#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/26/7022626.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_7022626
loop_
_publ_author_name
'Zhang, Fushi'
'Wang, Liduo'
'Chang, Shih-Han'
'Huang, Kuan-Lin'
'Chi, Yun'
'Hung, Wen-Yi'
'Chen, Chih-Ming'
'Lee, Gene-Hsiang'
'Chou, Pi-Tai'
_publ_section_title
;
 Phosphorescent Ir(III) complexes with both cyclometalate chromophores and
 phosphine-silanolate ancillary: concurrent conversion of organosilane to
 silanolate.
;
_journal_issue                   19
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              7111
_journal_page_last               7119
_journal_paper_doi               10.1039/c3dt32408g
_journal_volume                  42
_journal_year                    2013
_chemical_formula_sum            'C52.5 H37 Cl F4 Ir N2 O P Si'
_chemical_formula_weight         1074.55
_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                 107.351(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.2505(10)
_cell_length_b                   14.8900(11)
_cell_length_c                   21.0030(16)
_cell_measurement_reflns_used    5112
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.24
_cell_measurement_theta_min      2.45
_cell_volume                     4253.8(5)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker SMART'
_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      150(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'BRUKER SMART APEXCCD area detector'
_diffrn_measurement_method       '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  0.0410
_diffrn_reflns_av_sigmaI/netI    0.0388
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            32447
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         2.03
_exptl_absorpt_coefficient_mu    3.329
_exptl_absorpt_correction_T_max  0.5557
_exptl_absorpt_correction_T_min  0.4155
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.678
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2132
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.176
_refine_diff_density_min         -1.338
_refine_diff_density_rms         0.105
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.065
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     577
_refine_ls_number_reflns         9764
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.065
_refine_ls_R_factor_all          0.0359
_refine_ls_R_factor_gt           0.0301
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0229P)²+4.2733P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0625
_refine_ls_wR_factor_ref         0.0647
_reflns_number_gt                8716
_reflns_number_total             9764
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3dt32408g.txt
_cod_data_source_block           ic14937
_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 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not_measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_original_formula_sum        'C52.50 H37 Cl F4 Ir N2 O P Si'
_cod_database_code               7022626
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
Ir Ir 0.499089(8) 0.935120(8) 0.279479(5) 0.01359(4) Uani 1 1 d .
P1 P 0.45732(6) 1.03457(5) 0.18498(4) 0.01500(16) Uani 1 1 d .
Si1 Si 0.71046(6) 1.01899(6) 0.26967(4) 0.01644(18) Uani 1 1 d .
N1 N 0.53109(19) 1.02973(17) 0.35431(12) 0.0162(5) Uani 1 1 d .
N2 N 0.45914(19) 0.82889(16) 0.21580(12) 0.0157(5) Uani 1 1 d .
O1 O 0.64048(16) 0.93448(14) 0.26494(11) 0.0186(5) Uani 1 1 d .
C1 C 0.5608(2) 0.8547(2) 0.35955(15) 0.0170(6) Uani 1 1 d .
C2 C 0.5794(2) 0.7634(2) 0.35798(16) 0.0216(7) Uani 1 1 d .
H2 H 0.5566 0.7307 0.3174 0.026 Uiso 1 1 calc R
C3 C 0.6314(3) 0.7207(2) 0.41592(17) 0.0257(8) Uani 1 1 d .
C4 C 0.6640(3) 0.7633(2) 0.47652(17) 0.0279(8) Uani 1 1 d .
H4 H 0.6981 0.7319 0.5160 0.033 Uiso 1 1 calc R
C5 C 0.6447(2) 0.8539(2) 0.47708(16) 0.0238(7) Uani 1 1 d .
C6 C 0.5944(2) 0.9017(2) 0.42012(15) 0.0183(6) Uani 1 1 d .
C7 C 0.5739(2) 0.9984(2) 0.41740(15) 0.0180(6) Uani 1 1 d .
C8 C 0.5900(3) 1.0562(2) 0.47215(17) 0.0255(7) Uani 1 1 d .
H8 H 0.6208 1.0342 0.5159 0.031 Uiso 1 1 calc R
C9 C 0.5617(3) 1.1448(2) 0.46305(17) 0.0259(8) Uani 1 1 d .
H9 H 0.5720 1.1840 0.5002 0.031 Uiso 1 1 calc R
C10 C 0.5180(2) 1.1759(2) 0.39913(17) 0.0235(7) Uani 1 1 d .
