#------------------------------------------------------------------------------
#$Date: 2016-03-21 07:49:12 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178583 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/94/4069416.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_4069416
loop_
_publ_author_name
'Meredith, Joseph M.'
'Goldberg, Karen I.'
'Kaminsky, Werner'
'Heinekey, D. Michael'
_publ_section_title
;
 Dinuclear Iridium Complexes Containing Cp* and Carbonyl Ligands:
 Synthesis, Structure, and Reactivity
;
_journal_issue                   12
_journal_name_full               Organometallics
_journal_page_first              3546
_journal_paper_doi               10.1021/om900186j
_journal_volume                  28
_journal_year                    2009
_chemical_formula_moiety         'C22 H32 Ir2 O2, 2(C24 B F20)'
_chemical_formula_sum            'C70 H32 B2 F40 Ir2 O2'
_chemical_formula_weight         2070.98
_chemical_name_common            JMM1052
_chemical_name_systematic        JMM1052
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                84.3822(10)
_cell_angle_beta                 65.2489(11)
_cell_angle_gamma                87.8949(8)
_cell_formula_units_Z            1
_cell_length_a                   11.2595(2)
_cell_length_b                   12.5616(3)
_cell_length_c                   13.0354(2)
_cell_measurement_reflns_used    925
_cell_measurement_temperature    130(2)
_cell_measurement_theta_max      20
_cell_measurement_theta_min      3
_cell_volume                     1666.26(6)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_collection       KappaCCD
_computing_data_reduction        'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_molecular_graphics    'maXus, Zortep'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    SIR97
_diffrn_ambient_temperature      130(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.884
_diffrn_measurement_device_type  'Nonius KappaCCD'
_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  0.0689
_diffrn_reflns_av_sigmaI/netI    0.0808
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            15395
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         31.98
_diffrn_reflns_theta_min         2.26
_exptl_absorpt_coefficient_mu    4.151
_exptl_absorpt_correction_T_max  0.605
_exptl_absorpt_correction_T_min  0.317
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   HKL2000
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    2.064
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             992
_exptl_crystal_size_max          0.29
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.12
_refine_diff_density_max         2.430
_refine_diff_density_min         -3.589
_refine_diff_density_rms         0.204
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.096
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     529
_refine_ls_number_reflns         10236
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.096
_refine_ls_R_factor_all          0.0569
_refine_ls_R_factor_gt           0.0464
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0584P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1129
_refine_ls_wR_factor_ref         0.1167
_reflns_number_gt                8630
_reflns_number_total             10236
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om900186j_si_002.cif
_cod_data_source_block           shelxl_9
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      'P -1          '
_cod_database_code               4069416
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Ir1 Ir 1.029489(15) 0.097581(12) 0.018964(12) 0.01858(6) Uani 1 1 d .
H1A H 1.0635 -0.0546 0.0627 0.054(19) Uiso 1 1 d R
F1 F 0.1471(2) 0.4851(2) 0.4306(2) 0.0223(5) Uani 1 1 d .
F2 F 0.2527(3) 0.3117(2) 0.3205(2) 0.0281(6) Uani 1 1 d .
F3 F 0.4769(3) 0.3303(2) 0.1249(2) 0.0291(6) Uani 1 1 d .
F4 F 0.5957(3) 0.5233(2) 0.0468(2) 0.0236(5) Uani 1 1 d .
F5 F 0.4953(3) 0.6959(2) 0.1510(2) 0.0235(5) Uani 1 1 d .
F6 F 0.0674(3) 0.5933(2) 0.2751(2) 0.0234(5) Uani 1 1 d .
F7 F -0.1720(3) 0.6520(2) 0.3072(2) 0.0302(6) Uani 1 1 d .
F8 F -0.2936(3) 0.8134(2) 0.4380(2) 0.0321(6) Uani 1 1 d .
F9 F -0.1657(3) 0.9150(2) 0.5385(2) 0.0265(6) Uani 1 1 d .
F10 F 0.0760(3) 0.8582(2) 0.5081(2) 0.0232(5) Uani 1 1 d .
F11 F 0.0300(2) 0.6452(2) 0.6150(2) 0.0233(5) Uani 1 1 d .
F12 F 0.0773(3) 0.5726(2) 0.7908(2) 0.0273(6) Uani 1 1 d .
