#------------------------------------------------------------------------------
#$Date: 2016-03-21 18:45:11 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178822 $
#$URL: svn://www.crystallography.net/cod/cif/4/10/76/4107622.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_4107622
loop_
_publ_author_name
'Atsushi Kawachi'
'Atsushi Tani'
'Junpei Shimada'
'Yohsuke Yamamoto'
_publ_section_title
;
 Synthesis of B/Si Bidentate Lewis Acids,
 o-(Fluorosilyl)(dimesitylboryl)benzenes, and Their Fluoride Ion Affinity
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              4222
_journal_page_last               4223
_journal_paper_doi               10.1021/ja710615r
_journal_volume                  130
_journal_year                    2008
_chemical_formula_moiety         'C48 H76 B F2 K N2 O7 Si'
_chemical_formula_sum            'C48 H76 B F2 K N2 O7 Si'
_chemical_formula_weight         909.11
_chemical_melting_point          459(1)
_chemical_name_common            Compound_7b
_chemical_name_systematic
; 
Potassium [2.2.2]Cryptand [(2-(Fluorodimethylsilyl)phenyl]fluorodimesitylborate 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_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                93.0920(10)
_cell_angle_beta                 92.3850(10)
_cell_angle_gamma                103.5530(10)
_cell_formula_units_Z            2
_cell_length_a                   11.7580(3)
_cell_length_b                   13.3780(3)
_cell_length_c                   16.4450(4)
_cell_measurement_temperature    173(2)
_cell_volume                     2507.16(11)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.923
_diffrn_measured_fraction_theta_max 0.923
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.3720
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            10656
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         1.24
_exptl_absorpt_coefficient_mu    0.186
_exptl_absorpt_correction_T_max  0.9462
_exptl_absorpt_correction_T_min  0.9292
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.204
_exptl_crystal_description       prism
_exptl_crystal_F_000             980
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.30
_refine_diff_density_max         0.891
_refine_diff_density_min         -0.654
_refine_diff_density_rms         0.186
_refine_ls_extinction_coef       0.105(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.089
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     578
_refine_ls_number_reflns         10656
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.089
_refine_ls_R_factor_all          0.0731
_refine_ls_R_factor_gt           0.0605
_refine_ls_shift/su_max          0.019
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1116P)²+0.7462P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1663
_refine_ls_wR_factor_ref         0.1781
_reflns_number_gt                9326
_reflns_number_total             10656
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja710615r-file004.cif
_cod_data_source_block           Compound_7b
_cod_original_cell_volume        2507.16(10)
_cod_database_code               4107622
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
_atom_site_disorder_group
B1 B -0.12148(19) 0.33903(16) 0.22417(12) 0.0319(4) Uani 1 1 d . .
Si1 Si -0.23283(5) 0.51116(4) 0.32340(3) 0.03576(15) Uani 1 1 d . .
F1 F -0.25047(12) 0.62879(9) 0.33951(7) 0.0465(3) Uani 1 1 d . .
F2 F -0.21013(10) 0.33082(9) 0.28726(6) 0.0357(2) Uani 1 1 d . .
C1 C -0.19502(16) 0.51112(14) 0.21360(11) 0.0334(4) Uani 1 1 d . .
C2 C -0.14245(16) 0.43678(14) 0.17512(10) 0.0321(4) Uani 1 1 d . .
C3 C -0.11994(17) 0.44647(15) 0.09241(11) 0.0350(4) Uani 1 1 d . .
H3A H -0.0857 0.3971 0.0654 0.042 Uiso 1 1 calc R .
C4 C -0.14544(18) 0.52501(15) 0.04829(11) 0.0381(4) Uani 1 1 d . .
H4A H -0.1277 0.5293 -0.0074 0.046 Uiso 1 1 calc R .
C5 C -0.19686(19) 0.59693(15) 0.08599(12) 0.0410(4) Uani 1 1 d . .
H5A H -0.2153 0.6505 0.0562 0.049 Uiso 1 1 calc R .
C6 C -0.22128(18) 0.59007(15) 0.16781(12) 0.0383(4) Uani 1 1 d . .
H6A H -0.2564 0.6396 0.1935 0.046 Uiso 1 1 calc R .
C7 C -0.11458(19) 0.50947(16) 0.40182(12) 0.0409(4) Uani 1 1 d . .
H7A H -0.0402 0.5517 0.3855 0.061 Uiso 1 1 calc R .
H7B H -0.1075 0.4385 0.4068 0.061 Uiso 1 1 calc R .
H7C H -0.1338 0.5374 0.4544 0.061 Uiso 1 1 calc R .
C8 C -0.3809(2) 0.43509(18) 0.34606(14) 0.0470(5) Uani 1 1 d . .
H8A H -0.3995 0.4559 0.4011 0.071 Uiso 1 1 calc R .
H8B H -0.3818 0.3616 0.3428 0.071 Uiso 1 1 calc R .
H8C H -0.4394 0.4478 0.3062 0.071 Uiso 1 1 calc R .
C9 C 0.00294(17) 0.35020(14) 0.28003(10) 0.0321(4) Uani 1 1 d . .
C10 C 0.00569(17) 0.27251(14) 0.33535(10) 0.0340(4) Uani 1 1 d . .
C11 C 0.10412(19) 0.27890(16) 0.38825(11) 0.0403(4) Uani 1 1 d . .
H11A H 0.1025 0.2264 0.4251 0.048 Uiso 1 1 calc R .
C12 C 0.20313(18) 0.35818(18) 0.38897(11) 0.0420(5) Uani 1 1 d . .
C13 C 0.20220(18) 0.43340(17) 0.33442(12) 0.0402(4) Uani 1 1 d . .
H13A H 0.2698 0.4883 0.3327 0.048 Uiso 1 1 calc R .
C14 C 0.10403(17) 0.43109(15) 0.28140(11) 0.0356(4) Uani 1 1 d . .