H10 H 0.4974 1.2367 0.3917 0.028 Uiso 1 1 calc R
C11 C 0.5048(2) 1.1175(2) 0.34631(16) 0.0196(7) Uani 1 1 d .
H11 H 0.4761 1.1396 0.3024 0.023 Uiso 1 1 calc R
C12 C 0.3658(2) 0.9114(2) 0.28834(14) 0.0160(6) Uani 1 1 d .
C13 C 0.3211(2) 0.9510(2) 0.33305(16) 0.0200(7) Uani 1 1 d .
H13 H 0.3549 0.9961 0.3633 0.024 Uiso 1 1 calc R
C14 C 0.2292(3) 0.9245(2) 0.33282(17) 0.0238(7) Uani 1 1 d .
C15 C 0.1748(2) 0.8608(2) 0.29023(18) 0.0259(8) Uani 1 1 d .
H15 H 0.1106 0.8445 0.2907 0.031 Uiso 1 1 calc R
C16 C 0.2184(3) 0.8222(2) 0.24719(17) 0.0241(7) Uani 1 1 d .
C17 C 0.3125(2) 0.8429(2) 0.24518(15) 0.0184(6) Uani 1 1 d .
C18 C 0.3659(2) 0.7968(2) 0.20535(15) 0.0185(6) Uani 1 1 d .
C19 C 0.3339(3) 0.7242(2) 0.16204(16) 0.0246(7) Uani 1 1 d .
H19 H 0.2692 0.7015 0.1543 0.029 Uiso 1 1 calc R
C20 C 0.3958(3) 0.6854(2) 0.13056(17) 0.0270(8) Uani 1 1 d .
H20 H 0.3738 0.6362 0.1011 0.032 Uiso 1 1 calc R
C21 C 0.4904(3) 0.7185(2) 0.14208(16) 0.0227(7) Uani 1 1 d .
H21 H 0.5339 0.6927 0.1207 0.027 Uiso 1 1 calc R
C22 C 0.5199(2) 0.7902(2) 0.18555(15) 0.0197(7) Uani 1 1 d .
H22 H 0.5849 0.8128 0.1943 0.024 Uiso 1 1 calc R
C23 C 0.5430(2) 1.1295(2) 0.19073(15) 0.0178(6) Uani 1 1 d .
C24 C 0.6451(2) 1.1185(2) 0.21939(15) 0.0180(6) Uani 1 1 d .
C25 C 0.7060(2) 1.1899(2) 0.21329(16) 0.0224(7) Uani 1 1 d .
H25 H 0.7753 1.1822 0.2299 0.027 Uiso 1 1 calc R
C26 C 0.6699(3) 1.2712(2) 0.18414(17) 0.0258(7) Uani 1 1 d .
H26 H 0.7135 1.3180 0.1809 0.031 Uiso 1 1 calc R
C27 C 0.5692(3) 1.2831(2) 0.15981(17) 0.0256(7) Uani 1 1 d .
H27 H 0.5430 1.3392 0.1413 0.031 Uiso 1 1 calc R
C28 C 0.5067(3) 1.2129(2) 0.16252(16) 0.0210(7) Uani 1 1 d .
H28 H 0.4377 1.2212 0.1449 0.025 Uiso 1 1 calc R
C29 C 0.4673(2) 0.9736(2) 0.11150(15) 0.0180(6) Uani 1 1 d .
C30 C 0.3875(3) 0.9248(2) 0.07170(16) 0.0216(7) Uani 1 1 d .
H30 H 0.3255 0.9282 0.0798 0.026 Uiso 1 1 calc R
C31 C 0.3988(3) 0.8713(2) 0.02028(16) 0.0268(8) Uani 1 1 d .
H31 H 0.3438 0.8394 -0.0073 0.032 Uiso 1 1 calc R
C32 C 0.4889(3) 0.8640(2) 0.00888(17) 0.0268(8) Uani 1 1 d .
H32 H 0.4965 0.8264 -0.0258 0.032 Uiso 1 1 calc R
C33 C 0.5681(3) 0.9120(2) 0.04837(17) 0.0248(7) Uani 1 1 d .
H33 H 0.6305 0.9069 0.0409 0.030 Uiso 1 1 calc R
C34 C 0.5571(2) 0.9674(2) 0.09865(15) 0.0194(7) Uani 1 1 d .
