#------------------------------------------------------------------------------
#$Date: 2016-03-25 09:47:24 +0100 (vie 25 de mar de 2016) $
#$Revision: 179764 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/60/7006015.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_7006015
loop_
_publ_author_name
'Izod, Keith'
'Wills, Corinne'
'Clegg, William'
'Harrington, Ross W.'
_publ_section_title
;
 Alkali metal complexes of a phosphine-borane-stabilised carbanion:
 influence of co-ligands on structure.
;
_journal_issue                   33
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3669
_journal_page_last               3675
_journal_paper_doi               10.1039/b708279g
_journal_year                    2007
_chemical_formula_moiety         'C22 H62 B2 K2 O P2 Si4'
_chemical_formula_sum            'C22 H62 B2 K2 O P2 Si4'
_chemical_formula_weight         616.84
_chemical_name_systematic
;
?
;
_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   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                115.522(6)
_cell_angle_beta                 113.770(11)
_cell_angle_gamma                93.432(8)
_cell_formula_units_Z            2
_cell_length_a                   12.614(2)
_cell_length_b                   13.3311(11)
_cell_length_c                   14.5257(16)
_cell_measurement_reflns_used    285
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      2.50
_cell_volume                     1935.0(5)
_computing_cell_refinement       EvalCCD
_computing_data_collection       'Nonius COLLECT'
_computing_data_reduction        EvalCCD
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL and local programs'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Nonius KappaCCD diffractometer'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0306
_diffrn_reflns_av_sigmaI/netI    0.0344
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            24649
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         4.14
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.465
_exptl_absorpt_correction_T_max  0.873
_exptl_absorpt_correction_T_min  0.787
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.059
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             672
_exptl_crystal_size_max          0.54
_exptl_crystal_size_mid          0.34
_exptl_crystal_size_min          0.30
_refine_diff_density_max         0.352
_refine_diff_density_min         -0.453
_refine_diff_density_rms         0.077
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.132
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     351
_refine_ls_number_reflns         7550
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.132
_refine_ls_R_factor_all          0.0582
_refine_ls_R_factor_gt           0.0373
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0605P)²+0.7993P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1042
_refine_ls_wR_factor_ref         0.1183
_reflns_number_gt                5849
_reflns_number_total             7550
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            b708279g.txt
_cod_data_source_block           ki260_compound_2a
_cod_original_cell_volume        1934.9(4)
_cod_database_code               7006015
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_assembly
_atom_site_disorder_group
K1 K 0.30359(5) 0.43332(4) 0.79567(5) 0.03336(14) Uani 1 1 d . . .
K2 K 0.06618(5) 0.18536(5) 0.75331(5) 0.03608(15) Uani 1 1 d . . .
P1 P 0.40162(5) 0.38525(5) 1.14464(5) 0.02230(16) Uani 0.9638(14) 1 d P . 1
P2 P 0.22509(5) 0.07710(5) 0.47983(5) 0.02729(15) Uani 1 1 d . . .
Si1 Si 0.54950(6) 0.25022(6) 1.04732(6) 0.03090(18) Uani 0.9638(14) 1 d P . 1
Si2 Si 0.63906(6) 0.37340(6) 1.31624(6) 0.02728(17) Uani 0.9638(14) 1 d P . 1
Si3 Si 0.20339(6) -0.06420(6) 0.23715(6) 0.03297(17) Uani 1 1 d . . .
Si4 Si 0.02957(6) 0.08876(6) 0.27913(5) 0.02864(16) Uani 1 1 d . . .
O1 O 0.06509(15) 0.40381(15) 0.76403(15) 0.0403(4) Uani 1 1 d . . .
B1 B 0.2982(3) 0.3637(3) 0.9926(3) 0.0405(7) Uani 1 1 d . . .
H1A H 0.300(2) 0.290(2) 0.929(2) 0.037(7) Uiso 1 1 d . . .
H1B H 0.206(3) 0.365(2) 0.993(3) 0.056(9) Uiso 1 1 d . . .