C15 C -0.09549(19) 0.18007(15) 0.34046(12) 0.0404(4) Uani 1 1 d . .
H15A H -0.0740 0.1341 0.3797 0.061 Uiso 1 1 calc R .
H15B H -0.1138 0.1431 0.2867 0.061 Uiso 1 1 calc R .
H15C H -0.1642 0.2030 0.3583 0.061 Uiso 1 1 calc R .
C16 C 0.3087(2) 0.3633(2) 0.44600(14) 0.0562(6) Uani 1 1 d . .
H16A H 0.2828 0.3388 0.4988 0.084 Uiso 1 1 calc R .
H16B H 0.3548 0.4347 0.4537 0.084 Uiso 1 1 calc R .
H16C H 0.3571 0.3198 0.4225 0.084 Uiso 1 1 calc R .
C17 C 0.1170(2) 0.52084(17) 0.22726(14) 0.0458(5) Uani 1 1 d . .
H17A H 0.1959 0.5656 0.2364 0.069 Uiso 1 1 calc R .
H17B H 0.0589 0.5603 0.2404 0.069 Uiso 1 1 calc R .
H17C H 0.1045 0.4947 0.1700 0.069 Uiso 1 1 calc R .
C18 C -0.15530(17) 0.23388(14) 0.16089(10) 0.0338(4) Uani 1 1 d . .
C19 C -0.27314(19) 0.17863(15) 0.14429(11) 0.0390(4) Uani 1 1 d . .
C20 C -0.3014(2) 0.08629(17) 0.09533(12) 0.0460(5) Uani 1 1 d . .
H20A H -0.3813 0.0502 0.0869 0.055 Uiso 1 1 calc R .
C21 C -0.2157(2) 0.04591(16) 0.05865(13) 0.0490(5) Uani 1 1 d . .
C22 C -0.1012(2) 0.10212(16) 0.06993(12) 0.0446(5) Uani 1 1 d . .
H22A H -0.0416 0.0771 0.0441 0.053 Uiso 1 1 calc R .
C23 C -0.06991(18) 0.19535(15) 0.11847(11) 0.0365(4) Uani 1 1 d . .
C24 C -0.3756(2) 0.2175(2) 0.17484(16) 0.0532(5) Uani 1 1 d . .
H24A H -0.4472 0.1825 0.1426 0.080 Uiso 1 1 calc R .
H24B H -0.3611 0.2919 0.1694 0.080 Uiso 1 1 calc R .
H24C H -0.3849 0.2031 0.2323 0.080 Uiso 1 1 calc R .
C25 C -0.2478(3) -0.0538(2) 0.00546(18) 0.0728(9) Uani 1 1 d . .
H25A H -0.1901 -0.0524 -0.0360 0.109 Uiso 1 1 calc R .
H25B H -0.3257 -0.0614 -0.0213 0.109 Uiso 1 1 calc R .
H25C H -0.2485 -0.1120 0.0393 0.109 Uiso 1 1 calc R .
C26 C 0.05759(19) 0.25292(17) 0.11941(12) 0.0411(4) Uani 1 1 d . .
H26A H 0.0954 0.2508 0.1733 0.062 Uiso 1 1 calc R .
H26B H 0.0625 0.3247 0.1075 0.062 Uiso 1 1 calc R .
H26C H 0.0974 0.2205 0.0780 0.062 Uiso 1 1 calc R .
K1 K 0.30210(4) 0.86263(3) 0.28068(2) 0.03517(13) Uani 1 1 d . .
N1 N 0.05055(15) 0.87383(13) 0.24096(10) 0.0400(4) Uani 1 1 d . .
N2 N 0.55695(16) 0.85499(16) 0.32238(11) 0.0457(4) Uani 1 1 d . .
O1 O 0.20368(13) 0.80485(11) 0.12481(8) 0.0411(3) Uani 1 1 d . .
O2 O 0.43029(13) 0.77706(12) 0.16415(8) 0.0436(3) Uani 1 1 d . .
O3 O 0.12277(13) 0.76079(12) 0.37697(8) 0.0420(3) Uani 1 1 d . .
O4 O 0.36124(14) 0.77136(12) 0.42414(9) 0.0470(4) Uani 1 1 d . .
O5 O 0.23542(15) 1.05456(11) 0.29616(10) 0.0472(4) Uani 1 1 d . .
O6 O 0.47439(15) 1.04598(12) 0.32065(10) 0.0505(4) Uani 1 1 d . .
C27 C 0.0238(2) 0.84942(18) 0.15291(13) 0.0459(5) Uani 1 1 d . .
H27A H 0.0510 0.9129 0.1239 0.055 Uiso 1 1 calc R .
H27B H -0.0623 0.8266 0.1428 0.055 Uiso 1 1 calc R .
C28 C 0.07929(19) 0.76713(17) 0.11797(12) 0.0427(4) Uani 1 1 d . .
H28A H 0.0562 0.7041 0.1481 0.051 Uiso 1 1 calc R .
H28B H 0.0524 0.7496 0.0600 0.051 Uiso 1 1 calc R .
C29 C 0.2599(2) 0.74340(17) 0.07392(12) 0.0445(5) Uani 1 1 d . .
H29A H 0.2316 0.7433 0.0164 0.053 Uiso 1 1 calc R .
H29B H 0.2412 0.6715 0.0902 0.053 Uiso 1 1 calc R .
C30 C 0.3891(2) 0.78726(19) 0.08259(12) 0.0468(5) Uani 1 1 d . .
H30A H 0.4289 0.7502 0.0434 0.056 Uiso 1 1 calc R .
H30B H 0.4071 0.8609 0.0706 0.056 Uiso 1 1 calc R .
C31 C 0.5546(2) 0.8062(2) 0.17353(14) 0.0492(5) Uani 1 1 d . .