H34 H 0.6115 1.0015 0.1246 0.023 Uiso 1 1 calc R
C35 C 0.3348(2) 1.0855(2) 0.15388(15) 0.0173(6) Uani 1 1 d .
C36 C 0.2772(2) 1.0949(2) 0.19629(16) 0.0206(7) Uani 1 1 d .
H36 H 0.3004 1.0733 0.2408 0.025 Uiso 1 1 calc R
C37 C 0.1855(3) 1.1359(2) 0.17377(18) 0.0261(7) Uani 1 1 d .
H37 H 0.1464 1.1419 0.2031 0.031 Uiso 1 1 calc R
C38 C 0.1507(3) 1.1680(3) 0.10962(18) 0.0305(8) Uani 1 1 d .
H38 H 0.0886 1.1971 0.0950 0.037 Uiso 1 1 calc R
C39 C 0.2071(3) 1.1575(3) 0.06647(18) 0.0330(9) Uani 1 1 d .
H39 H 0.1830 1.1781 0.0217 0.040 Uiso 1 1 calc R
C40 C 0.2983(3) 1.1169(2) 0.08865(17) 0.0269(8) Uani 1 1 d .
H40 H 0.3368 1.1104 0.0590 0.032 Uiso 1 1 calc R
C41 C 0.7674(2) 1.0630(2) 0.35717(16) 0.0208(7) Uani 1 1 d .
C42 C 0.7595(3) 1.1524(2) 0.37688(18) 0.0265(8) Uani 1 1 d .
H42 H 0.7235 1.1944 0.3448 0.032 Uiso 1 1 calc R
C43 C 0.8027(3) 1.1805(3) 0.44152(19) 0.0362(9) Uani 1 1 d .
H43 H 0.7964 1.2414 0.4533 0.043 Uiso 1 1 calc R
C44 C 0.8548(3) 1.1213(3) 0.48900(19) 0.0415(10) Uani 1 1 d .
H44 H 0.8847 1.1410 0.5335 0.050 Uiso 1 1 calc R
C45 C 0.8637(3) 1.0330(3) 0.47187(19) 0.0411(10) Uani 1 1 d .
H45 H 0.8994 0.9917 0.5047 0.049 Uiso 1 1 calc R
C46 C 0.8205(3) 1.0043(3) 0.40681(18) 0.0341(9) Uani 1 1 d .
H46 H 0.8271 0.9432 0.3958 0.041 Uiso 1 1 calc R
C47 C 0.8141(2) 0.9866(2) 0.23647(16) 0.0194(7) Uani 1 1 d .
C48 C 0.8017(3) 0.9199(2) 0.18766(18) 0.0276(8) Uani 1 1 d .
H48 H 0.7406 0.8893 0.1725 0.033 Uiso 1 1 calc R
C49 C 0.8766(3) 0.8974(3) 0.1610(2) 0.0405(10) Uani 1 1 d .
H49 H 0.8665 0.8518 0.1280 0.049 Uiso 1 1 calc R
C50 C 0.9655(3) 0.9410(3) 0.1822(2) 0.0428(11) Uani 1 1 d .
H50 H 1.0164 0.9266 0.1632 0.051 Uiso 1 1 calc R
C51 C 0.9806(3) 1.0061(3) 0.2312(2) 0.0402(10) Uani 1 1 d .
H51 H 1.0423 1.0356 0.2466 0.048 Uiso 1 1 calc R
C52 C 0.9061(3) 1.0280(2) 0.25776(19) 0.0286(8) Uani 1 1 d .
H52 H 0.9177 1.0727 0.2915 0.034 Uiso 1 1 calc R
F1 F 0.65198(17) 0.63224(14) 0.41373(11) 0.0377(5) Uani 1 1 d .
F2 F 0.67855(16) 0.89609(15) 0.53716(10) 0.0351(5) Uani 1 1 d .
F3 F 0.18779(16) 0.96432(15) 0.37638(11) 0.0357(5) Uani 1 1 d .
F4 F 0.16400(15) 0.75979(14) 0.20398(11) 0.0348(5) Uani 1 1 d .
