#------------------------------------------------------------------------------
#$Date: 2021-01-07 07:11:24 +0100 (jue 07 de ene de 2021) $
#$Revision: 260733 $
#$URL: svn://www.crystallography.net/cod/cif/7/70/57/7705705.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_7705705
loop_
_publ_author_name
'Hsu, Ying-Feng'
'Chen, Ssu-Ying'
'Maity, Subhendu'
'Liu, Yi-Hung'
'Peng, Shie-Ming'
'Yang, Jye-Shane'
_publ_section_title
;
 A polymorphic pentiptycene-containing gold(I) isocyanide complex:
 solvent- and conformation-dependent supramolecular luminescence.
;
_journal_issue                   44
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              15602
_journal_page_last               15606
_journal_paper_doi               10.1039/d0dt03105d
_journal_volume                  49
_journal_year                    2020
_chemical_formula_sum            'C51 H42 Au Cl3 N O'
_chemical_formula_weight         988.17
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2017/1
_audit_update_record
;
2020-07-20 deposited with the CCDC.	2020-10-19 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 103.027(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.8776(3)
_cell_length_b                   39.0337(7)
_cell_length_c                   9.4164(2)
_cell_measurement_reflns_used    7427
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.6280
_cell_measurement_theta_min      3.4200
_cell_volume                     4253.34(16)
_computing_cell_refinement       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 10.2496
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.950
_diffrn_measurement_device_type  'Xcalibur, Atlas, Gemini'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0381
_diffrn_reflns_av_unetI/netI     0.0556
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.950
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       49
_diffrn_reflns_limit_k_min       -41
_diffrn_reflns_limit_l_max       7
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            19022
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.950
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.496
_diffrn_reflns_theta_min         3.048
_diffrn_source                   'fine-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    3.686
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.08251
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
; 
CrysAlisPro 1.171.39.46 (Rigaku Oxford Diffraction, 2018) 
Empirical absorption correction using spherical harmonics, 
 implemented in SCALE3 ABSPACK scaling algorithm. 
;
_exptl_crystal_density_diffrn    1.543
_exptl_crystal_description       plate
_exptl_crystal_F_000             1972
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.737
_refine_diff_density_min         -1.451
_refine_diff_density_rms         0.136
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.080
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     524
_refine_ls_number_reflns         9290
_refine_ls_number_restraints     42
_refine_ls_restrained_S_all      1.167
_refine_ls_R_factor_all          0.0724
_refine_ls_R_factor_gt           0.0525
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0635P)²+11.9784P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1329
_refine_ls_wR_factor_ref         0.1460
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7248
_reflns_number_total             9290
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0dt03105d2.cif
_cod_data_source_block           1BG
_cod_depositor_comments
'Adding full bibliography for 7705704--7705707.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7705705
_shelx_shelxl_version_number     2017/1
_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. 
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
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
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 1.31715(2) 0.46018(2) 1.55106(3) 0.04014(11) Uani 1 1 d . . . . .
O1 O 1.3309(3) 0.27159(10) 2.0463(4) 0.0305(9) Uani 1 1 d . . . . .
N1 N 1.3274(4) 0.39278(12) 1.7321(5) 0.0299(11) Uani 1 1 d . . . . .
C1 C 1.3301(5) 0.30161(14) 1.9695(6) 0.0264(12) Uani 1 1 d . . . . .
C2 C 1.2266(5) 0.31615(14) 1.8960(6) 0.0251(11) Uani 1 1 d . . . . .
C3 C 1.2256(5) 0.34679(14) 1.8175(6) 0.0263(12) Uani 1 1 d . . . . .
C4 C 1.3283(5) 0.36240(14) 1.8130(6) 0.0272(12) Uani 1 1 d . . . . .
C5 C 1.4339(5) 0.34843(14) 1.8861(6) 0.0266(12) Uani 1 1 d . . . . .
C6 C 1.4343(5) 0.31797(14) 1.9651(6) 0.0264(12) Uani 1 1 d . . . . .
C7 C 1.5559(5) 0.30613(15) 2.0397(6) 0.0277(12) Uani 1 1 d . . . . .
H7A H 1.556180 0.284515 2.096826 0.033 Uiso 1 1 calc R U . . .
C8 C 1.6196(5) 0.30268(15) 1.9169(6) 0.0282(12) Uani 1 1 d . . . . .
C9 C 1.6713(5) 0.27370(16) 1.8773(6) 0.0336(13) Uani 1 1 d . . . . .