H31A H 0.5827 0.8799 0.1631 0.059 Uiso 1 1 calc R .
H31B H 0.5887 0.7649 0.1337 0.059 Uiso 1 1 calc R .
C32 C 0.5928(2) 0.7885(2) 0.25895(15) 0.0529(5) Uani 1 1 d . .
H32A H 0.5597 0.7156 0.2696 0.063 Uiso 1 1 calc R .
H32B H 0.6792 0.8004 0.2630 0.063 Uiso 1 1 calc R .
C33 C -0.02534(19) 0.79695(19) 0.28767(14) 0.0466(5) Uani 1 1 d . .
H33A H -0.0320 0.7277 0.2607 0.056 Uiso 1 1 calc R .
H33B H -0.1047 0.8103 0.2866 0.056 Uiso 1 1 calc R .
C34 C 0.01808(19) 0.79698(19) 0.37510(13) 0.0457(5) Uani 1 1 d . .
H34A H 0.0339 0.8676 0.4013 0.055 Uiso 1 1 calc R .
H34B H -0.0422 0.7517 0.4055 0.055 Uiso 1 1 calc R .
C35 C 0.1632(2) 0.75263(19) 0.45859(12) 0.0476(5) Uani 1 1 d . .
H35A H 0.0994 0.7106 0.4883 0.057 Uiso 1 1 calc R .
H35B H 0.1877 0.8220 0.4871 0.057 Uiso 1 1 calc R .
C36 C 0.2645(2) 0.70315(19) 0.45686(14) 0.0500(5) Uani 1 1 d . .
H36A H 0.2864 0.6877 0.5128 0.060 Uiso 1 1 calc R .
H36B H 0.2426 0.6376 0.4227 0.060 Uiso 1 1 calc R .
C37 C 0.4599(2) 0.7272(2) 0.41756(16) 0.0570(6) Uani 1 1 d . .
H37A H 0.4450 0.6733 0.3722 0.068 Uiso 1 1 calc R .
H37B H 0.4741 0.6950 0.4686 0.068 Uiso 1 1 calc R .
C38 C 0.5654(2) 0.8112(2) 0.40199(15) 0.0599(6) Uani 1 1 d . .
H38A H 0.5752 0.8670 0.4456 0.072 Uiso 1 1 calc R .
H38B H 0.6360 0.7830 0.4049 0.072 Uiso 1 1 calc R .
C39 C 0.0334(2) 0.97713(18) 0.26258(15) 0.0504(5) Uani 1 1 d . .
H39A H 0.0193 0.9827 0.3214 0.060 Uiso 1 1 calc R .
H39B H -0.0371 0.9863 0.2317 0.060 Uiso 1 1 calc R .
C40 C 0.1363(2) 1.06160(17) 0.24489(14) 0.0498(5) Uani 1 1 d . .
H40A H 0.1542 1.0547 0.1868 0.060 Uiso 1 1 calc R .
H40B H 0.1180 1.1295 0.2555 0.060 Uiso 1 1 calc R .
C41 C 0.3308(3) 1.14031(16) 0.28983(16) 0.0559(6) Uani 1 1 d . .
H41A H 0.3065 1.2050 0.3031 0.067 Uiso 1 1 calc R .
H41B H 0.3572 1.1416 0.2334 0.067 Uiso 1 1 calc R .
C42 C 0.4285(3) 1.13132(19) 0.34812(17) 0.0589(6) Uani 1 1 d . .
H42A H 0.4911 1.1956 0.3511 0.071 Uiso 1 1 calc R .
H42B H 0.3991 1.1206 0.4033 0.071 Uiso 1 1 calc R .
C43 C 0.5769(2) 1.0397(2) 0.36689(17) 0.0624(7) Uani 1 1 d . .
H43A H 0.5567 1.0195 0.4225 0.075 Uiso 1 1 calc R .
H43B H 0.6335 1.1077 0.3716 0.075 Uiso 1 1 calc R .
C44 C 0.6310(2) 0.9605(2) 0.32457(16) 0.0564(6) Uani 1 1 d . .
H44A H 0.6461 0.9794 0.2680 0.068 Uiso 1 1 calc R .
H44B H 0.7074 0.9620 0.3530 0.068 Uiso 1 1 calc R .
O7B O -0.4842(5) 0.5470(5) -0.0247(4) 0.032(3) Uani 0.212(10) 1 d P 1
C45 C -0.4510(7) 0.6463(9) -0.0410(6) 0.196(4) Uani 1 1 d . .
C46 C -0.3783(5) 0.6156(6) -0.1531(4) 0.128(2) Uani 1 1 d . .
C47 C -0.4298(7) 0.5199(5) -0.1103(5) 0.155(3) Uani 1 1 d . .
O7A O -0.520(2) 0.5442(16) -0.0628(13) 0.61(3) Uani 0.788(10) 1 d P 2
C48 C -0.3590(18) 0.6770(19) -0.1011(11) 0.356(10) 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'
K K 0.2009 0.2494 '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'
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
F2 B1 C2 102.14(13) . .
F2 B1 C18 109.31(15) . .
C2 B1 C18 108.75(14) . .
F2 B1 C9 102.56(13) . .
C2 B1 C9 119.62(15) . .
C18 B1 C9 113.28(14) . .
F1 Si1 C7 101.48(8) . .
F1 Si1 C8 100.22(9) . .
C7 Si1 C8 114.74(10) . .
F1 Si1 C1 101.26(7) . .
C7 Si1 C1 117.79(9) . .
C8 Si1 C1 116.81(10) . .
C6 C1 C2 119.26(16) . .
C6 C1 Si1 117.02(13) . .
C2 C1 Si1 123.71(13) . .
C3 C2 C1 117.16(16) . .
C3 C2 B1 122.26(15) . .
C1 C2 B1 120.33(15) . .
C4 C3 C2 122.94(17) . .
C4 C3 H3A 118.5 . .