H1C H 0.338(3) 0.437(3) 0.995(3) 0.066(10) Uiso 1 1 d . . .
B2 B 0.1646(3) 0.1732(3) 0.5805(2) 0.0375(7) Uani 1 1 d . . .
H2A H 0.155(3) 0.251(2) 0.572(2) 0.048(8) Uiso 1 1 d . . .
H2B H 0.076(3) 0.120(2) 0.555(2) 0.045(8) Uiso 1 1 d . . .
H2C H 0.240(2) 0.195(2) 0.667(2) 0.043(7) Uiso 1 1 d . . .
C1 C 0.54431(19) 0.36270(18) 1.17531(18) 0.0234(4) Uani 1 1 d . . .
C2 C 0.4092(2) 0.5341(2) 1.2405(2) 0.0391(6) Uani 1 1 d . . .
H2D H 0.4456 0.5497 1.3207 0.059 Uiso 1 1 calc R . 1
H2E H 0.3275 0.5432 1.2170 0.059 Uiso 1 1 calc R . 1
H2F H 0.4585 0.5887 1.2350 0.059 Uiso 1 1 calc R . 1
C3 C 0.3118(2) 0.3000(2) 1.1725(3) 0.0419(6) Uani 1 1 d . . .
H3A H 0.3009 0.2174 1.1247 0.063 Uiso 1 1 calc R . 1
H3B H 0.2327 0.3149 1.1532 0.063 Uiso 1 1 calc R . 1
H3C H 0.3537 0.3221 1.2547 0.063 Uiso 1 1 calc R . 1
C4 C 0.6983(3) 0.2131(3) 1.0890(3) 0.0581(8) Uani 1 1 d . . .
H4A H 0.7641 0.2814 1.1222 0.087 Uiso 1 1 calc R . 1
H4B H 0.6960 0.1501 1.0200 0.087 Uiso 1 1 calc R . 1
H4C H 0.7117 0.1885 1.1465 0.087 Uiso 1 1 calc R . 1
C5 C 0.5391(3) 0.2954(3) 0.9378(3) 0.0584(8) Uani 1 1 d . . .
H5A H 0.4826 0.3426 0.9324 0.088 Uiso 1 1 calc R . 1
H5B H 0.5102 0.2263 0.8618 0.088 Uiso 1 1 calc R . 1
H5C H 0.6190 0.3408 0.9625 0.088 Uiso 1 1 calc R . 1
C6 C 0.4286(3) 0.1087(2) 0.9647(3) 0.0519(8) Uani 1 1 d . . .
H6A H 0.4345 0.0786 1.0169 0.078 Uiso 1 1 calc R . 1
H6B H 0.4395 0.0527 0.9006 0.078 Uiso 1 1 calc R . 1
H6C H 0.3490 0.1213 0.9337 0.078 Uiso 1 1 calc R . 1
C7 C 0.8061(2) 0.4326(2) 1.3712(2) 0.0431(6) Uani 1 1 d . . .
H7A H 0.8275 0.3872 1.3109 0.065 Uiso 1 1 calc R . 1
H7B H 0.8534 0.4274 1.4407 0.065 Uiso 1 1 calc R . 1
H7C H 0.8235 0.5138 1.3903 0.065 Uiso 1 1 calc R . 1
C8 C 0.6202(3) 0.2327(3) 1.3174(3) 0.0479(7) Uani 1 1 d . . .
H8A H 0.5382 0.2058 1.3032 0.072 Uiso 1 1 calc R . 1
H8B H 0.6789 0.2446 1.3930 0.072 Uiso 1 1 calc R . 1
H8C H 0.6337 0.1743 1.2564 0.072 Uiso 1 1 calc R . 1
C9 C 0.6137(3) 0.4777(3) 1.4390(2) 0.0490(7) Uani 1 1 d . . .
H9A H 0.6254 0.5544 1.4458 0.073 Uiso 1 1 calc R . 1
H9B H 0.6713 0.4831 1.5118 0.073 Uiso 1 1 calc R . 1
H9C H 0.5311 0.4494 1.4228 0.073 Uiso 1 1 calc R . 1
C10 C 0.13620(19) 0.01141(18) 0.32968(18) 0.0252(5) Uani 1 1 d . . .