F13 F 0.3243(3) 0.5509(3) 0.7728(2) 0.0407(8) Uani 1 1 d .
F14 F 0.5309(3) 0.6015(3) 0.5677(2) 0.0384(8) Uani 1 1 d .
F15 F 0.4865(3) 0.6737(2) 0.3875(2) 0.0283(6) Uani 1 1 d .
F16 F 0.3686(3) 0.8720(2) 0.4495(2) 0.0261(6) Uani 1 1 d .
F17 F 0.4597(3) 1.0589(2) 0.3384(2) 0.0306(6) Uani 1 1 d .
F18 F 0.4479(3) 1.1176(2) 0.1353(2) 0.0295(6) Uani 1 1 d .
F19 F 0.3434(3) 0.9816(2) 0.0463(2) 0.0276(6) Uani 1 1 d .
F20 F 0.2565(3) 0.7886(2) 0.1537(2) 0.0250(5) Uani 1 1 d .
O1 O 1.2965(4) 0.1162(3) -0.1765(3) 0.0432(10) Uani 1 1 d .
C1 C 1.1966(5) 0.1041(4) -0.1047(4) 0.0286(10) Uani 1 1 d .
C2 C 1.0624(4) 0.2586(4) 0.0682(3) 0.0248(10) Uani 1 1 d .
C3 C 0.9478(4) 0.2589(3) 0.0430(3) 0.0210(8) Uani 1 1 d .
C4 C 0.8490(4) 0.1864(3) 0.1245(3) 0.0197(8) Uani 1 1 d .
C5 C 0.9013(4) 0.1339(3) 0.1974(3) 0.0199(8) Uani 1 1 d .
C6 C 1.0334(4) 0.1720(3) 0.1624(3) 0.0179(8) Uani 1 1 d .
C7 C 1.1804(5) 0.3237(4) 0.0149(5) 0.0360(11) Uani 1 1 d .
H7A H 1.1704 0.3862 0.0573 0.043 Uiso 1 1 calc R
H7B H 1.1951 0.3475 -0.0634 0.043 Uiso 1 1 calc R
H7C H 1.2552 0.2813 0.0149 0.043 Uiso 1 1 calc R
C8 C 0.9255(6) 0.3388(4) -0.0391(4) 0.0322(11) Uani 1 1 d .
H8A H 0.8776 0.3999 0.0004 0.039 Uiso 1 1 calc R
H8B H 0.8744 0.3059 -0.0728 0.039 Uiso 1 1 calc R
H8C H 1.0099 0.3633 -0.0990 0.039 Uiso 1 1 calc R
C9 C 0.7137(4) 0.1756(4) 0.1336(4) 0.0277(10) Uani 1 1 d .
H9A H 0.6597 0.2339 0.1742 0.033 Uiso 1 1 calc R
H9B H 0.6765 0.1068 0.1752 0.033 Uiso 1 1 calc R
H9C H 0.7158 0.1789 0.0574 0.033 Uiso 1 1 calc R
C10 C 0.8315(5) 0.0563(4) 0.2996(4) 0.0284(10) Uani 1 1 d .
H10A H 0.8054 0.0930 0.3687 0.034 Uiso 1 1 calc R
H10B H 0.8901 -0.0030 0.3010 0.034 Uiso 1 1 calc R
H10C H 0.7536 0.0282 0.2956 0.034 Uiso 1 1 calc R
C11 C 1.1191(5) 0.1449(4) 0.2221(4) 0.0318(11) Uani 1 1 d .
H11A H 1.0933 0.1871 0.2874 0.038 Uiso 1 1 calc R
H11B H 1.2102 0.1610 0.1700 0.038 Uiso 1 1 calc R
H11C H 1.1102 0.0685 0.2484 0.038 Uiso 1 1 calc R
C12 C 0.3102(4) 0.6005(3) 0.2940(3) 0.0169(7) Uani 1 1 d .
C13 C 0.2580(4) 0.4988(3) 0.3327(3) 0.0184(8) Uani 1 1 d .
C14 C 0.3089(4) 0.4083(3) 0.2785(4) 0.0196(8) Uani 1 1 d .
C15 C 0.4227(4) 0.4170(3) 0.1808(4) 0.0203(8) Uani 1 1 d .
