#------------------------------------------------------------------------------
#$Date: 2016-03-26 03:58:05 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180204 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/98/7109828.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_7109828
loop_
_publ_author_name
'Haeri Lee'
'Tae Hwan Noh'
'Ok-Sang Jung'
_publ_section_title
;
 Reversible supra-channel effects: 3D kagome structure and catalysis via a
 molecular array of 1D coordination polymers
;
_journal_name_full               Chem.Commun.
_journal_page_first              9182
_journal_paper_doi               10.1039/c3cc45587d
_journal_volume                  49
_journal_year                    2013
_chemical_formula_sum            'C161 H142 Cl28 Cu3 N12 O54'
_chemical_formula_weight         4292.09
_chemical_name_systematic
;
?
;
_space_group_IT_number           165
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-P 3 2"c'
_symmetry_space_group_name_H-M   'P -3 c 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                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            2
_cell_length_a                   22.6009(4)
_cell_length_b                   22.6009(4)
_cell_length_c                   22.3136(6)
_cell_measurement_reflns_used    1458
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      16.86
_cell_measurement_theta_min      2.75
_cell_volume                     9870.8(4)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker Breeze CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1777
_diffrn_reflns_av_sigmaI/netI    0.1267
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            49309
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.80
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.779
_exptl_absorpt_correction_T_max  0.8473
_exptl_absorpt_correction_T_min  0.7561
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.444
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             4374
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.22
_refine_diff_density_max         1.140
_refine_diff_density_min         -0.756
_refine_diff_density_rms         0.120
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.021
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     413
_refine_ls_number_reflns         6472
_refine_ls_number_restraints     21
_refine_ls_restrained_S_all      4.271
_refine_ls_R_factor_all          0.2036
_refine_ls_R_factor_gt           0.0917
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1677P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2457
_refine_ls_wR_factor_ref         0.3174
_reflns_number_gt                2794
_reflns_number_total             6472
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3cc45587d.txt
_cod_data_source_block           aa
_cod_original_sg_symbol_H-M      P-3c1
_cod_database_code               7109828
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'y, x, -z+1/2'
'x-y, -y, -z+1/2'
'-x, -x+y, -z+1/2'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-y, -x, z-1/2'
'-x+y, y, z-1/2'
'x, x-y, 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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Cu1 Cu 0.5051(2) 0.0000 0.2500 0.0373(16) Uani 1 2 d S . .
Cl1 Cl 0.4138(8) 0.2019(6) 0.7176(5) 0.094(4) Uani 1 1 d . . .
Cl2 Cl 0.6667 0.3333 0.0978(12) 0.098(7) Uani 1 3 d S . .
Cl3 Cl 0.617(3) 0.302(3) 0.217(3) 0.17(3) Uani 0.33 1 d P . .
Cl4 Cl 0.6429(10) 0.1108(8) -0.0401(7) 0.145(7) Uani 1 1 d . . .
Cl5 Cl 0.5736(7) 0.0007(5) 0.0425(5) 0.091(4) Uani 1 1 d . . .
Cl6 Cl 0.796(4) 0.891(3) 0.296(4) 0.31(4) Uani 0.50 1 d PD . .
Cl7 Cl 0.882(3) 1.032(3) 0.313(6) 0.52(11) Uani 0.50 1 d PD . .
O1 O 0.7187(12) 0.2440(11) 0.4301(11) 0.056(6) Uani 1 1 d . . .
O2 O 0.7084(10) 0.1422(10) 0.4079(9) 0.041(5) Uani 1 1 d . . .
O3 O 0.6790(12) 0.0545(12) 0.5751(10) 0.056(6) Uani 1 1 d . . .
O4 O 0.7020(11) 0.1528(11) 0.5301(10) 0.049(6) Uani 1 1 d . . .
O5 O 0.6111(13) 0.0000 0.2500 0.046(8) Uani 1 2 d S . .
O6 O 0.3904(14) 0.0000 0.2500 0.051(8) Uani 1 2 d S . .
O7 O 0.417(2) 0.2597(16) 0.7004(19) 0.149(17) Uani 1 1 d D A .