C2 C3 H3A 118.5 . .
C5 C4 C3 119.63(17) . .
C5 C4 H4A 120.2 . .
C3 C4 H4A 120.2 . .
C4 C5 C6 119.42(17) . .
C4 C5 H5A 120.3 . .
C6 C5 H5A 120.3 . .
C5 C6 C1 121.58(17) . .
C5 C6 H6A 119.2 . .
C1 C6 H6A 119.2 . .
Si1 C7 H7A 109.5 . .
Si1 C7 H7B 109.5 . .
H7A C7 H7B 109.5 . .
Si1 C7 H7C 109.5 . .
H7A C7 H7C 109.5 . .
H7B C7 H7C 109.5 . .
Si1 C8 H8A 109.5 . .
Si1 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
Si1 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
C14 C9 C10 116.15(17) . .
C14 C9 B1 126.94(15) . .
C10 C9 B1 116.84(16) . .
C11 C10 C9 120.78(19) . .
C11 C10 C15 116.77(17) . .
C9 C10 C15 122.45(17) . .
C12 C11 C10 122.74(18) . .
C12 C11 H11A 118.6 . .
C10 C11 H11A 118.6 . .
C11 C12 C13 116.98(18) . .
C11 C12 C16 122.0(2) . .
C13 C12 C16 121.0(2) . .
C12 C13 C14 122.1(2) . .
C12 C13 H13A 119.0 . .
C14 C13 H13A 119.0 . .
C9 C14 C13 121.24(18) . .
C9 C14 C17 123.67(17) . .
C13 C14 C17 115.09(19) . .
C10 C15 H15A 109.5 . .
C10 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
C10 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
C12 C16 H16A 109.5 . .
C12 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
C12 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
C14 C17 H17A 109.5 . .
C14 C17 H17B 109.5 . .
H17A C17 H17B 109.5 . .
C14 C17 H17C 109.5 . .
H17A C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
C19 C18 C23 115.82(17) . .
C19 C18 B1 121.25(16) . .
C23 C18 B1 122.90(17) . .
C20 C19 C18 121.41(19) . .
C20 C19 C24 116.0(2) . .
C18 C19 C24 122.49(18) . .
C21 C20 C19 121.8(2) . .
C21 C20 H20A 119.1 . .
C19 C20 H20A 119.1 . .
C22 C21 C20 117.49(19) . .
C22 C21 C25 121.3(2) . .
C20 C21 C25 121.2(2) . .
C21 C22 C23 122.1(2) . .
C21 C22 H22A 119.0 . .
C23 C22 H22A 119.0 . .
C22 C23 C18 121.0(2) . .
C22 C23 C26 116.04(18) . .
C18 C23 C26 122.87(17) . .
C19 C24 H24A 109.5 . .
C19 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
C19 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
C21 C25 H25A 109.5 . .
C21 C25 H25B 109.5 . .
H25A C25 H25B 109.5 . .
C21 C25 H25C 109.5 . .
H25A C25 H25C 109.5 . .
H25B C25 H25C 109.5 . .
C23 C26 H26A 109.5 . .
C23 C26 H26B 109.5 . .
H26A C26 H26B 109.5 . .
C23 C26 H26C 109.5 . .
H26A C26 H26C 109.5 . .
H26B C26 H26C 109.5 . .
O1 K1 O6 123.35(5) . .
O1 K1 O3 101.75(5) . .
O6 K1 O3 128.48(5) . .
O1 K1 O2 60.64(4) . .
O6 K1 O2 96.62(5) . .
O3 K1 O2 129.01(5) . .
O1 K1 O4 139.66(5) . .
O6 K1 O4 92.45(5) . .
O3 K1 O4 60.25(4) . .
O2 K1 O4 100.90(5) . .
O1 K1 O5 96.41(5) . .
O6 K1 O5 60.33(5) . .
O3 K1 O5 93.91(4) . .
O2 K1 O5 132.90(5) . .
O4 K1 O5 119.15(5) . .
O1 K1 N1 60.54(4) . .
O6 K1 N1 119.40(5) . .
O3 K1 N1 60.70(4) . .
O2 K1 N1 120.95(5) . .
O4 K1 N1 120.55(5) . .
O5 K1 N1 59.26(5) . .
O1 K1 N2 120.17(5) . .
O6 K1 N2 59.69(5) . .
O3 K1 N2 119.45(5) . .
O2 K1 N2 59.82(5) . .
O4 K1 N2 59.47(5) . .
O5 K1 N2 119.80(5) . .
N1 K1 N2 179.01(5) . .
C33 N1 C39 110.22(17) . .
C33 N1 C27 110.32(17) . .
C39 N1 C27 109.14(16) . .
C33 N1 K1 107.32(12) . .
C39 N1 K1 111.22(13) . .
C27 N1 K1 108.59(12) . .
C38 N2 C44 110.34(19) . .
C38 N2 C32 109.20(19) . .
C44 N2 C32 110.67(19) . .
C38 N2 K1 109.78(13) . .
C44 N2 K1 108.54(14) . .
C32 N2 K1 108.27(12) . .
C29 O1 C28 111.17(15) . .
C29 O1 K1 117.06(11) . .
C28 O1 K1 116.06(11) . .
C31 O2 C30 111.69(16) . .
C31 O2 K1 117.63(12) . .
C30 O2 K1 111.40(11) . .
C35 O3 C34 111.12(16) . .
C35 O3 K1 112.90(12) . .
C34 O3 K1 116.08(12) . .
C37 O4 C36 112.18(17) . .
C37 O4 K1 114.11(13) . .
C36 O4 K1 114.17(12) . .
C41 O5 C40 111.25(18) . .
C41 O5 K1 112.66(13) . .
C40 O5 K1 115.44(12) . .
C43 O6 C42 112.75(19) . .
C43 O6 K1 118.16(15) . .
