#------------------------------------------------------------------------------
#$Date: 2016-03-21 07:11:35 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178552 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/59/4065989.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_4065989
loop_
_publ_author_name
'Yu, Wei-Bin'
'Han, Ying-Feng'
'Lin, Yue-Jian'
'Jin, Guo-Xin'
_publ_section_title
;
 Cleavage of C−H Bonds for Building Tetranuclear Half-Sandwich
 Iridium Macrocycles with Ortho-Metalated Spacers
;
_journal_issue                   12
_journal_name_full               Organometallics
_journal_page_first              2827
_journal_paper_doi               10.1021/om1002396
_journal_volume                  29
_journal_year                    2010
_chemical_formula_sum            'C66 H92 Ir4 N4 O16'
_chemical_formula_weight         1966.24
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 110.514(14)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   11.306(11)
_cell_length_b                   22.39(2)
_cell_length_c                   14.133(14)
_cell_measurement_reflns_used    718
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.001
_cell_measurement_theta_min      2.196
_cell_volume                     3351(6)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_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      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.1099
_diffrn_reflns_av_sigmaI/netI    0.1841
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            13739
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.79
_diffrn_standards_decay_%        7.14
_exptl_absorpt_coefficient_mu    7.987
_exptl_absorpt_correction_T_max  0.6909
_exptl_absorpt_correction_T_min  0.4474
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.949
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1904
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.05
_refine_diff_density_max         2.946
_refine_diff_density_min         -2.092
_refine_diff_density_rms         0.248
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.806
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     432
_refine_ls_number_reflns         5910
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      0.806
_refine_ls_R_factor_all          0.1271
_refine_ls_R_factor_gt           0.0602
_refine_ls_shift/su_max          0.007
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0616P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1225
_refine_ls_wR_factor_ref         0.1377
_reflns_number_gt                2954
_reflns_number_total             5910
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om1002396_si_001.cif
_cod_data_source_block           f81015c
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               4065989
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Ir1 Ir 0.90074(6) 0.40928(3) 0.16591(5) 0.0381(2) Uani 1 1 d .
Ir2 Ir 0.83509(7) 0.32610(3) 0.61218(5) 0.0397(2) Uani 1 1 d .
N1 N 0.9040(12) 0.3941(5) 0.3138(9) 0.037(3) Uani 1 1 d .
N2 N 0.8789(12) 0.3623(6) 0.4897(10) 0.044(4) Uani 1 1 d .
O1 O 1.0970(10) 0.3923(4) 0.2286(8) 0.043(3) Uani 1 1 d .
O2 O 1.2843(11) 0.4326(5) 0.3107(10) 0.063(4) Uani 1 1 d .
O3 O 0.9715(10) 0.6917(4) 0.3268(9) 0.043(3) Uani 1 1 d .
O4 O 0.7808(12) 0.6513(5) 0.2516(10) 0.063(4) Uani 1 1 d .
C1 C 0.9681(15) 0.4909(7) 0.2170(11) 0.037(4) Uani 1 1 d U
C2 C 0.9039(15) 0.5421(7) 0.2173(12) 0.043(4) Uani 1 1 d .
H2 H 0.8169 0.5431 0.1840 0.052 Uiso 1 1 calc R
C3 C 0.9669(16) 0.5940(7) 0.2673(12) 0.038(4) Uani 1 1 d .
C4 C 1.1020(16) 0.5953(7) 0.3167(12) 0.039(4) Uani 1 1 d .
C5 C 1.1610(14) 0.5439(7) 0.3125(11) 0.033(4) Uani 1 1 d .
H5 H 1.2484 0.5421 0.3429 0.039 Uiso 1 1 calc R
C6 C 1.0976(15) 0.4939(6) 0.2654(12) 0.035(4) Uani 1 1 d .
C7 C 1.1681(17) 0.4368(7) 0.2703(12) 0.040(4) Uani 1 1 d .
C8 C 0.8988(18) 0.6476(8) 0.2798(12) 0.046(4) Uani 1 1 d .
C9 C 0.9643(16) 0.3467(7) 0.3621(12) 0.046(4) Uani 1 1 d .