C11 C 0.2646(3) -0.0285(2) 0.5272(2) 0.0450(7) Uani 1 1 d . . .
H11A H 0.3046 -0.0757 0.4864 0.067 Uiso 1 1 calc R . .
H11B H 0.1911 -0.0786 0.5097 0.067 Uiso 1 1 calc R . .
H11C H 0.3193 0.0124 0.6110 0.067 Uiso 1 1 calc R . .
C12 C 0.3742(2) 0.1679(2) 0.5321(2) 0.0458(7) Uani 1 1 d . . .
H12A H 0.4133 0.1223 0.4890 0.069 Uiso 1 1 calc R . .
H12B H 0.4240 0.1953 0.6149 0.069 Uiso 1 1 calc R . .
H12C H 0.3650 0.2345 0.5202 0.069 Uiso 1 1 calc R . .
C13 C 0.0913(3) -0.1974(2) 0.0944(3) 0.0575(9) Uani 1 1 d . . .
H13A H 0.0217 -0.1758 0.0538 0.086 Uiso 1 1 calc R . .
H13B H 0.0641 -0.2561 0.1098 0.086 Uiso 1 1 calc R . .
H13C H 0.1304 -0.2289 0.0461 0.086 Uiso 1 1 calc R . .
C14 C 0.2737(3) 0.0308(3) 0.1992(3) 0.0529(8) Uani 1 1 d . . .
H14A H 0.3366 0.0982 0.2705 0.079 Uiso 1 1 calc R . .
H14B H 0.2115 0.0570 0.1556 0.079 Uiso 1 1 calc R . .
H14C H 0.3095 -0.0134 0.1516 0.079 Uiso 1 1 calc R . .
C15 C 0.3269(3) -0.1267(3) 0.3002(3) 0.0653(9) Uani 1 1 d . . .
H15A H 0.3910 -0.0649 0.3756 0.098 Uiso 1 1 calc R . .
H15B H 0.3605 -0.1604 0.2472 0.098 Uiso 1 1 calc R . .
H15C H 0.2928 -0.1869 0.3102 0.098 Uiso 1 1 calc R . .
C16 C -0.0909(2) 0.0992(2) 0.3259(2) 0.0409(6) Uani 1 1 d . . .
H16A H -0.0532 0.1470 0.4105 0.061 Uiso 1 1 calc R . .
H16B H -0.1345 0.0215 0.3015 0.061 Uiso 1 1 calc R . .
H16C H -0.1477 0.1347 0.2899 0.061 Uiso 1 1 calc R . .
C17 C 0.1005(3) 0.2410(2) 0.3219(3) 0.0522(7) Uani 1 1 d . . .
H17A H 0.1410 0.2895 0.4066 0.078 Uiso 1 1 calc R . .
H17B H 0.0378 0.2727 0.2872 0.078 Uiso 1 1 calc R . .
H17C H 0.1598 0.2400 0.2942 0.078 Uiso 1 1 calc R . .
C18 C -0.0603(3) 0.0102(3) 0.1155(2) 0.0516(7) Uani 1 1 d . . .
H18A H -0.0051 0.0044 0.0827 0.077 Uiso 1 1 calc R . .
H18B H -0.1155 0.0533 0.0915 0.077 Uiso 1 1 calc R . .
H18C H -0.1070 -0.0677 0.0875 0.077 Uiso 1 1 calc R . .
C19 C 0.0585(3) 0.4954(3) 0.8609(2) 0.0506(7) Uani 1 1 d . . .
H19A H 0.1078 0.5715 0.8851 0.061 Uiso 1 1 calc R . .
H19B H 0.0890 0.4820 0.9278 0.061 Uiso 1 1 calc R . .
C20 C -0.0683(3) 0.4931(4) 0.8212(3) 0.1010(17) Uani 1 1 d . . .
H20A H -0.0760 0.5730 0.8499 0.121 Uiso 1 1 calc R . .
