'Zhan, Shun-Ze'
'Li, Jing-Hong'
'Zhang, Guo-Hui'
'Li, Ming-De'
'Sun, Shanshan'
'Zheng, Ji'
'Ning, Guo-Hong'
'Li, Mian'
'Kuang, Dai-Bin'
'Wang, Xu-Dong'
'Li, Dan'
_publ_section_title
;
 Coordination disk-type nano-Saturn complexes.
;
_journal_issue                   22
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              3325
_journal_page_last               3328
_journal_paper_doi               10.1039/d0cc00532k
_journal_volume                  56
_journal_year                    2020
_chemical_formula_moiety         'C40 H50 Cu10 N20, C70'
_chemical_formula_sum            'C110 H50 Cu10 N20'
_chemical_formula_weight         2287.20
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2019-07-26 deposited with the CCDC.	2020-02-11 downloaded from the CCDC.
;
_cell_angle_alpha                98.0350(10)
_cell_angle_beta                 98.5660(10)
_cell_angle_gamma                108.3060(10)
_cell_formula_units_Z            2
_cell_length_a                   16.2846(2)
_cell_length_b                   16.37440(10)
_cell_length_c                   16.56410(10)
_cell_measurement_reflns_used    51443
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      64.9940
_cell_measurement_theta_min      2.7570
_cell_volume                     4063.83(7)
_computing_cell_refinement       'CrysAlisPro 1.171.39.28b (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.39.28b (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.39.28b (Rigaku OD, 2015)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.975
_diffrn_measured_fraction_theta_max 0.975
_diffrn_measurement_device_type  'XtaLAB AFC12 (RINC): Kappa single'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0265
_diffrn_reflns_av_unetI/netI     0.0158
_diffrn_reflns_Laue_measured_fraction_full 0.975
_diffrn_reflns_Laue_measured_fraction_max 0.975
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            66609
_diffrn_reflns_point_group_measured_fraction_full 0.975
_diffrn_reflns_point_group_measured_fraction_max 0.975
_diffrn_reflns_theta_full        65.342
_diffrn_reflns_theta_max         65.342
_diffrn_reflns_theta_min         2.753
_diffrn_source                   'fine-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    3.351
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.67379
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.28b (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            BLACK
_exptl_crystal_density_diffrn    1.869
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             2280
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.2
_refine_diff_density_max         0.343
_refine_diff_density_min         -0.420
_refine_diff_density_rms         0.062
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.093
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1271
_refine_ls_number_reflns         13601
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.093
_refine_ls_R_factor_all          0.0292
_refine_ls_R_factor_gt           0.0284
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0361P)²+4.3387P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0761
_refine_ls_wR_factor_ref         0.0767
_reflns_Friedel_coverage         0.000
_reflns_number_gt                13223
_reflns_number_total             13601
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0cc00532k2.cif
_cod_data_source_block           C70-Saturn-100K
_cod_depositor_comments
'Adding full bibliography for 7125968--7125975.cif.'
_cod_original_cell_volume        4063.82(7)
_cod_database_code               7125975
_shelx_shelxl_version_number     2018/3
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C5(H5), C6(H6), C9(H9), C10(H10), C13(H13), C14(H14),
 C17(H17), C18(H18), C21(H21), C22(H22), C25(H25), C26(H26), C29(H29), C30(H30),
  C33(H33), C34(H34), C37(H37), C38(H38)
2.b Idealised Me refined as rotating group:
 C4(H4A,H4B,H4C), C8(H8A,H8B,H8C), C12(H12A,H12B,H12C), C16(H16A,H16B,H16C),
 C20(H20A,H20B,H20C), C24(H24A,H24B,H24C), C28(H28A,H28B,H28C), C32(H32A,H32B,
 H32C), C36(H36A,H36B,H36C), C40(H40A,H40B,H40C)
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
C1 C 0.68232(15) 0.44807(15) 0.91546(14) 0.0222(5) Uani 1 1 d .
H1 H 0.663821 0.463474 0.964025 0.027 Uiso 1 1 calc R
C2 C 0.76713(15) 0.46093(15) 0.90848(14) 0.0229(5) Uani 1 1 d .
H2 H 0.816551 0.486387 0.951520 0.027 Uiso 1 1 calc R
C3 C 0.68270(14) 0.39956(14) 0.78702(14) 0.0206(5) Uani 1 1 d .
C4 C 0.65314(16) 0.36372(16) 0.69597(14) 0.0263(5) Uani 1 1 d .
H4A H 0.593400 0.323700 0.684472 0.040 Uiso 1 1 calc GR
H4B H 0.690888 0.333327 0.677774 0.040 Uiso 1 1 calc GR
H4C H 0.656056 0.410971 0.666856 0.040 Uiso 1 1 calc GR
C5 C 1.04521(15) 0.42511(15) 0.77558(14) 0.0238(5) Uani 1 1 d .
H5 H 1.065885 0.434438 0.832724 0.029 Uiso 1 1 calc R
C6 C 1.09347(14) 0.41975(14) 0.71625(14) 0.0223(5) Uani 1 1 d .
H6 H 1.152716 0.424605 0.725799 0.027 Uiso 1 1 calc R
C7 C 0.96059(14) 0.40285(14) 0.65513(14) 0.0207(5) Uani 1 1 d .
C8 C 0.88059(15) 0.38656(16) 0.58919(15) 0.0267(5) Uani 1 1 d .
H8A H 0.841689 0.327145 0.582412 0.040 Uiso 1 1 calc GR
H8B H 0.898250 0.395947 0.537501 0.040 Uiso 1 1 calc GR
H8C H 0.850500 0.426133 0.605326 0.040 Uiso 1 1 calc GR
C9 C 1.18522(15) 0.41519(15) 0.41645(14) 0.0234(5) Uani 1 1 d .
H9 H 1.236196 0.426708 0.456359 0.028 Uiso 1 1 calc R
C10 C 1.18160(14) 0.41519(15) 0.33408(14) 0.0222(5) Uani 1 1 d .