C53 C 0.4601(7) 0.4875(7) 0.5240(5) 0.065(3) Uani 0.50 1 d P
H53A H 0.4756 0.4520 0.5640 0.078 Uiso 0.50 1 d PR
H53B H 0.3984 0.5167 0.5196 0.078 Uiso 0.50 1 d PR
Cl1 Cl 0.44461(19) 0.42334(13) 0.46422(11) 0.1120(7) 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'
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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 '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'
Cl Cl 0.1484 0.1585 '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
C12 Ir C1 90.41(12) . .
C12 Ir N2 80.58(12) . .
C1 Ir N2 93.02(11) . .
C12 Ir N1 92.89(11) . .
C1 Ir N1 80.17(11) . .
N2 Ir N1 170.58(10) . .
C12 Ir O1 169.20(11) . .
C1 Ir O1 85.52(10) . .
N2 Ir O1 89.63(9) . .
N1 Ir O1 96.26(9) . .
C12 Ir P1 100.25(8) . .
C1 Ir P1 169.33(9) . .
N2 Ir P1 89.11(7) . .
N1 Ir P1 98.78(7) . .
O1 Ir P1 84.04(6) . .
C29 P1 C35 102.11(14) . .
C29 P1 C23 102.58(14) . .
C35 P1 C23 104.30(14) . .
C29 P1 Ir 109.14(10) . .
C35 P1 Ir 121.55(10) . .
C23 P1 Ir 114.90(10) . .
O1 Si1 C47 108.78(13) . .
O1 Si1 C41 114.48(14) . .
C47 Si1 C41 107.05(15) . .
O1 Si1 C24 112.89(13) . .
C47 Si1 C24 107.74(14) . .
C41 Si1 C24 105.55(14) . .
C11 N1 C7 118.4(3) . .
C11 N1 Ir 125.1(2) . .
C7 N1 Ir 116.1(2) . .
C22 N2 C18 120.4(3) . .
C22 N2 Ir 123.2(2) . .
C18 N2 Ir 116.4(2) . .
Si1 O1 Ir 126.23(12) . .
C2 C1 C6 119.6(3) . .
C2 C1 Ir 126.5(2) . .
C6 C1 Ir 113.6(2) . .
C3 C2 C1 119.2(3) . .
F1 C3 C4 117.6(3) . .
F1 C3 C2 118.9(3) . .
C4 C3 C2 123.4(3) . .
C3 C4 C5 116.5(3) . .
F2 C5 C4 116.3(3) . .
F2 C5 C6 120.6(3) . .
C4 C5 C6 123.1(3) . .
C5 C6 C1 118.1(3) . .
C5 C6 C7 125.5(3) . .
C1 C6 C7 116.3(3) . .
N1 C7 C8 120.3(3) . .
N1 C7 C6 113.5(3) . .
C8 C7 C6 126.1(3) . .
C9 C8 C7 120.4(3) . .
C8 C9 C10 119.0(3) . .
C11 C10 C9 119.0(3) . .
N1 C11 C10 122.9(3) . .
C13 C12 C17 117.5(3) . .
C13 C12 Ir 128.2(2) . .
C17 C12 Ir 114.2(2) . .
C14 C13 C12 119.9(3) . .
F3 C14 C13 118.6(3) . .
F3 C14 C15 117.7(3) . .
C13 C14 C15 123.7(3) . .
C16 C15 C14 116.2(3) . .
C15 C16 F4 116.4(3) . .
C15 C16 C17 124.0(3) . .
F4 C16 C17 119.5(3) . .
C16 C17 C12 118.5(3) . .
C16 C17 C18 125.8(3) . .
C12 C17 C18 115.6(3) . .
N2 C18 C19 119.2(3) . .
N2 C18 C17 113.0(3) . .
C19 C18 C17 127.8(3) . .
C20 C19 C18 120.4(3) . .
C19 C20 C21 119.7(3) . .
C22 C21 C20 118.5(3) . .
N2 C22 C21 121.9(3) . .
C28 C23 C24 119.1(3) . .
C28 C23 P1 119.7(2) . .
C24 C23 P1 121.1(2) . .
C25 C24 C23 117.5(3) . .
C25 C24 Si1 115.4(2) . .
C23 C24 Si1 127.1(2) . .
C26 C25 C24 123.0(3) . .
C27 C26 C25 118.9(3) . .
C26 C27 C28 119.8(3) . .
C27 C28 C23 121.6(3) . .
C34 C29 C30 118.9(3) . .
C34 C29 P1 120.3(2) . .