H9A H 1.669673 0.252795 1.928466 0.040 Uiso 1 1 calc R U . . .
C10 C 1.7258(5) 0.27548(17) 1.7614(6) 0.0346(14) Uani 1 1 d . . . . .
H10A H 1.761172 0.255526 1.733467 0.042 Uiso 1 1 calc R U . . .
C11 C 1.7295(6) 0.30550(17) 1.6865(6) 0.0365(14) Uani 1 1 d . . . . .
H11A H 1.768678 0.306355 1.609114 0.044 Uiso 1 1 calc R U . . .
C12 C 1.6753(5) 0.33479(17) 1.7246(6) 0.0346(14) Uani 1 1 d . . . . .
H12A H 1.677026 0.355581 1.672721 0.042 Uiso 1 1 calc R U . . .
C13 C 1.6194(5) 0.33336(15) 1.8376(6) 0.0289(12) Uani 1 1 d . . . . .
C14 C 1.5547(5) 0.36254(14) 1.8920(6) 0.0280(12) Uani 1 1 d . . . . .
H14A H 1.554298 0.384218 1.835299 0.034 Uiso 1 1 calc R U . . .
C15 C 1.6092(5) 0.36663(15) 2.0532(6) 0.0287(12) Uani 1 1 d . . . . .
C16 C 1.6528(5) 0.39702(17) 2.1215(7) 0.0351(14) Uani 1 1 d . . . . .
H16A H 1.649336 0.417686 2.067451 0.042 Uiso 1 1 calc R U . . .
C17 C 1.7023(6) 0.39655(19) 2.2723(7) 0.0410(15) Uani 1 1 d . . . . .
H17A H 1.732332 0.417049 2.320770 0.049 Uiso 1 1 calc R U . . .
C18 C 1.7071(6) 0.36575(18) 2.3511(7) 0.0392(15) Uani 1 1 d . . . . .
H18A H 1.741924 0.365401 2.452327 0.047 Uiso 1 1 calc R U . . .
C19 C 1.6613(5) 0.33592(18) 2.2815(6) 0.0356(14) Uani 1 1 d . . . . .
H19A H 1.663484 0.315249 2.335304 0.043 Uiso 1 1 calc R U . . .
C20 C 1.6123(5) 0.33629(16) 2.1332(6) 0.0295(12) Uani 1 1 d . . . . .
C21 C 1.1021(5) 0.35841(15) 1.7435(6) 0.0274(12) Uani 1 1 d . . . . .
H21A H 1.100491 0.380215 1.687395 0.033 Uiso 1 1 calc R U . . .
C22 C 1.0487(5) 0.32816(15) 1.6485(6) 0.0278(12) Uani 1 1 d . . . . .
C23 C 0.9962(5) 0.32938(16) 1.5013(6) 0.0325(13) Uani 1 1 d . . . . .
H23A H 0.993068 0.350207 1.448359 0.039 Uiso 1 1 calc R U . . .
C24 C 0.9481(6) 0.29954(17) 1.4325(6) 0.0347(14) Uani 1 1 d . . . . .
H24A H 0.911595 0.300014 1.331789 0.042 Uiso 1 1 calc R U . . .
C25 C 0.9530(5) 0.26890(16) 1.5102(6) 0.0313(13) Uani 1 1 d . . . . .
H25A H 0.920426 0.248638 1.461935 0.038 Uiso 1 1 calc R U . . .
C26 C 1.0060(5) 0.26794(15) 1.6592(6) 0.0280(12) Uani 1 1 d . . . . .
H26A H 1.010860 0.247069 1.712177 0.034 Uiso 1 1 calc R U . . .
C27 C 1.0511(5) 0.29785(15) 1.7278(6) 0.0278(12) Uani 1 1 d . . . . .
C28 C 1.1065(5) 0.30169(14) 1.8896(6) 0.0271(12) Uani 1 1 d . . . . .
H28A H 1.107383 0.279921 1.945761 0.032 Uiso 1 1 calc R U . . .
C29 C 1.0392(5) 0.33073(14) 1.9435(6) 0.0272(12) Uani 1 1 d . . . . .
C30 C 0.9823(5) 0.32867(15) 2.0564(6) 0.0304(13) Uani 1 1 d . . . . .
H30A H 0.983369 0.308017 2.110038 0.036 Uiso 1 1 calc R U . . .