H10 H 1.229720 0.427131 0.308108 0.027 Uiso 1 1 calc R
C11 C 1.04825(14) 0.38327(14) 0.35606(14) 0.0214(5) Uani 1 1 d .
C12 C 0.95090(15) 0.36227(16) 0.34175(16) 0.0285(5) Uani 1 1 d .
H12A H 0.936872 0.412841 0.330536 0.043 Uiso 1 1 calc GR
H12B H 0.930127 0.345952 0.390458 0.043 Uiso 1 1 calc GR
H12C H 0.922844 0.314455 0.295006 0.043 Uiso 1 1 calc GR
C13 C 1.08082(15) 0.32777(15) 0.01292(15) 0.0251(5) Uani 1 1 d .
H13 H 1.139890 0.333442 0.028880 0.030 Uiso 1 1 calc R
C14 C 1.03175(15) 0.29882(15) -0.06551(15) 0.0241(5) Uani 1 1 d .
H14 H 1.051407 0.281036 -0.112593 0.029 Uiso 1 1 calc R
C15 C 0.94839(15) 0.32941(14) 0.01632(14) 0.0218(5) Uani 1 1 d .
C16 C 0.87011(16) 0.33746(16) 0.04836(15) 0.0285(5) Uani 1 1 d .
H16A H 0.825880 0.337325 0.002952 0.043 Uiso 1 1 calc GR
H16B H 0.887413 0.391371 0.088315 0.043 Uiso 1 1 calc GR
H16C H 0.846499 0.288877 0.074485 0.043 Uiso 1 1 calc GR
C17 C 0.75620(15) 0.17103(15) -0.32419(14) 0.0241(5) Uani 1 1 d .
H17 H 0.806520 0.175173 -0.345895 0.029 Uiso 1 1 calc R
C18 C 0.67170(15) 0.13708(14) -0.36810(14) 0.0222(5) Uani 1 1 d .
H18 H 0.654253 0.113924 -0.424977 0.027 Uiso 1 1 calc R
C19 C 0.66936(15) 0.18004(14) -0.23901(14) 0.0211(5) Uani 1 1 d .
C20 C 0.63761(16) 0.19742(16) -0.16018(15) 0.0264(5) Uani 1 1 d .
H20A H 0.576911 0.193564 -0.173478 0.040 Uiso 1 1 calc GR
H20B H 0.672852 0.255132 -0.129213 0.040 Uiso 1 1 calc GR
H20C H 0.642715 0.154712 -0.127326 0.040 Uiso 1 1 calc GR
C21 C 0.31562(15) 0.04195(14) -0.44490(15) 0.0239(5) Uani 1 1 d .
H21 H 0.333770 0.030864 -0.494681 0.029 Uiso 1 1 calc R
C22 C 0.23146(15) 0.03083(15) -0.43676(14) 0.0245(5) Uani 1 1 d .
H22 H 0.182184 0.011164 -0.480123 0.029 Uiso 1 1 calc R
C23 C 0.31571(14) 0.07772(14) -0.31377(14) 0.0214(5) Uani 1 1 d .
C24 C 0.34557(16) 0.10588(16) -0.22176(15) 0.0283(5) Uani 1 1 d .
H24A H 0.321202 0.149325 -0.202014 0.043 Uiso 1 1 calc GR
H24B H 0.408918 0.130355 -0.207843 0.043 Uiso 1 1 calc GR
H24C H 0.325854 0.056111 -0.196065 0.043 Uiso 1 1 calc GR
C25 C -0.04303(15) 0.05785(15) -0.29798(14) 0.0241(5) Uani 1 1 d .
H25 H -0.063763 0.045879 -0.355302 0.029 Uiso 1 1 calc R
C26 C -0.09121(15) 0.06646(15) -0.23911(14) 0.0241(5) Uani 1 1 d .
H26 H -0.150540 0.061259 -0.249208 0.029 Uiso 1 1 calc R
C27 C 0.04201(15) 0.08569(14) -0.17641(14) 0.0224(5) Uani 1 1 d .
C28 C 0.12171(16) 0.10389(17) -0.10953(15) 0.0289(5) Uani 1 1 d .
H28A H 0.145283 0.057215 -0.117996 0.043 Uiso 1 1 calc GR
H28B H 0.105385 0.107818 -0.056143 0.043 Uiso 1 1 calc GR
H28C H 0.165614 0.158326 -0.111512 0.043 Uiso 1 1 calc GR
C29 C -0.18219(15) 0.10442(15) 0.05731(15) 0.0242(5) Uani 1 1 d .
H29 H -0.230850 0.097192 0.016120 0.029 Uiso 1 1 calc R
C30 C -0.18244(15) 0.10582(15) 0.13920(15) 0.0260(5) Uani 1 1 d .
H30 H -0.231383 0.099347 0.163619 0.031 Uiso 1 1 calc R
C31 C -0.04951(15) 0.12408(14) 0.12135(14) 0.0230(5) Uani 1 1 d .
C32 C 0.04702(16) 0.13819(18) 0.13822(17) 0.0342(6) Uani 1 1 d .
H32A H 0.079290 0.197851 0.165942 0.051 Uiso 1 1 calc GR
H32B H 0.065174 0.126545 0.086550 0.051 Uiso 1 1 calc GR
H32C H 0.058707 0.099253 0.173041 0.051 Uiso 1 1 calc GR
C33 C -0.08442(15) 0.17036(15) 0.46495(15) 0.0250(5) Uani 1 1 d .
H33 H -0.143698 0.164449 0.450341 0.030 Uiso 1 1 calc R
C34 C -0.03550(15) 0.19284(15) 0.54357(15) 0.0244(5) Uani 1 1 d .
H34 H -0.055603 0.204828 0.592039 0.029 Uiso 1 1 calc R
C35 C 0.04861(15) 0.17391(14) 0.45778(14) 0.0229(5) Uani 1 1 d .
C36 C 0.12834(16) 0.17374(17) 0.42407(16) 0.0304(5) Uani 1 1 d .