C16 C 0.4825(4) 0.5160(3) 0.1398(3) 0.0185(8) Uani 1 1 d .
C17 C 0.4255(4) 0.6039(3) 0.1969(3) 0.0190(8) Uani 1 1 d .
C18 C 0.0863(4) 0.7218(3) 0.3912(3) 0.0177(8) Uani 1 1 d .
C19 C 0.0156(4) 0.6731(3) 0.3425(3) 0.0192(8) Uani 1 1 d .
C20 C -0.1096(5) 0.7025(4) 0.3569(4) 0.0228(8) Uani 1 1 d .
C21 C -0.1722(5) 0.7847(4) 0.4230(4) 0.0244(9) Uani 1 1 d .
C22 C -0.1063(4) 0.8357(3) 0.4724(3) 0.0209(8) Uani 1 1 d .
C23 C 0.0181(4) 0.8042(3) 0.4558(3) 0.0187(8) Uani 1 1 d .
C24 C 0.2573(4) 0.6663(3) 0.4905(3) 0.0188(8) Uani 1 1 d .
C25 C 0.1571(4) 0.6384(3) 0.5969(3) 0.0177(7) Uani 1 1 d .
C26 C 0.1796(4) 0.6007(3) 0.6904(3) 0.0206(8) Uani 1 1 d .
C27 C 0.3041(5) 0.5877(4) 0.6815(4) 0.0255(9) Uani 1 1 d .
C28 C 0.4072(5) 0.6143(4) 0.5782(4) 0.0263(9) Uani 1 1 d .
C29 C 0.3810(4) 0.6511(4) 0.4863(4) 0.0219(8) Uani 1 1 d .
C30 C 0.3089(4) 0.8173(3) 0.3071(3) 0.0189(8) Uani 1 1 d .
C31 C 0.3628(4) 0.8923(3) 0.3477(3) 0.0205(8) Uani 1 1 d .
C32 C 0.4106(4) 0.9917(3) 0.2924(4) 0.0232(9) Uani 1 1 d .
C33 C 0.4058(4) 1.0213(3) 0.1898(4) 0.0231(9) Uani 1 1 d .
C34 C 0.3525(5) 0.9513(3) 0.1453(4) 0.0219(8) Uani 1 1 d .
C35 C 0.3062(4) 0.8522(3) 0.2029(3) 0.0197(8) Uani 1 1 d .
B1 B 0.2400(5) 0.7013(4) 0.3714(4) 0.0173(8) 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 0.0033 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'
B B 0.0013 0.0007 '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'
F F 0.0171 0.0103 '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 C6 110.89(18) . .
C1 Ir1 C3 109.46(18) . .
C6 Ir1 C3 64.06(15) . .
C1 Ir1 C5 148.93(18) . .
C6 Ir1 C5 38.04(15) . .
C3 Ir1 C5 62.82(15) . .
C1 Ir1 C4 147.34(18) . .
C6 Ir1 C4 63.15(15) . .
C3 Ir1 C4 37.98(16) . .
C5 Ir1 C4 36.67(15) . .
C1 Ir1 C2 91.19(18) . .
C6 Ir1 C2 39.07(15) . .
C3 Ir1 C2 38.14(15) . .
C5 Ir1 C2 63.92(15) . .
C4 Ir1 C2 63.70(15) . .
C1 Ir1 Ir1 94.29(14) . 2_755
C6 Ir1 Ir1 136.49(11) . 2_755
C3 Ir1 Ir1 140.10(12) . 2_755
C5 Ir1 Ir1 110.38(11) . 2_755
C4 Ir1 Ir1 111.75(11) . 2_755
C2 Ir1 Ir1 174.29(11) . 2_755
C1 Ir1 H1A 89.8 . .
C6 Ir1 H1A 98.9 . .
C3 Ir1 H1A 157.5 . .
C5 Ir1 H1A 94.7 . .
C4 Ir1 H1A 122.5 . .
C2 Ir1 H1A 134.0 . .
Ir1 Ir1 H1A 44.5 2_755 .
O1 C1 Ir1 174.5(4) . .
C7 C2 C3 129.8(4) . .
C7 C2 C6 126.5(4) . .
C3 C2 C6 103.8(4) . .
C7 C2 Ir1 126.8(3) . .
C3 C2 Ir1 68.0(3) . .