C30 C29 P1 120.5(2) . .
C31 C30 C29 120.0(3) . .
C32 C31 C30 120.6(3) . .
C31 C32 C33 119.4(3) . .
C32 C33 C34 120.4(3) . .
C33 C34 C29 120.6(3) . .
C36 C35 C40 118.7(3) . .
C36 C35 P1 119.7(2) . .
C40 C35 P1 121.6(3) . .
C35 C36 C37 120.1(3) . .
C38 C37 C36 120.9(3) . .
C37 C38 C39 119.4(3) . .
C40 C39 C38 119.9(3) . .
C39 C40 C35 121.0(3) . .
C46 C41 C42 116.4(3) . .
C46 C41 Si1 119.2(3) . .
C42 C41 Si1 124.3(3) . .
C43 C42 C41 121.7(4) . .
C44 C43 C42 120.4(4) . .
C43 C44 C45 119.7(4) . .
C44 C45 C46 120.1(4) . .
C45 C46 C41 121.6(4) . .
C52 C47 C48 116.7(3) . .
C52 C47 Si1 122.4(3) . .
C48 C47 Si1 120.9(3) . .
C49 C48 C47 121.5(4) . .
C50 C49 C48 120.2(4) . .
C49 C50 C51 119.7(4) . .
C52 C51 C50 120.1(4) . .
C51 C52 C47 121.9(4) . .
Cl1 C53 C53 68.1(8) . 3_666
Cl1 C53 Cl1 118.2(6) . 3_666
C53 C53 Cl1 50.1(6) 3_666 3_666
C53 Cl1 C53 61.8(6) . 3_666
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ir C12 1.995(3) .
Ir C1 2.038(3) .
Ir N2 2.040(2) .
Ir N1 2.058(2) .
Ir O1 2.126(2) .
Ir P1 2.4045(8) .
P1 C29 1.832(3) .
P1 C35 1.836(3) .
P1 C23 1.848(3) .
Si1 O1 1.590(2) .
Si1 C47 1.875(3) .
Si1 C41 1.891(3) .
Si1 C24 1.895(3) .
N1 C11 1.356(4) .
N1 C7 1.365(4) .
N2 C22 1.346(4) .
N2 C18 1.367(4) .
C1 C2 1.388(4) .
C1 C6 1.405(4) .
C2 C3 1.377(4) .
C3 F1 1.353(4) .
C3 C4 1.373(5) .
C4 C5 1.377(5) .
C5 F2 1.363(4) .
C5 C6 1.393(4) .
C6 C7 1.467(4) .
C7 C8 1.399(4) .
C8 C9 1.376(5) .
C9 C10 1.381(5) .
C10 C11 1.378(4) .
C12 C13 1.411(4) .
C12 C17 1.423(4) .
C13 C14 1.367(5) .
C14 F3 1.363(4) .
C14 C15 1.374(5) .
C15 C16 1.367(5) .
C16 F4 1.367(4) .
C16 C17 1.388(5) .
C17 C18 1.460(4) .
C18 C19 1.399(4) .
C19 C20 1.377(5) .
C20 C21 1.387(5) .
C21 C22 1.386(4) .
C23 C28 1.406(4) .
C23 C24 1.409(4) .
C24 C25 1.403(4) .
C25 C26 1.384(5) .
C26 C27 1.384(5) .
C27 C28 1.386(5) .
C29 C34 1.387(4) .
C29 C30 1.398(4) .
C30 C31 1.389(5) .
C31 C32 1.379(5) .
C32 C33 1.384(5) .
C33 C34 1.386(5) .
C35 C36 1.386(4) .
C35 C40 1.393(4) .
C36 C37 1.391(5) .
C37 C38 1.375(5) .
C38 C39 1.388(5) .
C39 C40 1.383(5) .
C41 C46 1.397(5) .
C41 C42 1.409(5) .
C42 C43 1.378(5) .
C43 C44 1.372(6) .
C44 C45 1.379(6) .
C45 C46 1.388(5) .
C47 C52 1.397(5) .
C47 C48 1.400(5) .
C48 C49 1.386(5) .
C49 C50 1.374(6) .
C50 C51 1.383(6) .
C51 C52 1.376(5) .
C53 Cl1 1.540(12) .
C53 C53 1.770(18) 3_666
C53 Cl1 1.863(10) 3_666
Cl1 C53 1.863(10) 3_666