H36A H 0.155471 0.229759 0.410369 0.046 Uiso 1 1 calc GR
H36B H 0.111410 0.128640 0.374914 0.046 Uiso 1 1 calc GR
H36C H 0.169565 0.162717 0.465200 0.046 Uiso 1 1 calc GR
C37 C 0.24072(15) 0.30649(15) 0.80003(14) 0.0237(5) Uani 1 1 d .
H37 H 0.190713 0.303195 0.822011 0.028 Uiso 1 1 calc R
C38 C 0.32527(15) 0.33779(14) 0.84371(14) 0.0217(5) Uani 1 1 d .
H38 H 0.343071 0.359798 0.900777 0.026 Uiso 1 1 calc R
C39 C 0.32678(14) 0.29681(14) 0.71380(14) 0.0208(5) Uani 1 1 d .
C40 C 0.35772(16) 0.28017(15) 0.63490(15) 0.0263(5) Uani 1 1 d .
H40A H 0.351450 0.322625 0.602145 0.039 Uiso 1 1 calc GR
H40B H 0.322937 0.222258 0.604105 0.039 Uiso 1 1 calc GR
H40C H 0.418711 0.284907 0.647611 0.039 Uiso 1 1 calc GR
Cu1 Cu 0.86594(2) 0.42313(2) 0.78462(2) 0.02180(8) Uani 1 1 d .
Cu2 Cu 1.06977(2) 0.39635(2) 0.53496(2) 0.02176(8) Uani 1 1 d .
Cu3 Cu 1.05870(2) 0.37750(2) 0.18088(2) 0.02299(8) Uani 1 1 d .
Cu4 Cu 0.85180(2) 0.25384(2) -0.15377(2) 0.02353(8) Uani 1 1 d .
Cu5 Cu 0.49278(2) 0.10664(2) -0.34067(2) 0.02258(8) Uani 1 1 d .
Cu6 Cu 0.13516(2) 0.06003(2) -0.30722(2) 0.02308(8) Uani 1 1 d .
Cu7 Cu -0.06620(2) 0.10436(2) -0.05794(2) 0.02440(8) Uani 1 1 d .
Cu8 Cu -0.06348(2) 0.13185(2) 0.29483(2) 0.02503(8) Uani 1 1 d .
Cu9 Cu 0.14462(2) 0.23321(2) 0.62899(2) 0.02387(8) Uani 1 1 d .
Cu10 Cu 0.50435(2) 0.36978(2) 0.81426(2) 0.02184(8) Uani 1 1 d .
N1 N 0.62799(12) 0.40825(12) 0.83837(12) 0.0210(4) Uani 1 1 d .
N2 N 0.76789(12) 0.42994(12) 0.82686(11) 0.0210(4) Uani 1 1 d .
N3 N 0.96025(12) 0.41438(12) 0.73694(12) 0.0220(4) Uani 1 1 d .
N4 N 1.03961(12) 0.40586(12) 0.63918(12) 0.0208(4) Uani 1 1 d .
N5 N 1.10044(12) 0.39519(12) 0.43110(12) 0.0213(4) Uani 1 1 d .
N6 N 1.09456(12) 0.39452(12) 0.29534(12) 0.0212(4) Uani 1 1 d .
N7 N 1.02792(12) 0.34749(12) 0.06534(12) 0.0235(4) Uani 1 1 d .
N8 N 0.94743(12) 0.30012(12) -0.06395(12) 0.0225(4) Uani 1 1 d .
N9 N 0.75487(12) 0.19848(12) -0.24155(12) 0.0226(4) Uani 1 1 d .
N10 N 0.61581(12) 0.14275(12) -0.31386(11) 0.0209(4) Uani 1 1 d .
N11 N 0.36999(12) 0.07260(12) -0.36664(12) 0.0221(4) Uani 1 1 d .
N12 N 0.23096(12) 0.05351(12) -0.35339(12) 0.0227(4) Uani 1 1 d .
N13 N 0.04216(12) 0.06989(12) -0.25820(12) 0.0226(4) Uani 1 1 d .
N14 N -0.03689(12) 0.08428(12) -0.16163(12) 0.0226(4) Uani 1 1 d .
N15 N -0.09773(12) 0.11549(12) 0.04522(12) 0.0230(4) Uani 1 1 d .
N16 N -0.09811(12) 0.11845(12) 0.18026(12) 0.0228(4) Uani 1 1 d .
N17 N -0.03112(12) 0.15773(12) 0.41016(12) 0.0237(4) Uani 1 1 d .
N18 N 0.04919(12) 0.19493(12) 0.53953(12) 0.0237(4) Uani 1 1 d .
N19 N 0.24160(12) 0.28029(12) 0.71714(12) 0.0223(4) Uani 1 1 d .
N20 N 0.38079(12) 0.33149(12) 0.78904(12) 0.0202(4) Uani 1 1 d .
C41 C 0.47734(15) 0.46718(13) 0.24446(15) 0.0218(5) Uani 1 1 d .
C42 C 0.65065(15) 0.46307(14) 0.22931(15) 0.0244(5) Uani 1 1 d .
C43 C 0.70405(14) 0.40578(15) 0.22465(16) 0.0255(5) Uani 1 1 d .
C44 C 0.70133(15) 0.22840(16) 0.22425(16) 0.0273(5) Uani 1 1 d .
C45 C 0.64511(16) 0.13967(16) 0.22827(16) 0.0277(5) Uani 1 1 d .
C46 C 0.46997(16) 0.03487(14) 0.24213(16) 0.0267(5) Uani 1 1 d .
C47 C 0.38169(16) 0.03684(14) 0.24952(16) 0.0277(5) Uani 1 1 d .
C48 C 0.27623(14) 0.14963(15) 0.25932(16) 0.0257(5) Uani 1 1 d .
C49 C 0.27797(14) 0.24009(15) 0.25987(16) 0.0245(5) Uani 1 1 d .