C31 C 0.9233(6) 0.35736(17) 2.0901(6) 0.0345(14) Uani 1 1 d . . . . .
H31A H 0.883853 0.356310 2.167252 0.041 Uiso 1 1 calc R U . . .
C32 C 0.9220(6) 0.38729(17) 2.0114(7) 0.0377(15) Uani 1 1 d . . . . .
H32A H 0.882205 0.406774 2.035660 0.045 Uiso 1 1 calc R U . . .
C33 C 0.9779(6) 0.38924(15) 1.8978(6) 0.0339(14) Uani 1 1 d . . . . .
H33A H 0.976039 0.409840 1.843623 0.041 Uiso 1 1 calc R U . . .
C34 C 1.0368(5) 0.36078(15) 1.8636(6) 0.0286(12) Uani 1 1 d . . . . .
C35 C 1.3250(6) 0.41741(17) 1.6673(7) 0.0393(15) Uani 1 1 d . . . . .
C36 C 1.3071(6) 0.50375(17) 1.4318(7) 0.0383(15) Uani 1 1 d . . . . .
C37 C 1.2227(7) 0.50715(18) 1.2985(8) 0.0497(18) Uani 1 1 d . . . . .
H37A H 1.171708 0.488588 1.265619 0.060 Uiso 1 1 calc R U . . .
C38 C 1.2129(8) 0.53655(18) 1.2160(8) 0.052(2) Uani 1 1 d . . . . .
H38A H 1.159544 0.537618 1.124244 0.063 Uiso 1 1 calc R U . . .
C39 C 1.2823(6) 0.56490(18) 1.2683(8) 0.0474(18) Uani 1 1 d . . . . .
H39A H 1.273527 0.585737 1.214802 0.057 Uiso 1 1 calc R U . . .
C40 C 1.3631(7) 0.56233(19) 1.3973(8) 0.0489(18) Uani 1 1 d . . . . .
H40A H 1.411904 0.581274 1.431382 0.059 Uiso 1 1 calc R U . . .
C41 C 1.3743(7) 0.53236(18) 1.4786(8) 0.0465(17) Uani 1 1 d . . . . .
H41A H 1.429629 0.531428 1.568743 0.056 Uiso 1 1 calc R U . . .
C42 C 1.3448(7) 0.24137(17) 1.9602(8) 0.0473(18) Uani 1 1 d . . . . .
H42A H 1.413795 0.244126 1.918670 0.057 Uiso 1 1 calc R U . . .
H42B H 1.276359 0.238716 1.878675 0.057 Uiso 1 1 calc R U . . .
C43 C 1.3582(8) 0.21062(19) 2.0546(8) 0.055(2) Uani 1 1 d . . . . .
H43A H 1.284443 0.206206 2.083651 0.066 Uiso 1 1 calc R U . . .
H43B H 1.418033 0.215199 2.144311 0.066 Uiso 1 1 calc R U . . .
C44 C 1.3920(9) 0.1787(2) 1.9805(9) 0.065(2) Uani 1 1 d . . . . .
H44A H 1.458382 0.184834 1.938036 0.078 Uiso 1 1 calc R U . . .
H44B H 1.419731 0.161374 2.057046 0.078 Uiso 1 1 calc R U . . .
C45 C 1.3032(8) 0.1623(2) 1.8644(9) 0.062(2) Uani 1 1 d . . . . .
H45A H 1.278168 0.178537 1.782584 0.074 Uiso 1 1 calc R U . . .
H45B H 1.234865 0.156332 1.903237 0.074 Uiso 1 1 calc R U . . .
C46 C 1.3541(8) 0.1284(2) 1.8066(10) 0.059(2) Uani 1 1 d . . . . .
H46A H 1.420542 0.134777 1.764745 0.071 Uiso 1 1 calc R U . . .
H46B H 1.383195 0.112959 1.890318 0.071 Uiso 1 1 calc R U . . .
C47 C 1.2682(9) 0.1095(2) 1.6947(9) 0.068(2) Uani 1 1 d . . . . .
H47A H 1.239471 0.124887 1.610651 0.081 Uiso 1 1 calc R U . . .
H47B H 1.201565 0.103225 1.736320 0.081 Uiso 1 1 calc R U . . .
C48 C 1.3167(9) 0.0776(2) 1.6417(10) 0.066(2) Uani 1 1 d . . . . .
H48A H 1.386066 0.083733 1.605454 0.079 Uiso 1 1 calc R U . . .