O8 O 0.3954(18) 0.1506(15) 0.6769(15) 0.103(11) Uani 1 1 d . A .
O9 O 0.437(4) 0.195(2) 0.770(2) 0.24(4) Uani 1 1 d . A .
O10 O 0.331(5) 0.163(5) 0.743(5) 0.17(4) Uani 0.50 1 d PU A 1
O10' O 0.497(4) 0.245(6) 0.702(5) 0.22(5) Uani 0.50 1 d PDU A 2
N1 N 0.5447(12) 0.0875(12) 0.2975(11) 0.038(6) Uani 1 1 d . . .
N2 N 0.5269(13) 0.0575(12) 0.6752(11) 0.040(6) Uani 1 1 d . . .
C1 C 0.5202(17) 0.1310(16) 0.2917(15) 0.048(8) Uani 1 1 d . . .
H1 H 0.4831 0.1191 0.2651 0.058 Uiso 1 1 calc R . .
C2 C 0.5468(18) 0.1918(18) 0.3226(16) 0.056(10) Uani 1 1 d . . .
H2 H 0.5278 0.2207 0.3178 0.068 Uiso 1 1 calc R . .
C3 C 0.6005(16) 0.2098(17) 0.3602(16) 0.051(9) Uani 1 1 d . . .
H3 H 0.6188 0.2512 0.3824 0.061 Uiso 1 1 calc R . .
C4 C 0.6286(15) 0.1678(15) 0.3662(14) 0.041(8) Uani 1 1 d . . .
C5 C 0.5986(15) 0.1064(15) 0.3352(13) 0.039(7) Uani 1 1 d . . .
H5 H 0.6163 0.0764 0.3405 0.047 Uiso 1 1 calc R . .
C6 C 0.6896(16) 0.1907(16) 0.4050(14) 0.040(8) Uani 1 1 d . . .
C7 C 0.7651(16) 0.1561(15) 0.4424(14) 0.039(7) Uani 1 1 d . . .
C8 C 0.8218(16) 0.1636(15) 0.4159(16) 0.046(8) Uani 1 1 d . . .
H8 H 0.8243 0.1629 0.3734 0.055 Uiso 1 1 calc R . .
C9 C 0.8780(16) 0.1724(16) 0.4509(18) 0.050(9) Uani 1 1 d . . .
C10 C 0.9385(18) 0.1793(19) 0.425(2) 0.073(12) Uani 1 1 d . . .
H10 H 0.9413 0.1771 0.3824 0.087 Uiso 1 1 calc R . .
C11 C 0.992(2) 0.189(2) 0.458(3) 0.097(16) Uani 1 1 d . . .
H11 H 1.0316 0.1926 0.4403 0.117 Uiso 1 1 calc R . .
C12 C 0.988(2) 0.193(2) 0.522(3) 0.105(19) Uani 1 1 d . . .
H12 H 1.0259 0.2018 0.5454 0.126 Uiso 1 1 calc R . .
C13 C 0.930(2) 0.1860(19) 0.550(2) 0.076(13) Uani 1 1 d . . .
H13 H 0.9279 0.1872 0.5925 0.091 Uiso 1 1 calc R . .
C14 C 0.8749(17) 0.1766(17) 0.5136(18) 0.054(9) Uani 1 1 d . . .
C15 C 0.8150(18) 0.1695(16) 0.5403(17) 0.056(10) Uani 1 1 d . . .
H15 H 0.8123 0.1722 0.5826 0.067 Uiso 1 1 calc R . .
C16 C 0.7611(16) 0.1586(15) 0.5054(15) 0.043(8) Uani 1 1 d . . .
C17 C 0.6662(17) 0.0994(18) 0.5674(15) 0.049(9) Uani 1 1 d . . .
C18 C 0.5751(16) 0.0567(16) 0.6411(13) 0.041(8) Uani 1 1 d . . .
H18 H 0.5856 0.0214 0.6478 0.049 Uiso 1 1 calc R . .
C19 C 0.6096(16) 0.1028(16) 0.5979(15) 0.044(8) Uani 1 1 d . . .
C20 C 0.5945(17) 0.1540(17) 0.5865(16) 0.053(9) Uani 1 1 d . . .