C50 C 0.38830(14) 0.41448(14) 0.25137(15) 0.0221(5) Uani 1 1 d .
C51 C 0.33035(14) 0.35648(15) 0.17951(15) 0.0233(5) Uani 1 1 d .
C52 C 0.27590(14) 0.27015(15) 0.18354(15) 0.0250(5) Uani 1 1 d .
C53 C 0.26663(15) 0.21264(16) 0.10565(15) 0.0281(5) Uani 1 1 d .
C54 C 0.31462(16) 0.26315(16) 0.05244(15) 0.0292(5) Uani 1 1 d .
C55 C 0.35479(16) 0.35239(16) 0.09894(15) 0.0268(5) Uani 1 1 d .
C56 C 0.50068(15) 0.45765(14) 0.16538(15) 0.0231(5) Uani 1 1 d .
C57 C 0.43829(16) 0.40245(15) 0.09218(15) 0.0256(5) Uani 1 1 d .
C58 C 0.48575(17) 0.36565(16) 0.03867(14) 0.0283(5) Uani 1 1 d .
C59 C 0.57729(16) 0.39786(15) 0.08073(15) 0.0265(5) Uani 1 1 d .
C60 C 0.58654(15) 0.45529(14) 0.15836(15) 0.0239(5) Uani 1 1 d .
C61 C 0.68955(15) 0.34626(16) 0.14922(16) 0.0261(5) Uani 1 1 d .
C62 C 0.62779(16) 0.34432(16) 0.07602(15) 0.0283(5) Uani 1 1 d .
C63 C 0.58917(17) 0.25575(17) 0.02944(15) 0.0301(5) Uani 1 1 d .
C64 C 0.62609(17) 0.20236(16) 0.07539(15) 0.0293(5) Uani 1 1 d .
C65 C 0.68810(15) 0.25820(16) 0.14873(16) 0.0274(5) Uani 1 1 d .
C66 C 0.58116(16) 0.08837(15) 0.15691(16) 0.0276(5) Uani 1 1 d .
C67 C 0.57315(17) 0.11881(16) 0.07926(15) 0.0305(5) Uani 1 1 d .
C68 C 0.48138(18) 0.08519(16) 0.03759(15) 0.0319(6) Uani 1 1 d .
C69 C 0.43299(17) 0.03513(15) 0.09095(16) 0.0305(5) Uani 1 1 d .
C70 C 0.49434(16) 0.03678(15) 0.16395(16) 0.0286(5) Uani 1 1 d .
C71 C 0.34975(16) 0.03709(15) 0.09781(16) 0.0309(6) Uani 1 1 d .
C72 C 0.31201(16) 0.09025(16) 0.05188(16) 0.0320(6) Uani 1 1 d .
C73 C 0.26500(15) 0.12750(16) 0.10535(16) 0.0303(5) Uani 1 1 d .
C74 C 0.27285(15) 0.09690(15) 0.18287(16) 0.0275(5) Uani 1 1 d .
C75 C 0.32499(15) 0.04091(14) 0.17808(16) 0.0279(5) Uani 1 1 d .
C76 C 0.50065(18) 0.22352(17) -0.01089(14) 0.0323(6) Uani 1 1 d .
C77 C 0.44765(18) 0.27974(17) -0.00622(14) 0.0313(6) Uani 1 1 d .
C78 C 0.36020(17) 0.22745(17) 0.00113(14) 0.0325(6) Uani 1 1 d .
C79 C 0.35851(18) 0.13858(17) 0.00080(15) 0.0334(6) Uani 1 1 d .
C80 C 0.44588(18) 0.13646(17) -0.00643(15) 0.0334(6) Uani 1 1 d .
C81 C 0.53976(16) 0.07119(15) 0.31287(16) 0.0278(5) Uani 1 1 d .
C82 C 0.52503(17) 0.10472(16) 0.39284(16) 0.0304(5) Uani 1 1 d .
C83 C 0.60310(17) 0.17748(17) 0.43613(16) 0.0319(6) Uani 1 1 d .
C84 C 0.66567(16) 0.18884(17) 0.38153(16) 0.0303(5) Uani 1 1 d .
C85 C 0.62645(16) 0.12286(16) 0.30594(16) 0.0288(5) Uani 1 1 d .
C86 C 0.71815(15) 0.27238(17) 0.37763(16) 0.0299(5) Uani 1 1 d .
C87 C 0.71066(15) 0.34838(17) 0.42810(15) 0.0306(5) Uani 1 1 d .
C88 C 0.72076(14) 0.41521(16) 0.37835(15) 0.0283(5) Uani 1 1 d .
C89 C 0.73502(14) 0.38109(16) 0.29852(16) 0.0275(5) Uani 1 1 d .
C90 C 0.73345(14) 0.29296(16) 0.29804(16) 0.0279(5) Uani 1 1 d .
C91 C 0.67012(15) 0.46925(15) 0.38276(15) 0.0273(5) Uani 1 1 d .
C92 C 0.60777(16) 0.45826(15) 0.43697(14) 0.0276(5) Uani 1 1 d .
C93 C 0.53072(16) 0.47229(14) 0.39415(14) 0.0252(5) Uani 1 1 d .
C94 C 0.54652(15) 0.49238(13) 0.31446(15) 0.0229(5) Uani 1 1 d .
C95 C 0.63256(15) 0.49071(14) 0.30725(15) 0.0238(5) Uani 1 1 d .
C96 C 0.44748(16) 0.42236(15) 0.40105(14) 0.0254(5) Uani 1 1 d .
C97 C 0.43683(16) 0.35564(16) 0.45108(14) 0.0271(5) Uani 1 1 d .
C98 C 0.35907(16) 0.28227(16) 0.40800(15) 0.0267(5) Uani 1 1 d .
C99 C 0.32191(14) 0.30427(15) 0.33273(15) 0.0242(5) Uani 1 1 d .
C100 C 0.37659(15) 0.39051(15) 0.32858(15) 0.0229(5) Uani 1 1 d .