H20B H -0.1049 0.4541 0.8503 0.121 Uiso 1 1 calc R . .
C21 C -0.1291(3) 0.4286(4) 0.6930(3) 0.0844(13) Uani 1 1 d . . .
H21A H -0.1580 0.4806 0.6621 0.101 Uiso 1 1 calc R . .
H21B H -0.1993 0.3641 0.6621 0.101 Uiso 1 1 calc R . .
C22 C -0.0387(3) 0.3831(3) 0.6589(2) 0.0517(7) Uani 1 1 d . . .
H22A H -0.0722 0.2991 0.6019 0.062 Uiso 1 1 calc R . .
H22B H -0.0154 0.4235 0.6236 0.062 Uiso 1 1 calc R . .
P1X P 0.4613(15) 0.2844(14) 1.0302(15) 0.029(4) Uiso 0.0362(14) 1 d P . 2
Si1X Si 0.6824(17) 0.3150(16) 1.2481(17) 0.034(5) Uiso 0.0362(14) 1 d P . 2
Si2X Si 0.4785(16) 0.4455(15) 1.2642(15) 0.028(4) Uiso 0.0362(14) 1 d P . 2
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'
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'
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'
O O 0.0106 0.0060 '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
_geom_angle_publ_flag
O1 K1 H1C 79.0(7) . . ?
O1 K1 H2A 73.2(6) . . ?
O1 K1 H2C 85.8(6) . . ?
O1 K1 C1 126.32(6) . 2_667 ?
H1C K1 H2A 125.6(9) . . ?
H1C K1 H2C 94.3(9) . . ?
H1C K1 C1 116.2(7) . 2_667 ?
H2A K1 H2C 38.8(8) . . ?
H2A K1 C1 118.0(6) . 2_667 ?
H2C K1 C1 137.8(6) . 2_667 ?
O1 K2 H1A 86.8(5) . . ?
O1 K2 H1B 71.8(6) . . ?
O1 K2 H2B 85.3(6) . . ?
O1 K2 H2C 81.9(5) . . ?
O1 K2 C10 130.53(6) . 2_556 ?
H1A K2 H1B 38.8(8) . . ?
H1A K2 H2B 106.3(8) . . ?
H1A K2 H2C 67.5(8) . . ?
H1A K2 C10 136.6(5) . 2_556 ?
H1B K2 H2B 137.1(8) . . ?
H1B K2 H2C 100.8(8) . . ?
H1B K2 C10 123.4(6) . 2_556 ?
H2B K2 H2C 38.9(8) . . ?
H2B K2 C10 99.1(6) . 2_556 ?
H2C K2 C10 129.9(5) . 2_556 ?
B1 P1 C1 118.78(13) . . ?
B1 P1 C2 101.95(13) . . ?
B1 P1 C3 106.82(14) . . ?
C1 P1 C2 112.78(11) . . ?
C1 P1 C3 112.68(12) . . ?
C2 P1 C3 102.04(13) . . ?
B2 P2 C10 119.42(12) . . ?
B2 P2 C11 103.93(13) . . ?
B2 P2 C12 105.01(14) . . ?
C10 P2 C11 112.27(12) . . ?
C10 P2 C12 112.48(12) . . ?
C11 P2 C12 101.94(14) . . ?
C1 Si1 C4 111.70(12) . . ?
C1 Si1 C5 114.13(13) . . ?
C1 Si1 C6 114.29(12) . . ?
C4 Si1 C5 103.60(16) . . ?
C4 Si1 C6 105.79(15) . . ?
C5 Si1 C6 106.45(15) . . ?
C1 Si2 C7 112.21(11) . . ?
C1 Si2 C8 114.86(12) . . ?
C1 Si2 C9 114.33(11) . . ?
C7 Si2 C8 106.55(13) . . ?
C7 Si2 C9 103.03(13) . . ?
C8 Si2 C9 104.82(14) . . ?
C10 Si3 C13 113.50(12) . . ?
C10 Si3 C14 113.19(12) . . ?
C10 Si3 C15 115.55(13) . . ?