H20 H 0.6190 0.1880 0.5571 0.063 Uiso 1 1 calc R . .
C21 C 0.5417(18) 0.1540(16) 0.6201(16) 0.054(9) Uani 1 1 d . . .
H21 H 0.5278 0.1866 0.6124 0.064 Uiso 1 1 calc R . .
C22 C 0.5111(17) 0.1061(16) 0.6640(15) 0.049(8) Uani 1 1 d . . .
H22 H 0.4769 0.1073 0.6878 0.059 Uiso 1 1 calc R . .
C23 C 0.664(2) 0.0000 0.2500 0.043(11) Uani 1 2 d S . .
C24 C 0.6922(19) -0.0141(19) 0.1963(18) 0.066(11) Uani 1 1 d . . .
H24A H 0.6614 -0.0228 0.1624 0.079 Uiso 1 1 calc R . .
H24B H 0.6969 -0.0544 0.2033 0.079 Uiso 1 1 calc R . .
H24C H 0.7371 0.0253 0.1874 0.079 Uiso 1 1 calc R . .
C25 C 0.336(3) 0.0000 0.2500 0.062(14) Uani 1 2 d S . .
C26 C 0.313(2) 0.024(2) 0.303(2) 0.090(15) Uani 1 1 d . . .
H26A H 0.3473 0.0383 0.3347 0.109 Uiso 1 1 calc R . .
H26B H 0.2693 -0.0129 0.3169 0.109 Uiso 1 1 calc R . .
H26C H 0.3082 0.0632 0.2906 0.109 Uiso 1 1 calc R . .
C27 C 0.6667 0.3333 0.174(8) 0.27(8) Uani 1 3 d SD . .
H27A H 0.6647 0.3121 0.1632 0.325 Uiso 0.33 1 d PRD . .
H27B H 0.6667 0.3333 0.2006 0.325 Uiso 1 3 d SRD . .
C28 C 0.651(2) 0.062(2) 0.015(2) 0.094(16) Uani 1 1 d . . .
H28A H 0.6754 0.0389 -0.0026 0.112 Uiso 1 1 calc R . .
H28B H 0.6798 0.0916 0.0476 0.112 Uiso 1 1 calc R . .
C29 C 0.866(6) 0.954(4) 0.324(8) 0.27(8) Uani 0.50 1 d PD . .
H29A H 0.9049 0.9501 0.3070 0.325 Uiso 0.50 1 calc PR . .
H29B H 0.8658 0.9465 0.3675 0.325 Uiso 0.50 1 calc PR . .
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'
Cu Cu 0.3201 1.2651 '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
N2 Cu1 N2 175.8(15) 11_655 7_656
N2 Cu1 N1 87.7(9) 11_655 .
N2 Cu1 N1 92.1(9) 7_656 .
N2 Cu1 N1 92.1(9) 11_655 5
N2 Cu1 N1 87.7(9) 7_656 5
N1 Cu1 N1 174.6(14) . 5
N2 Cu1 O5 92.1(7) 11_655 .
N2 Cu1 O5 92.1(7) 7_656 .
N1 Cu1 O5 92.7(7) . .
N1 Cu1 O5 92.7(7) 5 .
O9 Cl1 O7 123(3) . .
O9 Cl1 O8 117(3) . .
O7 Cl1 O8 119(2) . .
O9 Cl1 O10' 81(5) . .
O7 Cl1 O10' 83(3) . .
O8 Cl1 O10' 98(4) . .
O9 Cl1 O10 93(5) . .
O7 Cl1 O10 96(4) . .
O8 Cl1 O10 89(4) . .
O10' Cl1 O10 172(5) . .
C27 Cl2 H27A 17.5 . .
C27 Cl3 Cl3 52(5) . 3_665
C27 Cl3 Cl3 52(5) . 2_655
Cl3 Cl3 Cl3 60.000(16) 3_665 2_655
C27 Cl3 H27A 19.3 . .
Cl3 Cl3 H27A 70.1 3_665 .
Cl3 Cl3 H27A 51.1 2_655 .
C27 Cl3 H27B 23.7 . .
Cl3 Cl3 H27B 35.9 3_665 .