C42 O6 K1 114.10(14) . .
N1 C27 C28 113.67(16) . .
N1 C27 H27A 108.8 . .
C28 C27 H27A 108.8 . .
N1 C27 H27B 108.8 . .
C28 C27 H27B 108.8 . .
H27A C27 H27B 107.7 . .
O1 C28 C27 108.68(17) . .
O1 C28 H28A 110.0 . .
C27 C28 H28A 110.0 . .
O1 C28 H28B 110.0 . .
C27 C28 H28B 110.0 . .
H28A C28 H28B 108.3 . .
O1 C29 C30 108.77(17) . .
O1 C29 H29A 109.9 . .
C30 C29 H29A 109.9 . .
O1 C29 H29B 109.9 . .
C30 C29 H29B 109.9 . .
H29A C29 H29B 108.3 . .
O2 C30 C29 109.11(17) . .
O2 C30 H30A 109.9 . .
C29 C30 H30A 109.9 . .
O2 C30 H30B 109.9 . .
C29 C30 H30B 109.9 . .
H30A C30 H30B 108.3 . .
O2 C31 C32 109.25(18) . .
O2 C31 H31A 109.8 . .
C32 C31 H31A 109.8 . .
O2 C31 H31B 109.8 . .
C32 C31 H31B 109.8 . .
H31A C31 H31B 108.3 . .
N2 C32 C31 113.92(18) . .
N2 C32 H32A 108.8 . .
C31 C32 H32A 108.8 . .
N2 C32 H32B 108.8 . .
C31 C32 H32B 108.8 . .
H32A C32 H32B 107.7 . .
N1 C33 C34 113.70(18) . .
N1 C33 H33A 108.8 . .
C34 C33 H33A 108.8 . .
N1 C33 H33B 108.8 . .
C34 C33 H33B 108.8 . .
H33A C33 H33B 107.7 . .
O3 C34 C33 108.88(17) . .
O3 C34 H34A 109.9 . .
C33 C34 H34A 109.9 . .
O3 C34 H34B 109.9 . .
C33 C34 H34B 109.9 . .
H34A C34 H34B 108.3 . .
O3 C35 C36 108.84(17) . .
O3 C35 H35A 109.9 . .
C36 C35 H35A 109.9 . .
O3 C35 H35B 109.9 . .
C36 C35 H35B 109.9 . .
H35A C35 H35B 108.3 . .
O4 C36 C35 109.15(18) . .
O4 C36 H36A 109.8 . .
C35 C36 H36A 109.9 . .
O4 C36 H36B 109.9 . .
C35 C36 H36B 109.8 . .
H36A C36 H36B 108.3 . .
O4 C37 C38 108.6(2) . .
O4 C37 H37A 110.0 . .
C38 C37 H37A 110.0 . .
O4 C37 H37B 110.0 . .
C38 C37 H37B 110.0 . .
H37A C37 H37B 108.4 . .
N2 C38 C37 113.40(19) . .
N2 C38 H38A 108.9 . .
C37 C38 H38A 108.9 . .
N2 C38 H38B 108.9 . .
C37 C38 H38B 108.9 . .
H38A C38 H38B 107.7 . .
N1 C39 C40 112.85(18) . .
N1 C39 H39A 109.0 . .
C40 C39 H39A 109.0 . .
N1 C39 H39B 109.0 . .
C40 C39 H39B 109.0 . .
H39A C39 H39B 107.8 . .
O5 C40 C39 108.85(17) . .
O5 C40 H40A 109.9 . .
C39 C40 H40A 109.9 . .
O5 C40 H40B 109.9 . .
C39 C40 H40B 109.9 . .
H40A C40 H40B 108.3 . .
O5 C41 C42 108.5(2) . .
O5 C41 H41A 110.0 . .
C42 C41 H41A 110.0 . .
O5 C41 H41B 110.0 . .
C42 C41 H41B 110.0 . .
H41A C41 H41B 108.4 . .
O6 C42 C41 109.14(19) . .
O6 C42 H42A 109.9 . .
C41 C42 H42A 109.9 . .
O6 C42 H42B 109.9 . .
C41 C42 H42B 109.9 . .
H42A C42 H42B 108.3 . .
O6 C43 C44 108.8(2) . .
O6 C43 H43A 109.9 . .
C44 C43 H43A 109.9 . .
O6 C43 H43B 109.9 . .
C44 C43 H43B 109.9 . .
H43A C43 H43B 108.3 . .
N2 C44 C43 113.3(2) . .
N2 C44 H44A 108.9 . .
C43 C44 H44A 108.9 . .
N2 C44 H44B 108.9 . .
C43 C44 H44B 108.9 . .
H44A C44 H44B 107.7 . .
C45 O7B O7B 159.2(8) . 2_465
C45 O7B C47 87.3(6) . .
O7B O7B C47 111.2(6) 2_465 .
O7B C45 O7A 30.4(13) . .
O7B C45 C48 118.7(12) . .
O7A C45 C48 110.1(12) . .
C48 C46 C47 102.3(12) . .
O7A C47 C46 106.0(11) . .
O7A C47 O7B 26.7(12) . .
C46 C47 O7B 111.8(5) . .
C47 O7A C45 92.1(9) . .
C46 C48 C45 107.0(18) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
B1 F2 1.491(2) .
B1 C2 1.634(3) .
B1 C18 1.663(3) .
B1 C9 1.667(3) .
Si1 F1 1.6440(13) .
Si1 C7 1.862(2) .
Si1 C8 1.863(2) .
Si1 C1 1.8774(19) .
C1 C6 1.413(2) .
C1 C2 1.423(2) .
C2 C3 1.404(2) .
C3 C4 1.390(3) .
C3 H3A 0.9500 .
C4 C5 1.384(3) .
C4 H4A 0.9500 .
C5 C6 1.391(3) .
C5 H5A 0.9500 .
C6 H6A 0.9500 .