H9 H 1.0146 0.3243 0.3356 0.055 Uiso 1 1 calc R
C10 C 0.9520(15) 0.3304(6) 0.4533(13) 0.044(4) Uani 1 1 d .
H10 H 0.9949 0.2973 0.4885 0.053 Uiso 1 1 calc R
C11 C 0.8267(15) 0.4105(7) 0.4442(12) 0.044(4) Uani 1 1 d .
H11 H 0.7804 0.4344 0.4723 0.053 Uiso 1 1 calc R
C12 C 0.8388(15) 0.4268(7) 0.3545(15) 0.051(5) Uani 1 1 d .
H12 H 0.8002 0.4616 0.3223 0.062 Uiso 1 1 calc R
C13 C 0.7103(18) 0.4086(7) 0.0719(15) 0.059(5) Uani 1 1 d .
C14 C 0.7786(17) 0.4291(8) 0.0145(13) 0.053(5) Uani 1 1 d .
C15 C 0.8652(16) 0.3845(8) 0.0109(13) 0.053(5) Uani 1 1 d .
C16 C 0.8406(15) 0.3337(7) 0.0589(13) 0.042(4) Uani 1 1 d .
C17 C 0.7411(15) 0.3474(7) 0.0942(13) 0.050(5) Uani 1 1 d .
C18 C 0.5965(18) 0.4376(8) 0.0885(16) 0.078(6) Uani 1 1 d .
H18A H 0.6146 0.4789 0.1062 0.117 Uiso 1 1 calc R
H18B H 0.5795 0.4173 0.1423 0.117 Uiso 1 1 calc R
H18C H 0.5240 0.4348 0.0277 0.117 Uiso 1 1 calc R
C19 C 0.763(2) 0.4900(8) -0.0389(16) 0.094(8) Uani 1 1 d .
H19A H 0.7068 0.4859 -0.1075 0.141 Uiso 1 1 calc R
H19B H 0.8440 0.5036 -0.0382 0.141 Uiso 1 1 calc R
H19C H 0.7292 0.5183 -0.0044 0.141 Uiso 1 1 calc R
C20 C 0.9653(17) 0.3883(9) -0.0363(13) 0.071(6) Uani 1 1 d .
H20A H 1.0410 0.3694 0.0071 0.107 Uiso 1 1 calc R
H20B H 0.9824 0.4295 -0.0455 0.107 Uiso 1 1 calc R
H20C H 0.9363 0.3685 -0.1006 0.107 Uiso 1 1 calc R
C21 C 0.9082(18) 0.2756(8) 0.0728(14) 0.077(6) Uani 1 1 d .
H21A H 0.8845 0.2551 0.0092 0.115 Uiso 1 1 calc R
H21B H 0.8860 0.2517 0.1204 0.115 Uiso 1 1 calc R
H21C H 0.9977 0.2825 0.0978 0.115 Uiso 1 1 calc R
C22 C 0.6861(19) 0.3072(8) 0.1520(16) 0.078(6) Uani 1 1 d .
H22A H 0.6093 0.2899 0.1069 0.117 Uiso 1 1 calc R
H22B H 0.6683 0.3298 0.2033 0.117 Uiso 1 1 calc R
H22C H 0.7452 0.2760 0.1832 0.117 Uiso 1 1 calc R
C23 C 0.6344(15) 0.3178(7) 0.5425(13) 0.042(4) Uani 1 1 d .
C24 C 0.6874(17) 0.2651(8) 0.5184(15) 0.053(5) Uani 1 1 d .
C25 C 0.7568(15) 0.2352(7) 0.6013(14) 0.045(4) Uani 1 1 d .
C26 C 0.7457(17) 0.2671(9) 0.6902(13) 0.056(5) Uani 1 1 d .
C27 C 0.6700(17) 0.3171(7) 0.6515(14) 0.049(5) Uani 1 1 d .
C28 C 0.5491(18) 0.3610(9) 0.4752(18) 0.091(8) Uani 1 1 d .