C101 C 0.35747(16) 0.19738(16) 0.40762(15) 0.0275(5) Uani 1 1 d .
C102 C 0.43382(17) 0.18201(17) 0.45033(15) 0.0297(5) Uani 1 1 d .
C103 C 0.44191(17) 0.10710(16) 0.39988(16) 0.0291(5) Uani 1 1 d .
C104 C 0.37068(15) 0.07551(15) 0.32732(16) 0.0266(5) Uani 1 1 d .
C105 C 0.31850(15) 0.13120(15) 0.33213(16) 0.0271(5) Uani 1 1 d .
C106 C 0.59768(17) 0.39415(17) 0.48487(14) 0.0307(5) Uani 1 1 d .
C107 C 0.65065(17) 0.33743(17) 0.48012(15) 0.0319(6) Uani 1 1 d .
C108 C 0.59536(18) 0.24996(18) 0.48416(15) 0.0332(6) Uani 1 1 d .
C109 C 0.50866(18) 0.25265(18) 0.49164(14) 0.0309(5) Uani 1 1 d .
C110 C 0.51025(17) 0.34160(17) 0.49212(14) 0.0306(5) Uani 1 1 d .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
Cu Cu -1.9646 0.5888 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 '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
C2 C1 N1 108.6(2) . .
C1 C2 N2 108.6(2) . .
N1 C3 C4 124.1(2) . .
N1 C3 N2 112.3(2) . .
N2 C3 C4 123.6(2) . .
C6 C5 N3 108.6(2) . .
C5 C6 N4 108.38(19) . .
N3 C7 C8 123.4(2) . .
N4 C7 C8 123.9(2) . .
N4 C7 N3 112.72(19) . .
C10 C9 N5 108.5(2) . .
C9 C10 N6 108.52(19) . .
N5 C11 C12 124.3(2) . .
N6 C11 C12 123.4(2) . .
N6 C11 N5 112.24(19) . .
C14 C13 N7 108.2(2) . .
C13 C14 N8 108.6(2) . .
N7 C15 C16 123.5(2) . .
N7 C15 N8 112.0(2) . .
N8 C15 C16 124.4(2) . .
C18 C17 N9 108.5(2) . .
C17 C18 N10 108.4(2) . .
N9 C19 C20 123.0(2) . .
N9 C19 N10 112.81(19) . .
N10 C19 C20 124.1(2) . .
C22 C21 N11 108.5(2) . .
C21 C22 N12 108.7(2) . .
N11 C23 C24 124.1(2) . .
N12 C23 C24 123.6(2) . .
N12 C23 N11 112.4(2) . .
C26 C25 N13 108.5(2) . .
C25 C26 N14 108.2(2) . .
N13 C27 C28 123.6(2) . .
N14 C27 C28 123.9(2) . .
N14 C27 N13 112.5(2) . .
C30 C29 N15 108.6(2) . .
C29 C30 N16 108.6(2) . .
N15 C31 C32 123.9(2) . .
N16 C31 C32 123.8(2) . .
N16 C31 N15 112.32(19) . .
C34 C33 N17 108.4(2) . .
C33 C34 N18 108.5(2) . .
N17 C35 C36 123.9(2) . .
N17 C35 N18 112.1(2) . .
N18 C35 C36 123.9(2) . .
C38 C37 N19 108.3(2) . .
C37 C38 N20 108.6(2) . .
N19 C39 C40 123.3(2) . .
N19 C39 N20 112.5(2) . .
N20 C39 C40 124.2(2) . .
Cu4 Cu1 Cu3 148.224(15) 1_556 2_766
N2 Cu1 Cu3 89.21(6) . 2_766
N2 Cu1 Cu4 90.89(6) . 1_556
N3 Cu1 Cu3 91.70(6) . 2_766
N3 Cu1 Cu4 89.82(6) . 1_556
N3 Cu1 N2 177.05(8) . .
N5 Cu2 N4 175.89(8) . .
N6 Cu3 Cu1 82.66(6) . 2_766
N6 Cu3 N7 172.25(8) . .
N7 Cu3 Cu1 103.35(6) . 2_766
N8 Cu4 Cu1 97.64(6) . 1_554
N8 Cu4 N9 175.29(8) . .
N9 Cu4 Cu1 87.06(6) . 1_554
N11 Cu5 N10 178.97(8) . .
N12 Cu6 Cu8 96.66(6) . 2
N13 Cu6 Cu8 84.61(6) . 2
N13 Cu6 N12 177.96(8) . .
N15 Cu7 N14 175.75(8) . .
N16 Cu8 Cu6 98.34(6) . 2
N17 Cu8 Cu6 87.31(6) . 2
N17 Cu8 N16 173.28(8) . .
N18 Cu9 N19 175.57(8) . .
N20 Cu10 N1 179.41(8) . .
C1 N1 Cu10 126.30(15) . .
C3 N1 C1 105.23(18) . .
C3 N1 Cu10 128.38(16) . .
C2 N2 Cu1 126.49(15) . .
C3 N2 C2 105.30(18) . .
C3 N2 Cu1 128.00(16) . .
C5 N3 Cu1 129.03(16) . .
C7 N3 C5 105.07(18) . .
C7 N3 Cu1 125.70(15) . .
C6 N4 Cu2 128.00(15) . .
C7 N4 C6 105.24(18) . .
C7 N4 Cu2 126.73(16) . .
C9 N5 Cu2 125.89(16) . .
C11 N5 C9 105.20(19) . .
C11 N5 Cu2 128.66(15) . .
C10 N6 Cu3 122.72(15) . .
C11 N6 C10 105.49(18) . .
C11 N6 Cu3 131.53(15) . .
C13 N7 Cu3 125.79(16) . .
C15 N7 C13 105.67(19) . .
C15 N7 Cu3 128.04(16) . .
C14 N8 Cu4 124.96(16) . .
C15 N8 C14 105.45(19) . .
C15 N8 Cu4 128.98(16) . .
C17 N9 Cu4 127.29(16) . .