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 C14 1.406(3) .
C9 C10 1.423(2) .
C10 C11 1.402(3) .
C10 C15 1.510(3) .
C11 C12 1.378(3) .
C11 H11A 0.9500 .
C12 C13 1.385(3) .
C12 C16 1.511(3) .
C13 C14 1.411(3) .
C13 H13A 0.9500 .
C14 C17 1.516(3) .
C15 H15A 0.9800 .
C15 H15B 0.9800 .
C15 H15C 0.9800 .
C16 H16A 0.9800 .
C16 H16B 0.9800 .
C16 H16C 0.9800 .
C17 H17A 0.9800 .
C17 H17B 0.9800 .
C17 H17C 0.9800 .
C18 C19 1.417(3) .
C18 C23 1.422(3) .
C19 C20 1.401(3) .
C19 C24 1.513(3) .
C20 C21 1.393(3) .
C20 H20A 0.9500 .
C21 C22 1.379(4) .
C21 C25 1.516(3) .
C22 C23 1.408(3) .
C22 H22A 0.9500 .
C23 C26 1.515(3) .
C24 H24A 0.9800 .
C24 H24B 0.9800 .
C24 H24C 0.9800 .
C25 H25A 0.9800 .
C25 H25B 0.9800 .
C25 H25C 0.9800 .
C26 H26A 0.9800 .
C26 H26B 0.9800 .
C26 H26C 0.9800 .
K1 O1 2.7618(14) .
K1 O6 2.8175(16) .
K1 O3 2.8238(15) .
K1 O2 2.8403(14) .
K1 O4 2.8482(15) .
K1 O5 2.8568(15) .
K1 N1 3.0422(17) .
K1 N2 3.0725(18) .
N1 C33 1.468(3) .
N1 C39 1.470(3) .
N1 C27 1.472(3) .
N2 C38 1.472(3) .
N2 C44 1.472(3) .
N2 C32 1.473(3) .
O1 C29 1.428(2) .
O1 C28 1.429(3) .
O2 C31 1.421(3) .
O2 C30 1.431(2) .
O3 C35 1.423(2) .
O3 C34 1.424(3) .
O4 C37 1.425(3) .
O4 C36 1.426(3) .
O5 C41 1.416(3) .
O5 C40 1.434(3) .
O6 C43 1.420(3) .
O6 C42 1.433(3) .
C27 C28 1.506(3) .
C27 H27A 0.9900 .
C27 H27B 0.9900 .
C28 H28A 0.9900 .
C28 H28B 0.9900 .
C29 C30 1.493(3) .
C29 H29A 0.9900 .
C29 H29B 0.9900 .
C30 H30A 0.9900 .
C30 H30B 0.9900 .
C31 C32 1.505(3) .
C31 H31A 0.9900 .
C31 H31B 0.9900 .
C32 H32A 0.9900 .
C32 H32B 0.9900 .
C33 C34 1.505(3) .
C33 H33A 0.9900 .
C33 H33B 0.9900 .
C34 H34A 0.9900 .
C34 H34B 0.9900 .
C35 C36 1.493(3) .
C35 H35A 0.9900 .
C35 H35B 0.9900 .
C36 H36A 0.9900 .
C36 H36B 0.9900 .
C37 C38 1.507(4) .
C37 H37A 0.9900 .
C37 H37B 0.9900 .
C38 H38A 0.9900 .
C38 H38B 0.9900 .
C39 C40 1.500(4) .
C39 H39A 0.9900 .
C39 H39B 0.9900 .
C40 H40A 0.9900 .
C40 H40B 0.9900 .
C41 C42 1.495(4) .
C41 H41A 0.9900 .
C41 H41B 0.9900 .
C42 H42A 0.9900 .
C42 H42B 0.9900 .
C43 C44 1.512(4) .
C43 H43A 0.9900 .
C43 H43B 0.9900 .
C44 H44A 0.9900 .
C44 H44B 0.9900 .
O7B C45 1.339(13) .
O7B O7B 1.515(16) 2_465
O7B C47 1.629(9) .
C45 O7A 1.433(15) .
C45 C48 1.498(16) .
C46 C48 1.13(2) .
C46 C47 1.507(9) .
C47 O7A 1.426(18) .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
F1 Si1 C1 C6 -16.75(17) .
C7 Si1 C1 C6 -126.28(16) .
C8 Si1 C1 C6 90.91(18) .
F1 Si1 C1 C2 163.36(16) .
C7 Si1 C1 C2 53.83(19) .
C8 Si1 C1 C2 -88.98(18) .
C6 C1 C2 C3 -0.2(3) .
Si1 C1 C2 C3 179.65(14) .
C6 C1 C2 B1 -174.70(18) .
Si1 C1 C2 B1 5.2(3) .
F2 B1 C2 C3 -151.02(17) .
C18 B1 C2 C3 -35.5(2) .
C9 B1 C2 C3 96.8(2) .
F2 B1 C2 C1 23.1(2) .
C18 B1 C2 C1 138.63(17) .
C9 B1 C2 C1 -89.1(2) .
C1 C2 C3 C4 0.7(3) .
B1 C2 C3 C4 175.09(18) .
C2 C3 C4 C5 -0.9(3) .
C3 C4 C5 C6 0.6(3) .
C4 C5 C6 C1 -0.1(3) .
C2 C1 C6 C5 -0.1(3) .
Si1 C1 C6 C5 -179.96(16) .
F2 B1 C9 C14 -122.39(18) .
C2 B1 C9 C14 -10.4(3) .
C18 B1 C9 C14 119.92(18) .
F2 B1 C9 C10 54.19(18) .
C2 B1 C9 C10 166.18(15) .
C18 B1 C9 C10 -63.50(19) .
C14 C9 C10 C11 0.8(2) .
B1 C9 C10 C11 -176.16(15) .
C14 C9 C10 C15 -179.26(16) .