H28A H 0.5654 0.3630 0.4130 0.137 Uiso 1 1 calc R
H28B H 0.5625 0.3996 0.5067 0.137 Uiso 1 1 calc R
H28C H 0.4633 0.3488 0.4615 0.137 Uiso 1 1 calc R
C29 C 0.6695(19) 0.2502(10) 0.4090(14) 0.092(8) Uani 1 1 d .
H29A H 0.7275 0.2193 0.4074 0.138 Uiso 1 1 calc R
H29B H 0.6852 0.2852 0.3760 0.138 Uiso 1 1 calc R
H29C H 0.5845 0.2368 0.3748 0.138 Uiso 1 1 calc R
C30 C 0.824(2) 0.1762(8) 0.6101(19) 0.094(8) Uani 1 1 d .
H30A H 0.8507 0.1711 0.5534 0.141 Uiso 1 1 calc R
H30B H 0.7672 0.1445 0.6113 0.141 Uiso 1 1 calc R
H30C H 0.8959 0.1755 0.6714 0.141 Uiso 1 1 calc R
C31 C 0.792(2) 0.2462(10) 0.7942(16) 0.109(9) Uani 1 1 d .
H31A H 0.8073 0.2798 0.8391 0.163 Uiso 1 1 calc R
H31B H 0.8700 0.2248 0.8068 0.163 Uiso 1 1 calc R
H31C H 0.7310 0.2203 0.8054 0.163 Uiso 1 1 calc R
C32 C 0.6220(19) 0.3580(9) 0.7141(18) 0.099(9) Uani 1 1 d .
H32A H 0.5453 0.3420 0.7186 0.149 Uiso 1 1 calc R
H32B H 0.6056 0.3968 0.6831 0.149 Uiso 1 1 calc R
H32C H 0.6842 0.3614 0.7807 0.149 Uiso 1 1 calc R
O5 O 0.008(3) 0.0148(17) 0.8018(18) 0.155(8) Uani 1 1 d D
O6 O 0.954(2) 0.2013(10) 0.3583(19) 0.161(9) Uani 1 1 d D
O7 O 0.938(2) 0.0774(9) 0.3249(18) 0.173(9) Uani 1 1 d .
C33 C 0.750(4) 0.0740(18) 0.068(4) 0.25(2) Uani 1 1 d .
O8 O 0.8286(19) 0.0366(9) 0.0162(14) 0.147(7) Uani 1 1 d .
H6A H 0.963(12) 0.1649(14) 0.355(9) 0.04(5) Uiso 1 1 d D
H5A H 0.06(2) 0.043(8) 0.826(15) 0.12(14) Uiso 1 1 d D
H5B H -0.01(2) 0.001(9) 0.850(11) 0.12(12) Uiso 1 1 d D
H6B H 1.008(10) 0.211(4) 0.412(6) 0.02(5) Uiso 1 1 d D
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 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'
Ir Ir -1.4442 7.9887 '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
C1 Ir1 C13 114.1(6) . .
C1 Ir1 N1 85.3(5) . .
C13 Ir1 N1 106.6(6) . .
C1 Ir1 O1 78.7(5) . .
C13 Ir1 O1 163.3(6) . .
N1 Ir1 O1 84.5(4) . .
C1 Ir1 C14 101.5(6) . .
C13 Ir1 C14 37.9(6) . .
N1 Ir1 C14 143.5(7) . .
O1 Ir1 C14 131.9(6) . .
C1 Ir1 C15 120.6(6) . .
C13 Ir1 C15 64.5(7) . .
N1 Ir1 C15 154.1(6) . .
O1 Ir1 C15 100.0(6) . .
C14 Ir1 C15 38.3(6) . .
C1 Ir1 C16 157.9(6) . .
C13 Ir1 C16 63.9(6) . .
N1 Ir1 C16 116.7(5) . .
O1 Ir1 C16 100.1(5) . .
C14 Ir1 C16 62.6(6) . .
C15 Ir1 C16 37.4(6) . .
C1 Ir1 C17 151.1(6) . .
C13 Ir1 C17 38.4(6) . .
N1 Ir1 C17 94.6(6) . .
O1 Ir1 C17 130.2(5) . .