C6 C2 Ir1 67.5(2) . .
C4 C3 C2 110.4(4) . .
C4 C3 C8 124.5(4) . .
C2 C3 C8 123.9(4) . .
C4 C3 Ir1 73.2(2) . .
C2 C3 Ir1 73.9(3) . .
C8 C3 Ir1 129.6(3) . .
C5 C4 C3 107.9(4) . .
C5 C4 C9 126.7(4) . .
C3 C4 C9 125.3(4) . .
C5 C4 Ir1 71.6(2) . .
C3 C4 Ir1 68.8(2) . .
C9 C4 Ir1 128.2(3) . .
C4 C5 C6 108.7(4) . .
C4 C5 C10 127.0(4) . .
C6 C5 C10 124.2(4) . .
C4 C5 Ir1 71.8(2) . .
C6 C5 Ir1 68.8(2) . .
C10 C5 Ir1 128.2(3) . .
C5 C6 C11 126.2(4) . .
C5 C6 C2 108.9(3) . .
C11 C6 C2 124.1(4) . .
C5 C6 Ir1 73.2(2) . .
C11 C6 Ir1 127.8(3) . .
C2 C6 Ir1 73.4(2) . .
C2 C7 H7A 109.5 . .
C2 C7 H7B 109.5 . .
H7A C7 H7B 109.5 . .
C2 C7 H7C 109.5 . .
H7A C7 H7C 109.5 . .
H7B C7 H7C 109.5 . .
C3 C8 H8A 109.5 . .
C3 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
C3 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
C4 C9 H9A 109.5 . .
C4 C9 H9B 109.5 . .
H9A C9 H9B 109.5 . .
C4 C9 H9C 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
C5 C10 H10A 109.5 . .
C5 C10 H10B 109.5 . .
H10A C10 H10B 109.5 . .
C5 C10 H10C 109.5 . .
H10A C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
C6 C11 H11A 109.5 . .
C6 C11 H11B 109.5 . .
H11A C11 H11B 109.5 . .
C6 C11 H11C 109.5 . .
H11A C11 H11C 109.5 . .
H11B C11 H11C 109.5 . .
C17 C12 C13 113.8(4) . .
C17 C12 B1 126.9(4) . .
C13 C12 B1 119.0(4) . .
F1 C13 C14 116.3(4) . .
F1 C13 C12 119.0(4) . .
C14 C13 C12 124.8(4) . .
F2 C14 C13 121.7(4) . .
F2 C14 C15 119.5(4) . .
C13 C14 C15 118.7(4) . .
F3 C15 C14 120.9(4) . .
F3 C15 C16 119.7(4) . .
C14 C15 C16 119.4(4) . .
F4 C16 C17 121.7(4) . .
F4 C16 C15 119.1(4) . .
C17 C16 C15 119.1(4) . .
F5 C17 C16 113.8(4) . .
F5 C17 C12 122.0(4) . .
C16 C17 C12 124.1(4) . .
C23 C18 C19 113.1(4) . .
C23 C18 B1 118.4(4) . .
C19 C18 B1 128.3(3) . .
F6 C19 C20 114.8(4) . .
F6 C19 C18 121.3(4) . .
C20 C19 C18 123.9(4) . .
F7 C20 C21 119.3(4) . .
F7 C20 C19 120.7(4) . .
C21 C20 C19 120.0(4) . .
F8 C21 C22 121.1(4) . .
F8 C21 C20 120.5(4) . .
C22 C21 C20 118.3(4) . .
F9 C22 C21 119.5(4) . .
F9 C22 C23 120.7(4) . .
C21 C22 C23 119.8(4) . .
F10 C23 C22 116.2(4) . .
F10 C23 C18 119.0(4) . .
C22 C23 C18 124.9(4) . .
C29 C24 C25 113.9(4) . .
C29 C24 B1 119.4(4) . .
C25 C24 B1 126.3(4) . .
F11 C25 C26 115.3(4) . .
F11 C25 C24 121.6(3) . .
C26 C25 C24 123.1(4) . .
F12 C26 C27 119.6(4) . .
F12 C26 C25 119.9(4) . .
C27 C26 C25 120.4(4) . .
F13 C27 C26 119.7(4) . .
F13 C27 C28 121.3(4) . .
C26 C27 C28 119.0(4) . .
