#------------------------------------------------------------------------------
#$Date: 2016-03-21 09:15:41 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178620 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/31/4073187.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_4073187
loop_
_publ_author_name
'Izod, Keith'
'Wills, Corinne'
'Clegg, William'
'Harrington, Ross W.'
_publ_section_title
;
 Metalation of Trimethylphosphine−Borane. Unexpected Reactivity of
 a Simple Phosphine−Borane-Stabilized Carbanion toward Siloxanes
;
_journal_issue                   11
_journal_name_full               Organometallics
_journal_page_first              2861
_journal_paper_doi               10.1021/om070150j
_journal_volume                  26
_journal_year                    2007
_chemical_formula_moiety         'C72 H203 B8 Li16 O16 P8 Si8'
_chemical_formula_sum            'C72 H203 B8 Li16 O16 P8 Si8'
_chemical_formula_weight         1995.34
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           106
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'P 4c -2ab'
_symmetry_space_group_name_H-M   'P 42 b c'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.7951(6)
_cell_length_b                   19.7951(6)
_cell_length_c                   31.9497(18)
_cell_measurement_reflns_used    9407
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      28.5
_cell_measurement_theta_min      3.0
_cell_volume                     12519.4(9)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_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      120(2)
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'Bruker APEX2 CCD diffractometer'
_diffrn_measurement_method       'thin-slice ω scans'
_diffrn_radiation_monochromator  'silicon 111'
_diffrn_radiation_source         'Daresbury SRS station 9.8'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.6712
_diffrn_reflns_av_R_equivalents  0.0385
_diffrn_reflns_av_sigmaI/netI    0.0304
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       45
_diffrn_reflns_limit_l_min       -42
_diffrn_reflns_number            91233
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         28.68
_diffrn_reflns_theta_min         2.29
_diffrn_standards_decay_%        10
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.234
_exptl_absorpt_correction_T_max  0.977
_exptl_absorpt_correction_T_min  0.966
_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             4332
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.825
_refine_diff_density_min         -0.390
_refine_diff_density_rms         0.048
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.16(5)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     704
_refine_ls_number_reflns         18534
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.028
_refine_ls_R_factor_all          0.0449
_refine_ls_R_factor_gt           0.0393
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0670P)²+3.2020P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1058
_refine_ls_wR_factor_ref         0.1105
_reflns_number_gt                16921
_reflns_number_total             18534
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            om070150jsi20070219_080003.cif
_cod_data_source_block           ki229_compound_6
_cod_database_code               4073187
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z'
'-y, x, z+1/2'
'y, -x, z+1/2'
'x+1/2, -y+1/2, z'
'-x+1/2, y+1/2, z'
'-y+1/2, -x+1/2, z+1/2'
'y+1/2, x+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
_atom_site_disorder_assembly
_atom_site_disorder_group
Si1 Si 0.15055(2) -0.05211(2) -0.333598(15) 0.02129(9) Uani 1 1 d . . .
Si2 Si -0.01666(2) -0.15810(2) -0.221142(15) 0.02202(9) Uani 1 1 d . . .
P1 P 0.22262(2) -0.07960(2) -0.250692(17) 0.02698(9) Uani 1 1 d . . .
P2 P -0.01947(2) -0.23196(2) -0.305786(15) 0.02330(9) Uani 1 1 d . . .
Li1 Li 0.05660(17) -0.09153(17) -0.27654(11) 0.0304(7) Uani 1 1 d . . .
Li2 Li 0.08342(16) 0.05051(16) -0.27615(12) 0.0296(6) Uani 1 1 d . . .
Li3 Li 0.13148(17) -0.20424(16) -0.27773(12) 0.0310(6) Uani 1 1 d . . .
Li4 Li 0.0000 0.0000 -0.2088(2) 0.0384(13) Uani 1 2 d S . .
Li5 Li 0.0000 0.0000 -0.34340(18) 0.0306(11) Uani 1 2 d S . .
B1 B 0.17233(12) -0.00676(12) -0.22532(8) 0.0300(5) Uani 1 1 d . . .
H1C H 0.1975(13) 0.0062(12) -0.1960(9) 0.029(6) Uiso 1 1 d . . .
H1B H 0.1149(13) -0.0251(13) -0.2234(8) 0.033(6) Uiso 1 1 d . . .
H1A H 0.1759(14) 0.0339(14) -0.2487(9) 0.040(7) Uiso 1 1 d . . .
B2 B -0.06678(10) -0.15665(10) -0.33014(7) 0.0261(4) Uani 1 1 d . . .