B1 C9 C10 C15 3.8(2) .
C9 C10 C11 C12 -1.2(3) .
C15 C10 C11 C12 178.87(17) .
C10 C11 C12 C13 0.1(3) .
C10 C11 C12 C16 -179.53(18) .
C11 C12 C13 C14 1.3(3) .
C16 C12 C13 C14 -179.05(18) .
C10 C9 C14 C13 0.6(2) .
B1 C9 C14 C13 177.18(16) .
C10 C9 C14 C17 -179.68(17) .
B1 C9 C14 C17 -3.1(3) .
C12 C13 C14 C9 -1.7(3) .
C12 C13 C14 C17 178.54(18) .
F2 B1 C18 C19 30.0(2) .
C2 B1 C18 C19 -80.8(2) .
C9 B1 C18 C19 143.67(17) .
F2 B1 C18 C23 -151.86(16) .
C2 B1 C18 C23 97.38(19) .
C9 B1 C18 C23 -38.2(2) .
C23 C18 C19 C20 6.0(3) .
B1 C18 C19 C20 -175.70(17) .
C23 C18 C19 C24 -171.22(19) .
B1 C18 C19 C24 7.0(3) .
C18 C19 C20 C21 -2.0(3) .
C24 C19 C20 C21 175.5(2) .
C19 C20 C21 C22 -2.2(3) .
C19 C20 C21 C25 -179.7(2) .
C20 C21 C22 C23 1.9(3) .
C25 C21 C22 C23 179.4(2) .
C21 C22 C23 C18 2.5(3) .
C21 C22 C23 C26 -175.03(19) .
C19 C18 C23 C22 -6.3(3) .
B1 C18 C23 C22 175.49(16) .
C19 C18 C23 C26 171.04(17) .
B1 C18 C23 C26 -7.2(3) .
O1 K1 N1 C33 113.50(14) .
O6 K1 N1 C33 -132.51(13) .
O3 K1 N1 C33 -12.32(12) .
O2 K1 N1 C33 108.01(13) .
O4 K1 N1 C33 -19.59(14) .
O5 K1 N1 C33 -127.46(14) .
N2 K1 N1 C33 -111(3) .
O1 K1 N1 C39 -125.86(14) .
O6 K1 N1 C39 -11.88(15) .
O3 K1 N1 C39 108.31(14) .
O2 K1 N1 C39 -131.36(13) .
O4 K1 N1 C39 101.05(14) .
O5 K1 N1 C39 -6.83(13) .
N2 K1 N1 C39 10(3) .
O1 K1 N1 C27 -5.74(12) .
O6 K1 N1 C27 108.24(13) .
O3 K1 N1 C27 -131.57(14) .
O2 K1 N1 C27 -11.24(15) .
O4 K1 N1 C27 -138.83(13) .
O5 K1 N1 C27 113.29(14) .
N2 K1 N1 C27 130(3) .
O1 K1 N2 C38 -137.04(16) .
O6 K1 N2 C38 109.58(17) .
O3 K1 N2 C38 -10.26(18) .
O2 K1 N2 C38 -130.78(18) .
O4 K1 N2 C38 -4.13(16) .
O5 K1 N2 C38 104.16(16) .
N1 K1 N2 C38 88(3) .
O1 K1 N2 C44 102.29(14) .
O6 K1 N2 C44 -11.09(13) .
O3 K1 N2 C44 -130.94(14) .
O2 K1 N2 C44 108.54(15) .
O4 K1 N2 C44 -124.81(15) .
O5 K1 N2 C44 -16.51(16) .
N1 K1 N2 C44 -33(3) .
O1 K1 N2 C32 -17.90(16) .
O6 K1 N2 C32 -131.28(15) .
O3 K1 N2 C32 108.87(14) .
O2 K1 N2 C32 -11.64(13) .
O4 K1 N2 C32 115.01(15) .
O5 K1 N2 C32 -136.70(14) .
N1 K1 N2 C32 -153(3) .
O6 K1 O1 C29 90.35(14) .
O3 K1 O1 C29 -115.77(13) .
O2 K1 O1 C29 12.59(13) .
O4 K1 O1 C29 -58.31(16) .
O5 K1 O1 C29 148.87(13) .
N1 K1 O1 C29 -162.00(15) .
N2 K1 O1 C29 18.80(15) .
O6 K1 O1 C28 -135.11(13) .
O3 K1 O1 C28 18.77(13) .
O2 K1 O1 C28 147.12(14) .
O4 K1 O1 C28 76.22(14) .
O5 K1 O1 C28 -76.60(13) .
N1 K1 O1 C28 -27.47(12) .
N2 K1 O1 C28 153.33(12) .
O1 K1 O2 C31 152.42(16) .
O6 K1 O2 C31 27.68(15) .
O3 K1 O2 C31 -126.49(14) .
O4 K1 O2 C31 -66.11(15) .
O5 K1 O2 C31 82.77(15) .
N1 K1 O2 C31 157.91(14) .
N2 K1 O2 C31 -21.37(14) .
O1 K1 O2 C30 21.63(13) .
O6 K1 O2 C30 -103.10(14) .
O3 K1 O2 C30 102.72(14) .
O4 K1 O2 C30 163.11(13) .
O5 K1 O2 C30 -48.02(15) .
N1 K1 O2 C30 27.12(15) .
N2 K1 O2 C30 -152.16(15) .
O1 K1 O3 C35 162.52(13) .
O6 K1 O3 C35 -45.50(15) .
O2 K1 O3 C35 100.94(14) .
O4 K1 O3 C35 21.45(13) .
O5 K1 O3 C35 -100.10(14) .
N1 K1 O3 C35 -151.34(15) .
N2 K1 O3 C35 27.54(15) .
O1 K1 O3 C34 -67.52(14) .
O6 K1 O3 C34 84.46(15) .