C14 Ir1 C17 62.5(6) . .
C15 Ir1 C17 62.8(6) . .
C16 Ir1 C17 37.3(6) . .
C4 Ir2 O3 80.0(5) 3_766 3_766
C4 Ir2 N2 86.1(5) 3_766 .
O3 Ir2 N2 84.3(5) 3_766 .
C4 Ir2 C27 98.0(6) 3_766 .
O3 Ir2 C27 139.3(6) 3_766 .
N2 Ir2 C27 136.4(7) . .
C4 Ir2 C23 115.7(7) 3_766 .
O3 Ir2 C23 163.9(5) 3_766 .
N2 Ir2 C23 99.8(6) . .
C27 Ir2 C23 39.6(6) . .
C4 Ir2 C26 114.8(6) 3_766 .
O3 Ir2 C26 106.2(6) 3_766 .
N2 Ir2 C26 157.7(6) . .
C27 Ir2 C26 37.8(6) . .
C23 Ir2 C26 64.9(7) . .
C4 Ir2 C25 154.0(6) 3_766 .
O3 Ir2 C25 100.9(5) 3_766 .
N2 Ir2 C25 119.9(6) . .
C27 Ir2 C25 64.2(6) . .
C23 Ir2 C25 63.4(6) . .
C26 Ir2 C25 39.7(6) . .
C4 Ir2 C24 153.6(7) 3_766 .
O3 Ir2 C24 126.4(6) 3_766 .
N2 Ir2 C24 95.2(6) . .
C27 Ir2 C24 63.3(6) . .
C23 Ir2 C24 38.1(6) . .
C26 Ir2 C24 62.7(6) . .
C25 Ir2 C24 35.3(6) . .
C12 N1 C9 119.6(14) . .
C12 N1 Ir1 122.0(11) . .
C9 N1 Ir1 118.1(10) . .
C11 N2 C10 119.8(14) . .
C11 N2 Ir2 122.0(10) . .
C10 N2 Ir2 117.8(11) . .
C7 O1 Ir1 116.7(10) . .
C8 O3 Ir2 116.6(10) . 3_766
C2 C1 C6 115.6(16) . .
C2 C1 Ir1 129.2(12) . .
C6 C1 Ir1 115.0(11) . .
C1 C2 C3 121.2(16) . .
C2 C3 C4 121.4(14) . .
C2 C3 C8 122.5(16) . .
C4 C3 C8 115.9(15) . .
C5 C4 C3 114.9(14) . .
C5 C4 Ir2 132.3(13) . 3_766
C3 C4 Ir2 112.7(11) . 3_766
C4 C5 C6 122.7(15) . .
C5 C6 C1 124.2(14) . .
C5 C6 C7 119.8(15) . .
C1 C6 C7 115.9(14) . .
O2 C7 O1 123.0(16) . .
O2 C7 C6 123.2(15) . .
O1 C7 C6 113.8(15) . .
O4 C8 O3 121.5(15) . .
O4 C8 C3 124.0(17) . .
O3 C8 C3 114.5(16) . .
N1 C9 C10 119.4(15) . .
N2 C10 C9 119.7(14) . .
N2 C11 C12 120.5(15) . .
N1 C12 C11 120.8(15) . .
C14 C13 C17 107.9(15) . .
C14 C13 C18 128.6(17) . .
C17 C13 C18 121.9(16) . .
C14 C13 Ir1 73.0(11) . .
C17 C13 Ir1 75.5(11) . .
C18 C13 Ir1 129.2(14) . .
C13 C14 C15 109.0(15) . .
C13 C14 C19 126.3(18) . .
C15 C14 C19 124.7(18) . .
C13 C14 Ir1 69.1(12) . .
C15 C14 Ir1 71.2(10) . .
C19 C14 Ir1 126.5(12) . .
C16 C15 C14 107.4(15) . .
C16 C15 C20 124.6(17) . .
C14 C15 C20 128.0(17) . .
C16 C15 Ir1 73.4(10) . .
C14 C15 Ir1 70.5(10) . .
C20 C15 Ir1 122.3(12) . .
C15 C16 C17 108.2(14) . .