C13 Si3 C14 106.55(14) . . ?
C13 Si3 C15 101.91(16) . . ?
C14 Si3 C15 105.04(16) . . ?
C10 Si4 C16 114.59(11) . . ?
C10 Si4 C17 115.58(12) . . ?
C10 Si4 C18 111.38(12) . . ?
C16 Si4 C17 105.87(14) . . ?
C16 Si4 C18 103.26(13) . . ?
C17 Si4 C18 105.01(15) . . ?
K1 O1 K2 89.02(5) . . ?
K1 O1 C19 111.62(15) . . ?
K1 O1 C22 123.44(15) . . ?
K2 O1 C19 118.25(17) . . ?
K2 O1 C22 107.04(17) . . ?
C19 O1 C22 107.2(2) . . ?
P1 B1 H1A 110.7(14) . . ?
P1 B1 H1B 101.7(15) . . ?
P1 B1 H1C 103.4(18) . . ?
H1A B1 H1B 117(2) . . ?
H1A B1 H1C 109(2) . . ?
H1B B1 H1C 113(2) . . ?
P2 B2 H2A 110.2(15) . . ?
P2 B2 H2B 107.7(14) . . ?
P2 B2 H2C 99.8(14) . . ?
H2A B2 H2B 111(2) . . ?
H2A B2 H2C 112(2) . . ?
H2B B2 H2C 115(2) . . ?
K1 C1 P1 106.02(9) 2_667 . ?
K1 C1 Si1 97.23(8) 2_667 . ?
K1 C1 Si2 99.14(8) 2_667 . ?
P1 C1 Si1 113.45(12) . . ?
P1 C1 Si2 119.02(12) . . ?
Si1 C1 Si2 117.19(12) . . ?
P2 C10 Si3 118.29(12) . . ?
P2 C10 Si4 115.31(12) . . ?
Si3 C10 Si4 116.54(12) . . ?
P2 C11 H11A 109.5 . . ?
P2 C11 H11B 109.5 . . ?
P2 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
P2 C12 H12A 109.5 . . ?
P2 C12 H12B 109.5 . . ?
P2 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
Si3 C13 H13A 109.5 . . ?
Si3 C13 H13B 109.5 . . ?
Si3 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
Si3 C14 H14A 109.5 . . ?
Si3 C14 H14B 109.5 . . ?
Si3 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
Si3 C15 H15A 109.5 . . ?
Si3 C15 H15B 109.5 . . ?
Si3 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
Si4 C16 H16A 109.5 . . ?
Si4 C16 H16B 109.5 . . ?
Si4 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
Si4 C17 H17A 109.5 . . ?
Si4 C17 H17B 109.5 . . ?
Si4 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
Si4 C18 H18A 109.5 . . ?
Si4 C18 H18B 109.5 . . ?
Si4 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
O1 C19 H19A 110.4 . . ?
O1 C19 H19B 110.4 . . ?
O1 C19 C20 106.8(2) . . ?
H19A C19 H19B 108.6 . . ?
H19A C19 C20 110.4 . . ?
H19B C19 C20 110.4 . . ?
C19 C20 H20A 110.3 . . ?
C19 C20 H20B 110.3 . . ?
C19 C20 C21 106.9(3) . . ?
H20A C20 H20B 108.6 . . ?
H20A C20 C21 110.3 . . ?
H20B C20 C21 110.3 . . ?
C20 C21 H21A 110.4 . . ?
C20 C21 H21B 110.4 . . ?
C20 C21 C22 106.8(3) . . ?
H21A C21 H21B 108.6 . . ?
H21A C21 C22 110.4 . . ?
H21B C21 C22 110.4 . . ?
O1 C22 C21 106.7(2) . . ?
O1 C22 H22A 110.4 . . ?
O1 C22 H22B 110.4 . . ?
C21 C22 H22A 110.4 . . ?
C21 C22 H22B 110.4 . . ?
H22A C22 H22B 108.6 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
K1 O1 2.8291(19) . ?
K1 H1C 2.73(3) . ?
K1 H2A 2.78(3) . ?