Cl3 Cl3 H27B 35.9 2_655 .
H27A Cl3 H27B 37.1 . .
C6 O2 C7 118(2) . .
C17 O4 C16 117(3) . .
C23 O5 Cu1 180.000(3) . .
C1 N1 C5 117(3) . .
C1 N1 Cu1 121(2) . .
C5 N1 Cu1 121(2) . .
C18 N2 C22 117(3) . .
C18 N2 Cu1 120(2) . 7_656
C22 N2 Cu1 122(2) . 7_656
N1 C1 C2 123(3) . .
N1 C1 H1 118.5 . .
C2 C1 H1 118.5 . .
C3 C2 C1 119(3) . .
C3 C2 H2 120.4 . .
C1 C2 H2 120.4 . .
C2 C3 C4 120(3) . .
C2 C3 H3 120.0 . .
C4 C3 H3 120.0 . .
C3 C4 C5 118(3) . .
C3 C4 C6 119(3) . .
C5 C4 C6 123(3) . .
N1 C5 C4 122(3) . .
N1 C5 H5 118.8 . .
C4 C5 H5 118.8 . .
O1 C6 O2 124(3) . .
O1 C6 C4 125(3) . .
O2 C6 C4 111(3) . .
C8 C7 O2 120(3) . .
C8 C7 C16 121(3) . .
O2 C7 C16 119(3) . .
C7 C8 C9 120(3) . .
C7 C8 H8 119.8 . .
C9 C8 H8 119.8 . .
C14 C9 C8 119(3) . .
C14 C9 C10 119(3) . .
C8 C9 C10 122(4) . .
C11 C10 C9 122(5) . .
C11 C10 H10 119.2 . .
C9 C10 H10 119.2 . .
C10 C11 C12 119(5) . .
C10 C11 H11 120.7 . .
C12 C11 H11 120.7 . .
C13 C12 C11 123(4) . .
C13 C12 H12 118.6 . .
C11 C12 H12 118.6 . .
C12 C13 C14 117(5) . .
C12 C13 H13 121.3 . .
C14 C13 H13 121.3 . .
C9 C14 C15 119(3) . .
C9 C14 C13 121(4) . .
C15 C14 C13 120(4) . .
C16 C15 C14 120(3) . .
C16 C15 H15 120.0 . .
C14 C15 H15 120.0 . .
C15 C16 O4 122(3) . .
C15 C16 C7 120(3) . .
O4 C16 C7 118(3) . .
O3 C17 O4 124(3) . .
O3 C17 C19 124(3) . .
O4 C17 C19 113(3) . .
N2 C18 C19 124(3) . .
N2 C18 H18 118.0 . .
C19 C18 H18 118.0 . .
C18 C19 C20 119(3) . .
C18 C19 C17 118(3) . .
C20 C19 C17 123(3) . .
C19 C20 C21 118(3) . .
C19 C20 H20 121.1 . .
C21 C20 H20 121.1 . .
C22 C21 C20 118(3) . .
C22 C21 H21 120.8 . .
C20 C21 H21 120.8 . .
N2 C22 C21 123(3) . .
N2 C22 H22 118.4 . .
C21 C22 H22 118.4 . .
O5 C23 C24 123(2) . 5
O5 C23 C24 123(2) . .
C24 C23 C24 114(4) 5 .
C23 C24 H24A 109.5 . .
C23 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
C23 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
O6 C25 C26 122(3) . 5
O6 C25 C26 122(3) . .
C26 C25 C26 116(5) 5 .
C25 C26 H26A 109.5 . .
C25 C26 H26B 109.5 . .
H26A C26 H26B 109.5 . .
C25 C26 H26C 109.5 . .
H26A C26 H26C 109.5 . .
H26B C26 H26C 109.5 . .
Cl3 C27 Cl3 76(9) 3_665 .
Cl3 C27 Cl3 76(9) 3_665 2_655
Cl3 C27 Cl3 76(9) . 2_655
Cl3 C27 Cl2 134(6) 3_665 .
Cl3 C27 Cl2 134(6) . .
Cl3 C27 Cl2 134(6) 2_655 .
Cl3 C27 H27A 159.4 3_665 .