O2 K1 O3 C34 -129.10(13) .
O4 K1 O3 C34 151.42(15) .
O5 K1 O3 C34 29.87(14) .
N1 K1 O3 C34 -21.38(13) .
N2 K1 O3 C34 157.50(13) .
O1 K1 O4 C37 72.48(18) .
O6 K1 O4 C37 -81.75(16) .
O3 K1 O4 C37 144.39(17) .
O2 K1 O4 C37 15.48(17) .
O5 K1 O4 C37 -138.83(16) .
N1 K1 O4 C37 151.69(16) .
N2 K1 O4 C37 -29.46(16) .
O1 K1 O4 C36 -58.39(17) .
O6 K1 O4 C36 147.39(15) .
O3 K1 O4 C36 13.52(14) .
O2 K1 O4 C36 -115.39(15) .
O5 K1 O4 C36 90.30(15) .
N1 K1 O4 C36 20.82(16) .
N2 K1 O4 C36 -160.33(16) .
O1 K1 O5 C41 -105.64(15) .
O6 K1 O5 C41 19.30(14) .
O3 K1 O5 C41 152.06(15) .
O2 K1 O5 C41 -50.32(17) .
O4 K1 O5 C41 94.15(15) .
N1 K1 O5 C41 -155.64(16) .
N2 K1 O5 C41 24.68(16) .
O1 K1 O5 C40 23.67(14) .
O6 K1 O5 C40 148.61(15) .
O3 K1 O5 C40 -78.63(14) .
O2 K1 O5 C40 78.99(15) .
O4 K1 O5 C40 -136.54(14) .
N1 K1 O5 C40 -26.33(13) .
N2 K1 O5 C40 154.00(13) .
O1 K1 O6 C43 -130.63(16) .
O3 K1 O6 C43 82.78(17) .
O2 K1 O6 C43 -71.59(17) .
O4 K1 O6 C43 29.68(17) .
O5 K1 O6 C43 152.14(18) .
N1 K1 O6 C43 157.13(16) .
N2 K1 O6 C43 -22.45(16) .
O1 K1 O6 C42 93.32(16) .
O3 K1 O6 C42 -53.27(17) .
O2 K1 O6 C42 152.36(16) .
O4 K1 O6 C42 -106.37(16) .
O5 K1 O6 C42 16.09(15) .
N1 K1 O6 C42 21.09(17) .
N2 K1 O6 C42 -158.49(17) .
C33 N1 C27 C28 -80.4(2) .
C39 N1 C27 C28 158.3(2) .
K1 N1 C27 C28 36.9(2) .
C29 O1 C28 C27 -164.20(16) .
K1 O1 C28 C27 58.70(18) .
N1 C27 C28 O1 -64.7(2) .
C28 O1 C29 C30 179.14(16) .
K1 O1 C29 C30 -44.2(2) .
C31 O2 C30 C29 173.00(18) .
K1 O2 C30 C29 -53.21(19) .
O1 C29 C30 O2 65.5(2) .
C30 O2 C31 C32 -176.97(18) .
K1 O2 C31 C32 52.4(2) .
C38 N2 C32 C31 162.7(2) .
C44 N2 C32 C31 -75.7(2) .
K1 N2 C32 C31 43.2(2) .
O2 C31 C32 N2 -65.7(3) .
C39 N1 C33 C34 -76.4(2) .
C27 N1 C33 C34 163.04(18) .
K1 N1 C33 C34 44.9(2) .
C35 O3 C34 C33 -176.01(18) .
K1 O3 C34 C33 53.2(2) .
N1 C33 C34 O3 -68.3(2) .
C34 O3 C35 C36 173.52(19) .
K1 O3 C35 C36 -54.0(2) .
C37 O4 C36 C35 -177.58(19) .
K1 O4 C36 C35 -45.8(2) .
O3 C35 C36 O4 67.6(2) .
C36 O4 C37 C38 -166.73(19) .
K1 O4 C37 C38 61.4(2) .
C44 N2 C38 C37 155.4(2) .
C32 N2 C38 C37 -82.7(3) .
K1 N2 C38 C37 35.8(3) .
O4 C37 C38 N2 -66.3(3) .
C33 N1 C39 C40 157.09(19) .
C27 N1 C39 C40 -81.6(2) .
K1 N1 C39 C40 38.2(2) .
C41 O5 C40 C39 -172.28(17) .
K1 O5 C40 C39 57.72(19) .
N1 C39 C40 O5 -64.8(2) .
C40 O5 C41 C42 176.79(17) .
K1 O5 C41 C42 -51.8(2) .
C43 O6 C42 C41 172.6(2) .
K1 O6 C42 C41 -48.9(2) .
O5 C41 C42 O6 68.4(2) .
C42 O6 C43 C44 -169.8(2) .
K1 O6 C43 C44 53.6(2) .
C38 N2 C44 C43 -77.9(3) .
C32 N2 C44 C43 161.1(2) .
K1 N2 C44 C43 42.4(2) .
O6 C43 C44 N2 -65.4(3) .
O7B O7B C45 O7A -146(3) 2_465
C47 O7B C45 O7A 61.1(16) .
O7B O7B C45 C48 133(2) 2_465
C47 O7B C45 C48 -19.7(12) .
C48 C46 C47 O7A 50.8(17) .
C48 C46 C47 O7B 23.2(14) .
C45 O7B C47 O7A -82.2(19) .
O7B O7B C47 O7A 108(2) 2_465
C45 O7B C47 C46 0.2(7) .
O7B O7B C47 C46 -169.9(6) 2_465
C46 C47 O7A C45 -38.9(18) .
O7B C47 O7A C45 67.8(13) .
O7B C45 O7A C47 -92(3) .
C48 C45 O7A C47 21(2) .
C47 C46 C48 C45 -32.6(18) .
O7B C45 C48 C46 41(2) .
O7A C45 C48 C46 9(3) .