K1 H2C 2.76(3) . ?
K1 C1 2.998(2) 2_667 ?
K2 O1 2.8498(19) . ?
K2 H1A 2.75(3) . ?
K2 H1B 2.89(3) . ?
K2 H2B 2.68(3) . ?
K2 H2C 2.95(3) . ?
K2 C10 2.974(2) 2_556 ?
P1 B1 1.936(3) . ?
P1 C1 1.750(2) . ?
P1 C2 1.837(2) . ?
P1 C3 1.831(2) . ?
P2 B2 1.940(3) . ?
P2 C10 1.745(2) . ?
P2 C11 1.829(3) . ?
P2 C12 1.834(3) . ?
Si1 C1 1.848(2) . ?
Si1 C4 1.894(3) . ?
Si1 C5 1.891(3) . ?
Si1 C6 1.885(3) . ?
Si2 C1 1.843(2) . ?
Si2 C7 1.897(3) . ?
Si2 C8 1.885(3) . ?
Si2 C9 1.895(3) . ?
Si3 C10 1.842(2) . ?
Si3 C13 1.901(3) . ?
Si3 C14 1.886(3) . ?
Si3 C15 1.903(3) . ?
Si4 C10 1.853(2) . ?
Si4 C16 1.888(3) . ?
Si4 C17 1.885(3) . ?
Si4 C18 1.890(3) . ?
O1 C19 1.451(3) . ?
O1 C22 1.450(3) . ?
B1 H1A 1.03(3) . ?
B1 H1B 1.16(3) . ?
B1 H1C 1.05(3) . ?
B2 H2A 1.10(3) . ?
B2 H2B 1.12(3) . ?
B2 H2C 1.12(3) . ?
C1 K1 2.998(2) 2_667 ?
C2 H2D 0.980 . ?
C2 H2E 0.980 . ?
C2 H2F 0.980 . ?
C3 H3A 0.980 . ?
C3 H3B 0.980 . ?
C3 H3C 0.980 . ?
C4 H4A 0.980 . ?
C4 H4B 0.980 . ?
C4 H4C 0.980 . ?
C5 H5A 0.980 . ?
C5 H5B 0.980 . ?
C5 H5C 0.980 . ?
C6 H6A 0.980 . ?
C6 H6B 0.980 . ?
C6 H6C 0.980 . ?
C7 H7A 0.980 . ?
C7 H7B 0.980 . ?
C7 H7C 0.980 . ?
C8 H8A 0.980 . ?
C8 H8B 0.980 . ?
C8 H8C 0.980 . ?
C9 H9A 0.980 . ?
C9 H9B 0.980 . ?
C9 H9C 0.980 . ?
C10 K2 2.974(2) 2_556 ?
C11 H11A 0.980 . ?
C11 H11B 0.980 . ?
C11 H11C 0.980 . ?
C12 H12A 0.980 . ?
C12 H12B 0.980 . ?
C12 H12C 0.980 . ?
C13 H13A 0.980 . ?
C13 H13B 0.980 . ?
C13 H13C 0.980 . ?
C14 H14A 0.980 . ?
C14 H14B 0.980 . ?
C14 H14C 0.980 . ?
C15 H15A 0.980 . ?
C15 H15B 0.980 . ?
C15 H15C 0.980 . ?
C16 H16A 0.980 . ?
C16 H16B 0.980 . ?
C16 H16C 0.980 . ?
C17 H17A 0.980 . ?
C17 H17B 0.980 . ?
C17 H17C 0.980 . ?
C18 H18A 0.980 . ?
C18 H18B 0.980 . ?
C18 H18C 0.980 . ?
C19 H19A 0.990 . ?
C19 H19B 0.990 . ?
C19 C20 1.458(4) . ?
C20 H20A 0.990 . ?
C20 H20B 0.990 . ?
C20 C21 1.479(5) . ?
C21 H21A 0.990 . ?
C21 H21B 0.990 . ?
C21 C22 1.481(4) . ?
C22 H22A 0.990 . ?
C22 H22B 0.990 . ?