Cl3 C27 H27A 100.4 . .
Cl3 C27 H27A 83.0 2_655 .
Cl2 C27 H27A 61.7 . .
Cl3 C27 H27B 45.6 3_665 .
Cl3 C27 H27B 45.6 . .
Cl3 C27 H27B 45.6 2_655 .
Cl2 C27 H27B 180.0 . .
H27A C27 H27B 118.3 . .
Cl5 C28 Cl4 112(2) . .
Cl5 C28 H28A 109.2 . .
Cl4 C28 H28A 109.2 . .
Cl5 C28 H28B 109.2 . .
Cl4 C28 H28B 109.2 . .
H28A C28 H28B 107.9 . .
Cl6 C29 Cl7 118.4(11) . .
Cl6 C29 H29A 107.7 . .
Cl7 C29 H29A 107.7 . .
Cl6 C29 H29B 107.7 . .
Cl7 C29 H29B 107.7 . .
H29A C29 H29B 107.1 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 N2 2.01(2) 11_655
Cu1 N2 2.01(2) 7_656
Cu1 N1 2.02(2) .
Cu1 N1 2.02(2) 5
Cu1 O5 2.39(3) .
Cl1 O9 1.33(4) .
Cl1 O7 1.33(3) .
Cl1 O8 1.36(3) .
Cl1 O10' 1.67(9) .
Cl1 O10 1.72(10) .
Cl2 C27 1.71(17) .
Cl2 H27A 1.5293 .
Cl3 C27 1.37(11) .
Cl3 Cl3 1.69(11) 3_665
Cl3 Cl3 1.69(11) 2_655
Cl3 H27A 1.5484 .
Cl3 H27B 1.0440 .
Cl4 C28 1.72(5) .
Cl5 C28 1.72(4) .
Cl6 C29 1.630(6) .
Cl7 C29 1.630(9) .
O1 C6 1.18(3) .
O2 C6 1.36(3) .
O2 C7 1.39(3) .
O3 C17 1.20(4) .
O4 C17 1.35(4) .
O4 C16 1.39(4) .
O5 C23 1.20(5) .
O6 C25 1.22(6) .
N1 C1 1.36(4) .
N1 C5 1.36(4) .
N2 C18 1.34(4) .
N2 C22 1.34(4) .
N2 Cu1 2.01(2) 7_656
C1 C2 1.38(4) .
C1 H1 0.9500 .
C2 C3 1.36(4) .
C2 H2 0.9500 .
C3 C4 1.39(4) .
C3 H3 0.9500 .
C4 C5 1.39(4) .
C4 C6 1.48(4) .
C5 H5 0.9500 .
C7 C8 1.34(4) .
C7 C16 1.41(4) .
C8 C9 1.42(5) .
C8 H8 0.9500 .
C9 C14 1.40(5) .
C9 C10 1.42(5) .
C10 C11 1.34(6) .
C10 H10 0.9500 .
C11 C12 1.43(8) .
C11 H11 0.9500 .
C12 C13 1.37(7) .
C12 H12 0.9500 .
C13 C14 1.42(5) .
C13 H13 0.9500 .
C14 C15 1.41(5) .
C15 C16 1.36(4) .
C15 H15 0.9500 .
C17 C19 1.48(4) .
C18 C19 1.35(4) .
C18 H18 0.9500 .
C19 C20 1.38(4) .
C20 C21 1.41(5) .
C20 H20 0.9500 .
C21 C22 1.36(4) .
C21 H21 0.9500 .
C22 H22 0.9500 .
C23 C24 1.46(4) 5
C23 C24 1.46(4) .
C24 H24A 0.9800 .
C24 H24B 0.9800 .
C24 H24C 0.9800 .
C25 C26 1.49(5) 5
C25 C26 1.49(5) .
C26 H26A 0.9800 .
C26 H26B 0.9800 .
C26 H26C 0.9800 .
C27 Cl3 1.37(11) 3_665
C27 Cl3 1.37(11) 2_655
C27 H27A 0.5214 .
C27 H27B 0.5877 .
C28 H28A 0.9900 .
C28 H28B 0.9900 .
C29 H29A 0.9900 .
C29 H29B 0.9900 .