C19 N9 C17 105.20(19) . .
C19 N9 Cu4 127.45(16) . .
C18 N10 Cu5 126.80(16) . .
C19 N10 C18 105.11(18) . .
C19 N10 Cu5 128.09(15) . .
C21 N11 Cu5 127.36(15) . .
C23 N11 C21 105.23(18) . .
C23 N11 Cu5 127.29(16) . .
C22 N12 Cu6 127.13(16) . .
C23 N12 C22 105.26(19) . .
C23 N12 Cu6 127.34(16) . .
C25 N13 Cu6 127.47(16) . .
C27 N13 C25 105.16(19) . .
C27 N13 Cu6 127.28(16) . .
C26 N14 Cu7 127.48(16) . .
C27 N14 C26 105.61(19) . .
C27 N14 Cu7 126.90(16) . .
C29 N15 Cu7 125.00(16) . .
C31 N15 C29 105.14(19) . .
C31 N15 Cu7 129.35(16) . .
C30 N16 Cu8 124.74(16) . .
C31 N16 C30 105.40(19) . .
C31 N16 Cu8 129.73(16) . .
C33 N17 Cu8 126.10(16) . .
C35 N17 C33 105.58(19) . .
C35 N17 Cu8 128.18(16) . .
C34 N18 Cu9 125.47(16) . .
C35 N18 C34 105.47(19) . .
C35 N18 Cu9 128.62(16) . .
C37 N19 Cu9 127.02(15) . .
C39 N19 C37 105.59(19) . .
C39 N19 Cu9 127.39(16) . .
C38 N20 Cu10 127.05(16) . .
C39 N20 C38 105.03(18) . .
C39 N20 Cu10 127.82(15) . .
C56 C41 C50 118.1(2) . .
C94 C41 C50 119.0(2) . .
C94 C41 C56 116.7(2) . .
C60 C42 C43 118.4(2) . .
C95 C42 C43 118.5(2) . .
C95 C42 C60 116.3(2) . .
C61 C43 C42 118.4(2) . .
C61 C43 C89 116.7(2) . .
C89 C43 C42 118.4(2) . .
C65 C44 C45 118.1(2) . .
C90 C44 C45 118.6(2) . .
C90 C44 C65 116.7(2) . .
C66 C45 C44 118.6(2) . .
C85 C45 C44 118.5(2) . .
C85 C45 C66 116.6(2) . .
C70 C46 C47 118.7(2) . .
C70 C46 C81 116.2(2) . .
C81 C46 C47 118.7(2) . .
C75 C47 C46 118.5(2) . .
C75 C47 C104 116.5(2) . .
C104 C47 C46 118.3(2) . .
C74 C48 C49 118.4(2) . .
C74 C48 C105 116.5(2) . .
C105 C48 C49 118.4(2) . .
C52 C49 C48 118.4(2) . .
C99 C49 C48 118.5(2) . .
C99 C49 C52 116.4(2) . .
C51 C50 C41 118.7(2) . .
C100 C50 C41 118.0(2) . .
C100 C50 C51 116.6(2) . .
C50 C51 C52 121.0(2) . .
C50 C51 C55 121.6(2) . .
C52 C51 C55 107.8(2) . .
C49 C52 C51 121.1(2) . .
C49 C52 C53 121.6(2) . .
C51 C52 C53 107.9(2) . .
C54 C53 C52 108.9(2) . .
C73 C53 C52 119.7(2) . .
C73 C53 C54 119.9(2) . .
C53 C54 C55 106.7(2) . .
C78 C54 C53 120.6(2) . .
C78 C54 C55 120.1(2) . .
C54 C55 C51 108.7(2) . .
C57 C55 C51 119.7(2) . .
C57 C55 C54 120.0(2) . .
C41 C56 C57 121.9(2) . .
C41 C56 C60 120.6(2) . .
C60 C56 C57 108.3(2) . .
C55 C57 C56 119.8(2) . .
C55 C57 C58 120.0(2) . .
C56 C57 C58 108.3(2) . .
C59 C58 C57 107.0(2) . .
C77 C58 C57 120.4(2) . .
C77 C58 C59 119.9(2) . .
C60 C59 C58 108.6(2) . .
C62 C59 C58 120.4(2) . .
C62 C59 C60 119.9(2) . .
C42 C60 C56 121.5(2) . .
C42 C60 C59 121.7(2) . .
C56 C60 C59 107.8(2) . .
C43 C61 C62 121.7(2) . .
C43 C61 C65 121.2(2) . .
C65 C61 C62 107.6(2) . .
C59 C62 C61 119.6(2) . .
C59 C62 C63 120.1(2) . .
C63 C62 C61 108.9(2) . .
C62 C63 C64 106.9(2) . .
C76 C63 C62 120.2(2) . .
C76 C63 C64 120.2(2) . .
C65 C64 C63 108.6(2) . .
C67 C64 C63 119.8(2) . .
C67 C64 C65 119.8(2) . .
C44 C65 C61 120.8(2) . .
C44 C65 C64 122.0(2) . .
C61 C65 C64 107.9(2) . .
C45 C66 C67 121.8(2) . .
C45 C66 C70 120.9(2) . .
C70 C66 C67 107.7(2) . .
C64 C67 C66 119.5(2) . .
C64 C67 C68 120.2(2) . .
C68 C67 C66 108.7(2) . .
C69 C68 C67 106.8(2) . .
C80 C68 C67 120.1(2) . .
C80 C68 C69 120.5(2) . .
C70 C69 C68 108.8(2) . .
C71 C69 C68 120.1(2) . .
C71 C69 C70 119.8(2) . .
C46 C70 C66 121.4(2) . .
C46 C70 C69 121.5(2) . .
C66 C70 C69 108.0(2) . .
C69 C71 C72 119.8(2) . .
C69 C71 C75 119.9(2) . .
C75 C71 C72 108.6(2) . .
C73 C72 C71 106.8(2) . .
C79 C72 C71 120.2(2) . .