H2C H -0.1062(12) -0.1397(12) -0.3068(8) 0.029(6) Uiso 1 1 d . . .
H2B H -0.0240(11) -0.1154(11) -0.3335(7) 0.023(5) Uiso 1 1 d . . .
H2A H -0.0870(12) -0.1723(12) -0.3611(7) 0.028(6) Uiso 1 1 d . . .
O1 O 0.08011(6) -0.02252(6) -0.31475(4) 0.0213(2) Uani 1 1 d . . .
O2 O -0.01566(6) -0.08078(6) -0.23832(4) 0.0224(2) Uani 1 1 d . . .
O3 O 0.0000 0.0000 -0.40360(8) 0.0304(4) Uani 1 2 d S . .
O4 O 0.18119(7) -0.28814(7) -0.27570(5) 0.0365(3) Uani 1 1 d . . .
O5 O 0.0000 0.0000 -0.14710(10) 0.0518(7) Uani 1 2 d S . .
C1 C 0.20841(10) 0.02009(9) -0.34625(7) 0.0304(4) Uani 1 1 d . . .
H1F H 0.2504 0.0026 -0.3583 0.055(9) Uiso 1 1 calc R . .
H1E H 0.2186 0.0453 -0.3206 0.055(9) Uiso 1 1 calc R . .
H1D H 0.1864 0.0501 -0.3665 0.038(7) Uiso 1 1 calc R . .
C2 C 0.13794(11) -0.09880(10) -0.38447(6) 0.0312(4) Uani 1 1 d . . .
H2F H 0.0987 -0.1288 -0.3820 0.052(8) Uiso 1 1 calc R . .
H2E H 0.1783 -0.1256 -0.3907 0.061(9) Uiso 1 1 calc R . .
H2D H 0.1302 -0.0662 -0.4071 0.058(9) Uiso 1 1 calc R . .
C3 C 0.18569(9) -0.11328(8) -0.29536(6) 0.0251(3) Uani 1 1 d . . .
H3 H 0.2256 -0.1319 -0.3107 0.030 Uiso 1 1 calc R . .
C4 C 0.30909(10) -0.05085(12) -0.25936(9) 0.0410(5) Uani 1 1 d . . .
H4C H 0.3092 -0.0150 -0.2805 0.043(8) Uiso 1 1 calc R . .
H4B H 0.3367 -0.0888 -0.2691 0.075(11) Uiso 1 1 calc R . .
H4A H 0.3277 -0.0334 -0.2331 0.051(8) Uiso 1 1 calc R . .
C5 C 0.23664(12) -0.14616(11) -0.21231(7) 0.0398(5) Uani 1 1 d . . .
H5C H 0.1931 -0.1622 -0.2017 0.046(8) Uiso 1 1 calc R . .
H5C H 0.2636 -0.1284 -0.1891 0.064(10) Uiso 1 1 calc R . .
H5A H 0.2608 -0.1837 -0.2255 0.047(8) Uiso 1 1 calc R . .
C6 C -0.10603(10) -0.18421(10) -0.20790(6) 0.0313(4) Uani 1 1 d . . .
H5C H -0.1252 -0.1523 -0.1877 0.047(8) Uiso 1 1 calc R . .
H6B H -0.1057 -0.2297 -0.1957 0.055(9) Uiso 1 1 calc R . .
H6A H -0.1335 -0.1842 -0.2334 0.039(7) Uiso 1 1 calc R . .
C7 C 0.03358(12) -0.16743(11) -0.17164(6) 0.0340(4) Uani 1 1 d . . .
H7A H 0.0134 -0.1395 -0.1496 0.051 Uiso 1 1 calc R . .
H7B H 0.0802 -0.1528 -0.1766 0.051 Uiso 1 1 calc R . .
H7C H 0.0334 -0.2149 -0.1629 0.051 Uiso 1 1 calc R . .
C8 C 0.02548(8) -0.21246(8) -0.26036(6) 0.0233(3) Uani 1 1 d . . .
H8 H 0.0251 -0.2571 -0.2457 0.028 Uiso 1 1 calc R . .
C9 C -0.07798(11) -0.30222(9) -0.29859(7) 0.0343(4) Uani 1 1 d . . .
H9C H -0.1110 -0.2906 -0.2769 0.042(7) Uiso 1 1 calc R . .
H9B H -0.0528 -0.3426 -0.2901 0.060(9) Uiso 1 1 calc R . .
H9A H -0.1016 -0.3112 -0.3250 0.034(6) Uiso 1 1 calc R . .