H48B H 1.341212 0.061677 1.724765 0.079 Uiso 1 1 calc R U . . .
C49 C 1.2330(10) 0.0596(3) 1.5235(11) 0.081(3) Uani 1 1 d . . . . .
H49A H 1.269507 0.039158 1.493789 0.122 Uiso 1 1 calc R U . . .
H49B H 1.164781 0.052951 1.559148 0.122 Uiso 1 1 calc R U . . .
H49C H 1.209671 0.075024 1.439744 0.122 Uiso 1 1 calc R U . . .
C50 C 0.9512(16) 0.4694(4) 1.4227(12) 0.152(5) Uani 1 1 d D U . . .
Cl1 Cl 0.9014(4) 0.47581(12) 1.2389(4) 0.1341(14) Uani 1 1 d D U . . .
Cl2 Cl 0.9637(6) 0.43454(16) 1.5140(7) 0.084(3) Uani 0.474(11) 1 d . U P A 1
Cl2' Cl 1.0064(5) 0.42927(17) 1.4086(11) 0.112(3) Uani 0.526(11) 1 d D U P A 2
C51 C 0.4677(7) 0.52007(19) 0.1049(8) 0.0513(18) Uani 1 1 d D U . . .
Cl3 Cl 0.5811(7) 0.49023(17) 0.1130(7) 0.221(3) Uani 1 1 d D U . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 '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
_geom_angle_publ_flag
C35 Au1 C36 179.3(3) . . ?
C1 O1 C42 112.6(4) . . ?
C35 N1 C4 178.9(7) . . ?
O1 C1 C2 120.7(5) . . ?
O1 C1 C6 120.1(5) . . ?
C2 C1 C6 119.2(5) . . ?
C1 C2 C3 120.8(5) . . ?
C1 C2 C28 125.8(5) . . ?
C3 C2 C28 113.5(5) . . ?
C4 C3 C2 119.5(5) . . ?
C4 C3 C21 128.1(5) . . ?
C2 C3 C21 112.4(5) . . ?
C3 C4 C5 121.1(5) . . ?
C3 C4 N1 119.5(5) . . ?
C5 C4 N1 119.4(5) . . ?
C4 C5 C6 119.1(5) . . ?
C4 C5 C14 127.5(5) . . ?
C6 C5 C14 113.3(5) . . ?
C5 C6 C1 120.3(5) . . ?
C5 C6 C7 113.0(5) . . ?
C1 C6 C7 126.7(5) . . ?
C8 C7 C6 104.9(4) . . ?
C8 C7 C20 106.1(5) . . ?
C6 C7 C20 106.1(5) . . ?
C9 C8 C13 120.1(5) . . ?
C9 C8 C7 127.3(5) . . ?
C13 C8 C7 112.6(5) . . ?
C8 C9 C10 119.1(6) . . ?
C11 C10 C9 121.3(6) . . ?
C10 C11 C12 119.8(6) . . ?
C13 C12 C11 119.7(6) . . ?
C12 C13 C8 120.0(6) . . ?
C12 C13 C14 126.6(5) . . ?
C8 C13 C14 113.4(5) . . ?
C15 C14 C5 105.1(4) . . ?
C15 C14 C13 106.3(5) . . ?
C5 C14 C13 105.0(5) . . ?
C16 C15 C20 120.7(5) . . ?
C16 C15 C14 125.6(5) . . ?
C20 C15 C14 113.7(5) . . ?
C15 C16 C17 118.8(6) . . ?
C18 C17 C16 120.0(6) . . ?
C19 C18 C17 120.2(6) . . ?
C18 C19 C20 119.9(6) . . ?
C19 C20 C15 120.3(6) . . ?
C19 C20 C7 127.0(5) . . ?
C15 C20 C7 112.7(5) . . ?
C34 C21 C22 105.7(5) . . ?
C34 C21 C3 106.1(4) . . ?
C22 C21 C3 105.3(5) . . ?
C23 C22 C27 120.9(5) . . ?
C23 C22 C21 126.3(5) . . ?
C27 C22 C21 112.6(5) . . ?
C22 C23 C24 118.8(6) . . ?
C23 C24 C25 120.6(5) . . ?
C24 C25 C26 120.2(5) . . ?
C27 C26 C25 118.9(5) . . ?
C26 C27 C22 120.5(5) . . ?
C26 C27 C28 125.8(5) . . ?
C22 C27 C28 113.8(5) . . ?