C79 C72 C73 120.8(2) . .
C53 C73 C72 119.6(2) . .
C53 C73 C74 119.8(2) . .
C72 C73 C74 108.8(2) . .
C48 C74 C73 121.7(2) . .
C48 C74 C75 121.1(2) . .
C75 C74 C73 107.8(2) . .
C47 C75 C71 121.3(2) . .
C47 C75 C74 121.1(2) . .
C74 C75 C71 108.0(2) . .
C63 C76 C77 119.8(2) . .
C63 C76 C80 119.7(2) . .
C80 C76 C77 107.8(2) . .
C58 C77 C76 119.6(2) . .
C58 C77 C78 119.5(2) . .
C78 C77 C76 108.2(2) . .
C54 C78 C77 120.0(2) . .
C54 C78 C79 119.6(2) . .
C77 C78 C79 108.1(2) . .
C72 C79 C78 119.6(2) . .
C72 C79 C80 120.0(2) . .
C78 C79 C80 107.6(2) . .
C68 C80 C76 120.1(2) . .
C68 C80 C79 119.4(2) . .
C76 C80 C79 108.2(2) . .
C46 C81 C82 121.6(2) . .
C46 C81 C85 121.3(2) . .
C85 C81 C82 107.9(2) . .
C81 C82 C83 108.7(2) . .
C103 C82 C81 119.7(2) . .
C103 C82 C83 119.9(2) . .
C82 C83 C84 106.9(2) . .
C108 C83 C82 120.3(2) . .
C108 C83 C84 120.2(2) . .
C85 C84 C83 108.5(2) . .
C86 C84 C83 119.8(2) . .
C86 C84 C85 119.8(2) . .
C45 C85 C81 121.0(2) . .
C45 C85 C84 121.5(2) . .
C81 C85 C84 108.0(2) . .
C84 C86 C87 120.2(2) . .
C84 C86 C90 119.6(2) . .
C90 C86 C87 108.5(2) . .
C88 C87 C86 107.0(2) . .
C107 C87 C86 119.9(2) . .
C107 C87 C88 120.6(2) . .
C89 C88 C87 108.6(2) . .
C91 C88 C87 119.9(2) . .
C91 C88 C89 119.5(2) . .
C43 C89 C88 122.0(2) . .
C43 C89 C90 120.8(2) . .
C90 C89 C88 108.0(2) . .
C44 C90 C86 121.7(2) . .
C44 C90 C89 121.3(2) . .
C89 C90 C86 107.9(2) . .
C88 C91 C92 119.8(2) . .
C88 C91 C95 119.5(2) . .
C92 C91 C95 108.8(2) . .
C91 C92 C93 107.1(2) . .
C106 C92 C91 120.7(2) . .
C106 C92 C93 119.9(2) . .
C94 C93 C92 108.3(2) . .
C96 C93 C92 120.2(2) . .
C96 C93 C94 119.9(2) . .
C41 C94 C93 121.4(2) . .
C41 C94 C95 121.4(2) . .
C95 C94 C93 108.2(2) . .
C42 C95 C91 121.9(2) . .
C42 C95 C94 121.1(2) . .
C94 C95 C91 107.6(2) . .
C93 C96 C97 120.0(2) . .
C93 C96 C100 119.7(2) . .
C100 C96 C97 108.5(2) . .
C96 C97 C98 106.9(2) . .
C110 C97 C96 120.2(2) . .
C110 C97 C98 120.5(2) . .
C99 C98 C97 108.6(2) . .
C101 C98 C97 120.1(2) . .
C101 C98 C99 119.6(2) . .
C49 C99 C98 121.9(2) . .
C49 C99 C100 121.2(2) . .
C100 C99 C98 107.8(2) . .
C50 C100 C96 121.7(2) . .
C50 C100 C99 121.2(2) . .
C99 C100 C96 108.2(2) . .
C98 C101 C102 119.9(2) . .
C98 C101 C105 119.9(2) . .
C105 C101 C102 108.6(2) . .
C103 C102 C101 106.9(2) . .
C109 C102 C101 120.0(2) . .
C109 C102 C103 120.6(2) . .
C82 C103 C102 119.8(2) . .
C82 C103 C104 119.8(2) . .
C102 C103 C104 108.9(2) . .
C47 C104 C103 121.7(2) . .
C47 C104 C105 121.1(2) . .
C105 C104 C103 107.8(2) . .
C48 C105 C101 121.5(2) . .
C48 C105 C104 121.1(2) . .
C104 C105 C101 107.9(2) . .
C92 C106 C107 119.6(2) . .
C92 C106 C110 120.0(2) . .
C110 C106 C107 107.9(2) . .
C87 C107 C106 119.6(2) . .
C87 C107 C108 120.0(2) . .
C108 C107 C106 107.9(2) . .
C83 C108 C107 119.8(2) . .
C83 C108 C109 119.9(2) . .
C109 C108 C107 108.0(2) . .
C102 C109 C108 119.5(2) . .
C102 C109 C110 120.1(2) . .
C110 C109 C108 108.1(2) . .
C97 C110 C106 119.7(2) . .
C97 C110 C109 119.4(2) . .
C106 C110 C109 108.2(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C2 1.355(3) .
C1 N1 1.381(3) .
C2 N2 1.379(3) .
C3 C4 1.487(3) .
C3 N1 1.345(3) .
C3 N2 1.345(3) .
C5 C6 1.357(3) .
C5 N3 1.381(3) .
C6 N4 1.382(3) .
C7 C8 1.496(3) .
C7 N3 1.343(3) .
C7 N4 1.339(3) .
C9 C10 1.357(3) .
C9 N5 1.382(3) .
C10 N6 1.379(3) .
C11 C12 1.487(3) .
C11 N5 1.348(3) .
C11 N6 1.343(3) .
C13 C14 1.353(3) .
C13 N7 1.385(3) .
C14 N8 1.384(3) .
C15 C16 1.487(3) .
C15 N7 1.343(3) .