C15 C16 C21 126.5(16) . .
C17 C16 C21 125.3(16) . .
C15 C16 Ir1 69.2(9) . .
C17 C16 Ir1 71.6(9) . .
C21 C16 Ir1 123.9(12) . .
C16 C17 C13 107.1(15) . .
C16 C17 C22 126.8(16) . .
C13 C17 C22 126.0(17) . .
C16 C17 Ir1 71.1(9) . .
C13 C17 Ir1 66.2(10) . .
C22 C17 Ir1 123.8(13) . .
C24 C23 C27 105.2(15) . .
C24 C23 C28 129.3(18) . .
C27 C23 C28 125.1(17) . .
C24 C23 Ir2 73.4(10) . .
C27 C23 Ir2 69.9(9) . .
C28 C23 Ir2 126.5(12) . .
C25 C24 C23 111.9(16) . .
C25 C24 C29 127.4(18) . .
C23 C24 C29 120.6(18) . .
C25 C24 Ir2 72.2(11) . .
C23 C24 Ir2 68.5(10) . .
C29 C24 Ir2 123.3(11) . .
C24 C25 C26 107.6(15) . .
C24 C25 C30 129.4(18) . .
C26 C25 C30 122.6(18) . .
C24 C25 Ir2 72.4(11) . .
C26 C25 Ir2 69.4(9) . .
C30 C25 Ir2 128.8(12) . .
C27 C26 C31 127.5(19) . .
C27 C26 C25 106.0(15) . .
C31 C26 C25 126(2) . .
C27 C26 Ir2 69.3(9) . .
C31 C26 Ir2 129.5(14) . .
C25 C26 Ir2 70.9(9) . .
C26 C27 C23 109.2(15) . .
C26 C27 C32 123.8(18) . .
C23 C27 C32 126.6(18) . .
C26 C27 Ir2 72.9(10) . .
C23 C27 Ir2 70.4(9) . .
C32 C27 Ir2 128.7(12) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ir1 C1 2.014(17) .
Ir1 C13 2.10(2) .
Ir1 N1 2.105(12) .
Ir1 O1 2.116(10) .
Ir1 C14 2.147(17) .
Ir1 C15 2.157(18) .
Ir1 C16 2.212(15) .
Ir1 C17 2.218(15) .
Ir2 C4 2.028(15) 3_766
Ir2 O3 2.088(11) 3_766
Ir2 N2 2.121(13) .
Ir2 C27 2.135(16) .
Ir2 C23 2.142(16) .
Ir2 C26 2.182(16) .
Ir2 C25 2.203(16) .
Ir2 C24 2.205(18) .
N1 C12 1.307(18) .
N1 C9 1.314(18) .
N2 C11 1.290(18) .
N2 C10 1.324(18) .
O1 C7 1.286(17) .
O2 C7 1.238(18) .
O3 C8 1.307(19) .
O3 Ir2 2.088(11) 3_766
O4 C8 1.254(18) .
C1 C2 1.358(19) .
C1 C6 1.38(2) .
C2 C3 1.42(2) .
C3 C4 1.44(2) .
C3 C8 1.47(2) .
C4 C5 1.341(19) .
C4 Ir2 2.028(15) 3_766
C5 C6 1.370(19) .
C6 C7 1.50(2) .
C9 C10 1.39(2) .
C11 C12 1.37(2) .
C13 C14 1.38(2) .
C13 C17 1.42(2) .
C13 C18 1.53(2) .
C14 C15 1.41(2) .
C14 C19 1.54(2) .
C15 C16 1.40(2) .
C15 C20 1.50(2) .
C16 C17 1.42(2) .
C16 C21 1.49(2) .
C17 C22 1.49(2) .
C23 C24 1.42(2) .
C23 C27 1.45(2) .
C23 C28 1.46(2) .
C24 C25 1.34(2) .
C24 C29 1.52(2) .
C25 C26 1.49(2) .
C25 C30 1.51(2) .
C26 C27 1.40(2) .
C26 C31 1.46(2) .
C27 C32 1.50(2) .
C33 O8 1.57(3) .