C10 C 0.03820(11) -0.26773(10) -0.34411(6) 0.0313(4) Uani 1 1 d . . .
H10C H 0.0634 -0.3051 -0.3314 0.044(7) Uiso 1 1 calc R . .
H10B H 0.0699 -0.2328 -0.3535 0.040(7) Uiso 1 1 calc R . .
H10A H 0.0124 -0.2846 -0.3681 0.060(10) Uiso 1 1 calc R . .
C11 C -0.03625(14) -0.04730(11) -0.42943(7) 0.0409(5) Uani 1 1 d . . .
H11A H -0.0834 -0.0521 -0.4196 0.049 Uiso 1 1 calc R . .
H11B H -0.0143 -0.0922 -0.4287 0.049 Uiso 1 1 calc R . .
C12 C -0.03442(15) -0.01823(15) -0.47317(8) 0.0499(6) Uani 1 1 d . . .
H12A H -0.0721 0.0138 -0.4779 0.060 Uiso 1 1 calc R . .
H12B H -0.0361 -0.0542 -0.4947 0.060 Uiso 1 1 calc R . .
C13 C 0.16136(14) -0.34870(12) -0.25451(11) 0.0513(6) Uani 1 1 d . . .
H13A H 0.1767 -0.3883 -0.2709 0.062 Uiso 1 1 calc R . .
H13B H 0.1115 -0.3504 -0.2529 0.062 Uiso 1 1 calc R . .
C14 C 0.18957(18) -0.3528(2) -0.21208(12) 0.0757(11) Uani 1 1 d . . .
H14A H 0.2389 -0.3562 -0.2137 0.114 Uiso 1 1 calc R . .
H14B H 0.1715 -0.3929 -0.1979 0.114 Uiso 1 1 calc R . .
H14C H 0.1771 -0.3123 -0.1963 0.114 Uiso 1 1 calc R . .
C15 C 0.24442(11) -0.29506(12) -0.29777(8) 0.0411(5) Uani 1 1 d . . .
H15A H 0.2675 -0.3367 -0.2883 0.049 Uiso 1 1 calc R . .
H15B H 0.2739 -0.2562 -0.2910 0.049 Uiso 1 1 calc R . .
C16 C 0.23445(15) -0.29828(16) -0.34359(9) 0.0551(7) Uani 1 1 d . . .
H16A H 0.2039 -0.3356 -0.3504 0.083 Uiso 1 1 calc R . .
H16B H 0.2781 -0.3056 -0.3574 0.083 Uiso 1 1 calc R . .
H16C H 0.2148 -0.2557 -0.3534 0.083 Uiso 1 1 calc R . .
C17 C -0.0599(3) -0.0210(3) -0.12498(16) 0.125(2) Uani 0.50 1 d P A 1
H17A H -0.0660 -0.0706 -0.1247 0.150 Uiso 0.50 1 calc PR A 1
H17B H -0.1014 0.0015 -0.1352 0.150 Uiso 0.50 1 calc PR A 1
C18 C -0.0353(3) 0.0070(3) -0.08336(15) 0.0569(14) Uani 0.50 1 d P . 1
H18A H -0.0437 0.0562 -0.0815 0.068 Uiso 0.50 1 calc PR . 1
H18B H -0.0580 -0.0158 -0.0596 0.068 Uiso 0.50 1 calc PR . 1
C17A C -0.0599(3) -0.0210(3) -0.12498(16) 0.125(2) Uani 0.50 1 d P A 2
H17C H -0.0822 -0.0530 -0.1444 0.150 Uiso 0.50 1 calc PR A 2
H17D H -0.0426 -0.0489 -0.1016 0.150 Uiso 0.50 1 calc PR A 2
C18A C -0.1105(4) 0.0134(5) -0.1083(2) 0.083(2) Uani 0.50 1 d P A 2
H18C H -0.1452 -0.0180 -0.0983 0.124 Uiso 0.50 1 calc PR A 2
H18D H -0.1299 0.0436 -0.1294 0.124 Uiso 0.50 1 calc PR A 2
H18E H -0.0937 0.0402 -0.0846 0.124 Uiso 0.50 1 calc PR A 2
Si3 Si 0.04706(2) -0.65224(2) 0.034072(15) 0.02302(9) Uani 1 1 d . . .
Si4 Si 0.15944(2) -0.48784(3) -0.077219(15) 0.02260(9) Uani 1 1 d . . .