F14 C28 C27 119.8(4) . .
F14 C28 C29 121.2(4) . .
C27 C28 C29 119.0(4) . .
F15 C29 C24 119.7(4) . .
F15 C29 C28 115.8(4) . .
C24 C29 C28 124.5(4) . .
C31 C30 C35 113.3(4) . .
C31 C30 B1 128.0(4) . .
C35 C30 B1 118.5(4) . .
F16 C31 C32 114.7(4) . .
F16 C31 C30 120.5(4) . .
C32 C31 C30 124.8(4) . .
F17 C32 C33 120.2(4) . .
F17 C32 C31 120.6(4) . .
C33 C32 C31 119.2(4) . .
F18 C33 C32 120.9(4) . .
F18 C33 C34 120.1(4) . .
C32 C33 C34 119.0(4) . .
F19 C34 C33 119.1(4) . .
F19 C34 C35 120.8(4) . .
C33 C34 C35 120.1(4) . .
F20 C35 C34 116.5(4) . .
F20 C35 C30 120.0(4) . .
C34 C35 C30 123.6(4) . .
C30 B1 C18 101.9(3) . .
C30 B1 C12 111.9(3) . .
C18 B1 C12 113.8(3) . .
C30 B1 C24 113.7(3) . .
C18 B1 C24 113.5(3) . .
C12 B1 C24 102.5(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ir1 C1 1.895(5) .
Ir1 C6 2.188(4) .
Ir1 C3 2.190(4) .
Ir1 C5 2.247(4) .
Ir1 C4 2.249(4) .
Ir1 C2 2.269(5) .
Ir1 Ir1 2.7069(3) 2_755
Ir1 H1A 2.0111 .
F1 C13 1.362(5) .
F2 C14 1.345(5) .
F3 C15 1.351(5) .
F4 C16 1.339(5) .
F5 C17 1.359(5) .
F6 C19 1.348(4) .
F7 C20 1.345(5) .
F8 C21 1.338(5) .
F9 C22 1.348(5) .
F10 C23 1.358(5) .
F11 C25 1.351(5) .
F12 C26 1.356(5) .
F13 C27 1.339(5) .
F14 C28 1.347(5) .
F15 C29 1.350(5) .
F16 C31 1.355(5) .
F17 C32 1.337(5) .
F18 C33 1.336(5) .
F19 C34 1.353(5) .
F20 C35 1.342(5) .
O1 C1 1.125(6) .
C2 C7 1.454(7) .
C2 C3 1.459(6) .
C2 C6 1.492(6) .
C3 C4 1.446(6) .
C3 C8 1.488(6) .
C4 C5 1.414(6) .
C4 C9 1.488(6) .
C5 C6 1.446(6) .
C5 C10 1.506(6) .
C6 C11 1.485(6) .
C7 H7A 0.9800 .
C7 H7B 0.9800 .
C7 H7C 0.9800 .
C8 H8A 0.9800 .
C8 H8B 0.9800 .
C8 H8C 0.9800 .
C9 H9A 0.9800 .
C9 H9B 0.9800 .
C9 H9C 0.9800 .
C10 H10A 0.9800 .
C10 H10B 0.9800 .
C10 H10C 0.9800 .
C11 H11A 0.9800 .
C11 H11B 0.9800 .
C11 H11C 0.9800 .
C12 C17 1.380(6) .
C12 C13 1.384(6) .
C12 B1 1.660(6) .
C13 C14 1.374(6) .
C14 C15 1.375(6) .
C15 C16 1.384(6) .
C16 C17 1.377(6) .
C18 C23 1.393(6) .
C18 C19 1.395(6) .
C18 B1 1.653(6) .
C19 C20 1.383(6) .
C20 C21 1.385(6) .
C21 C22 1.375(6) .
C22 C23 1.374(6) .
C24 C29 1.378(6) .
C24 C25 1.394(6) .
C24 B1 1.660(6) .
C25 C26 1.382(6) .
C26 C27 1.362(6) .
C27 C28 1.380(7) .
C28 C29 1.383(6) .
C30 C31 1.394(6) .
C30 C35 1.398(6) .
C30 B1 1.652(6) .
C31 C32 1.385(6) .
C32 C33 1.375(6) .
C33 C34 1.379(6) .
C34 C35 1.386(6) .