C2 C28 C27 105.4(4) . . ?
C2 C28 C29 105.4(4) . . ?
C27 C28 C29 105.3(4) . . ?
C30 C29 C34 120.7(5) . . ?
C30 C29 C28 126.2(5) . . ?
C34 C29 C28 113.1(5) . . ?
C29 C30 C31 119.0(5) . . ?
C32 C31 C30 120.1(6) . . ?
C31 C32 C33 120.8(6) . . ?
C32 C33 C34 119.3(6) . . ?
C33 C34 C29 120.0(5) . . ?
C33 C34 C21 126.3(5) . . ?
C29 C34 C21 113.7(5) . . ?
N1 C35 Au1 178.7(6) . . ?
C41 C36 C37 116.5(6) . . ?
C41 C36 Au1 122.8(5) . . ?
C37 C36 Au1 120.5(5) . . ?
C38 C37 C36 121.9(7) . . ?
C37 C38 C39 119.5(7) . . ?
C40 C39 C38 119.5(6) . . ?
C39 C40 C41 120.8(7) . . ?
C36 C41 C40 121.8(7) . . ?
O1 C42 C43 109.4(6) . . ?
C42 C43 C44 113.0(6) . . ?
C45 C44 C43 118.3(8) . . ?
C44 C45 C46 110.3(8) . . ?
C47 C46 C45 113.5(7) . . ?
C46 C47 C48 113.1(8) . . ?
C49 C48 C47 113.4(9) . . ?
Cl2 C50 Cl1 129.4(10) . . ?
Cl2' C50 Cl1 96.1(8) . . ?
Cl3 C51 Cl3 87.4(5) . 3_665 ?
C51 Cl3 C51 92.6(5) . 3_665 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Au1 C35 1.987(7) . ?
Au1 C36 2.027(6) . ?
O1 C1 1.376(6) . ?
O1 C42 1.461(8) . ?
N1 C35 1.136(8) . ?
N1 C4 1.408(7) . ?
C1 C2 1.388(8) . ?
C1 C6 1.402(8) . ?
C2 C3 1.405(7) . ?
C2 C28 1.523(8) . ?
C3 C4 1.372(8) . ?
C3 C21 1.544(8) . ?
C4 C5 1.399(8) . ?
C5 C6 1.402(7) . ?
C5 C14 1.526(8) . ?
C6 C7 1.528(7) . ?
C7 C8 1.524(8) . ?
C7 C20 1.531(8) . ?
C8 C9 1.378(8) . ?
C8 C13 1.411(8) . ?
C9 C10 1.390(9) . ?
C10 C11 1.373(9) . ?
C11 C12 1.398(9) . ?
C12 C13 1.376(9) . ?
C13 C14 1.526(8) . ?
C14 C15 1.518(8) . ?
C15 C16 1.393(8) . ?
C15 C20 1.400(8) . ?
C16 C17 1.409(9) . ?
C17 C18 1.407(10) . ?
C18 C19 1.386(9) . ?
C19 C20 1.386(8) . ?
C21 C34 1.512(8) . ?
C21 C22 1.530(8) . ?
C22 C23 1.387(8) . ?
C22 C27 1.396(8) . ?
C23 C24 1.391(9) . ?
C24 C25 1.396(9) . ?
C25 C26 1.404(8) . ?
C26 C27 1.382(8) . ?
C27 C28 1.524(7) . ?
C28 C29 1.538(8) . ?
C29 C30 1.384(8) . ?
C29 C34 1.390(8) . ?
C30 C31 1.395(8) . ?
C31 C32 1.382(9) . ?
C32 C33 1.382(9) . ?
C33 C34 1.388(8) . ?
C36 C41 1.386(10) . ?
C36 C37 1.425(10) . ?
C37 C38 1.376(9) . ?
C38 C39 1.402(10) . ?
C39 C40 1.371(10) . ?
C40 C41 1.388(10) . ?
C42 C43 1.481(9) . ?
C43 C44 1.524(11) . ?
C44 C45 1.484(12) . ?
C45 C46 1.601(11) . ?
C46 C47 1.487(12) . ?
C47 C48 1.505(12) . ?
C48 C49 1.489(14) . ?
C50 Cl2 1.600(15) . ?
C50 Cl2' 1.715(14) . ?
C50 Cl1 1.716(10) . ?
C51 Cl3 1.769(10) . ?
C51 Cl3 2.042(9) 3_665 ?