C15 N8 1.345(3) .
C17 C18 1.356(3) .
C17 N9 1.385(3) .
C18 N10 1.385(3) .
C19 C20 1.498(3) .
C19 N9 1.338(3) .
C19 N10 1.342(3) .
C21 C22 1.354(3) .
C21 N11 1.383(3) .
C22 N12 1.381(3) .
C23 C24 1.488(3) .
C23 N11 1.346(3) .
C23 N12 1.344(3) .
C25 C26 1.358(3) .
C25 N13 1.385(3) .
C26 N14 1.382(3) .
C27 C28 1.496(3) .
C27 N13 1.344(3) .
C27 N14 1.337(3) .
C29 C30 1.354(3) .
C29 N15 1.378(3) .
C30 N16 1.377(3) .
C31 C32 1.492(3) .
C31 N15 1.346(3) .
C31 N16 1.340(3) .
C33 C34 1.356(3) .
C33 N17 1.384(3) .
C34 N18 1.381(3) .
C35 C36 1.488(3) .
C35 N17 1.341(3) .
C35 N18 1.348(3) .
C37 C38 1.356(3) .
C37 N19 1.384(3) .
C38 N20 1.387(3) .
C39 C40 1.490(3) .
C39 N19 1.339(3) .
C39 N20 1.346(3) .
Cu1 Cu3 3.0401(5) 2_766
Cu1 Cu4 3.0395(5) 1_556
Cu1 N2 1.8640(18) .
Cu1 N3 1.8630(19) .
Cu2 N4 1.8631(19) .
Cu2 N5 1.8607(19) .
Cu3 N6 1.8529(19) .
Cu3 N7 1.8580(19) .
Cu4 N8 1.8618(19) .
Cu4 N9 1.8645(19) .
Cu5 N10 1.8651(19) .
Cu5 N11 1.8629(19) .
Cu6 Cu8 3.0371(5) 2
Cu6 N12 1.8620(19) .
Cu6 N13 1.8607(19) .
Cu7 N14 1.8629(19) .
Cu7 N15 1.8574(19) .
Cu8 N16 1.8587(19) .
Cu8 N17 1.8549(19) .
Cu9 N18 1.8564(19) .
Cu9 N19 1.8585(19) .
Cu10 N1 1.8718(18) .
Cu10 N20 1.8710(18) .
C41 C50 1.467(3) .
C41 C56 1.419(3) .
C41 C94 1.403(3) .
C42 C43 1.468(3) .
C42 C60 1.413(3) .
C42 C95 1.411(3) .
C43 C61 1.412(3) .
C43 C89 1.413(4) .
C44 C45 1.471(3) .
C44 C65 1.416(4) .
C44 C90 1.409(4) .
C45 C66 1.412(4) .
C45 C85 1.409(4) .
C46 C47 1.471(3) .
C46 C70 1.411(4) .
C46 C81 1.415(4) .
C47 C75 1.412(4) .
C47 C104 1.416(4) .
C48 C49 1.471(3) .
C48 C74 1.413(4) .
C48 C105 1.416(3) .
C49 C52 1.419(3) .
C49 C99 1.410(3) .
C50 C51 1.413(3) .
C50 C100 1.411(3) .
C51 C52 1.430(3) .
C51 C55 1.447(3) .
C52 C53 1.445(3) .
C53 C54 1.440(4) .
C53 C73 1.385(4) .
C54 C55 1.446(3) .
C54 C78 1.392(4) .
C55 C57 1.380(3) .
C56 C57 1.438(3) .
C56 C60 1.432(3) .
C57 C58 1.447(3) .
C58 C59 1.442(4) .
C58 C77 1.392(4) .
C59 C60 1.441(3) .
C59 C62 1.380(3) .
C61 C62 1.445(4) .
C61 C65 1.434(3) .
C62 C63 1.437(4) .
C63 C64 1.444(4) .
C63 C76 1.393(4) .
C64 C65 1.441(4) .
C64 C67 1.385(4) .
C66 C67 1.446(4) .
C66 C70 1.433(3) .
C67 C68 1.443(4) .
C68 C69 1.442(4) .
C68 C80 1.386(4) .
C69 C70 1.440(4) .
C69 C71 1.387(4) .
C71 C72 1.448(4) .
C71 C75 1.444(4) .
C72 C73 1.445(4) .
C72 C79 1.385(4) .
C73 C74 1.445(4) .
C74 C75 1.434(3) .
C76 C77 1.448(4) .
C76 C80 1.443(4) .
C77 C78 1.446(4) .
C78 C79 1.446(4) .
C79 C80 1.456(4) .
C81 C82 1.445(4) .
C81 C85 1.431(3) .
C82 C83 1.445(4) .
C82 C103 1.388(4) .
C83 C84 1.447(4) .
C83 C108 1.385(4) .
C84 C85 1.447(4) .
C84 C86 1.383(4) .
C86 C87 1.448(4) .
C86 C90 1.443(4) .
C87 C88 1.443(4) .
C87 C107 1.383(4) .
C88 C89 1.443(4) .
C88 C91 1.388(3) .
C89 C90 1.434(3) .
C91 C92 1.439(3) .
C91 C95 1.446(3) .
C92 C93 1.446(3) .
C92 C106 1.386(4) .
C93 C94 1.444(3) .
C93 C96 1.377(3) .
C94 C95 1.432(3) .
C96 C97 1.445(3) .
C96 C100 1.442(3) .
C97 C98 1.446(3) .
C97 C110 1.385(4) .
C98 C99 1.445(3) .
C98 C101 1.381(3) .
C99 C100 1.431(3) .
C101 C102 1.447(4) .
C101 C105 1.447(4) .
C102 C103 1.438(4) .
C102 C109 1.392(4) .
C103 C104 1.446(4) .
C104 C105 1.431(3) .
C106 C107 1.455(4) .
C106 C110 1.447(4) .
C107 C108 1.450(4) .
C108 C109 1.449(4) .
C109 C110 1.447(4) .