P4 P 0.23381(2) -0.48702(2) 0.007227(15) 0.02463(9) Uani 1 1 d . . .
P3 P 0.07033(3) -0.72403(2) -0.049436(17) 0.03022(10) Uani 1 1 d . . .
Li6 Li 0.20013(17) -0.63732(18) -0.02128(12) 0.0328(7) Uani 1 1 d . . .
Li7 Li 0.08944(17) -0.56089(17) -0.02202(12) 0.0313(7) Uani 1 1 d . . .
Li8 Li -0.05483(17) -0.58037(17) -0.02173(11) 0.0302(6) Uani 1 1 d . . .
Li9 Li 0.0000 -0.5000 -0.08919(19) 0.0308(11) Uani 1 2 d S . .
Li10 Li 0.0000 -0.5000 0.04476(18) 0.0304(11) Uani 1 2 d S . .
B3 B -0.00166(13) -0.67178(12) -0.07374(9) 0.0344(5) Uani 1 1 d . . .
H3E H 0.0174(14) -0.6158(14) -0.0776(9) 0.042(7) Uiso 1 1 d . . .
H3D H -0.0479(14) -0.6677(14) -0.0486(9) 0.043(7) Uiso 1 1 d . . .
H3F H -0.0132(16) -0.7014(16) -0.1087(10) 0.048(8) Uiso 1 1 d . . .
B4 B 0.15946(10) -0.43816(11) 0.03171(7) 0.0270(4) Uani 1 1 d . . .
H4F H 0.1436(12) -0.3989(12) 0.0078(8) 0.029(6) Uiso 1 1 d . . .
H4E H 0.1261(16) -0.4751(16) 0.0387(9) 0.050(8) Uiso 1 1 d . . .
H4D H 0.1722(15) -0.4202(16) 0.0632(9) 0.048(8) Uiso 1 1 d . . .
O6 O 0.01918(6) -0.58037(6) 0.01607(4) 0.0223(2) Uani 1 1 d . . .
O7 O 0.08205(6) -0.48773(7) -0.05997(4) 0.0227(2) Uani 1 1 d . . .
O8 O 0.0000 -0.5000 -0.15006(8) 0.0368(5) Uani 1 2 d S . .
O9 O 0.28109(8) -0.69020(9) -0.02099(6) 0.0429(4) Uani 1 1 d . . .
O10 O 0.0000 -0.5000 0.10565(8) 0.0333(5) Uani 1 2 d S . .
C19 C 0.13514(14) -0.73934(13) -0.08890(8) 0.0465(5) Uani 1 1 d . . .
H19C H 0.1717 -0.7663 -0.0766 0.061(9) Uiso 1 1 calc R . .
H19B H 0.1532 -0.6961 -0.0987 0.063(10) Uiso 1 1 calc R . .
H19A H 0.1153 -0.7639 -0.1125 0.053(8) Uiso 1 1 calc R . .
C20 C 0.04056(14) -0.81027(11) -0.04017(9) 0.0446(5) Uani 1 1 d . . .
H20C H 0.0035 -0.8095 -0.0198 0.047(8) Uiso 1 1 calc R . .
H20B H 0.0778 -0.8377 -0.0292 0.053(9) Uiso 1 1 calc R . .
H20A H 0.0244 -0.8298 -0.0665 0.105(16) Uiso 1 1 calc R . .
C21 C 0.10652(9) -0.68808(9) -0.00488(6) 0.0277(3) Uani 1 1 d . . .
H21 H 0.1236 -0.7289 0.0102 0.033 Uiso 1 1 calc R . .
C22 C 0.09552(10) -0.64149(11) 0.08433(6) 0.0317(4) Uani 1 1 d . . .
H22C H 0.0639 -0.6324 0.1073 0.037(7) Uiso 1 1 calc R . .
H22B H 0.1270 -0.6036 0.0815 0.035(7) Uiso 1 1 calc R . .
H22A H 0.1208 -0.6829 0.0904 0.045(8) Uiso 1 1 calc R . .
C23 C -0.02648(10) -0.70888(10) 0.04736(7) 0.0333(4) Uani 1 1 d . . .
H23C H -0.0536 -0.6879 0.0695 0.032(6) Uiso 1 1 calc R . .
H23B H -0.0096 -0.7527 0.0571 0.038(7) Uiso 1 1 calc R . .
H23A H -0.0545 -0.7155 0.0224 0.043(7) Uiso 1 1 calc R . .
C24 C 0.30496(10) -0.42959(12) -0.00047(7) 0.0364(4) Uani 1 1 d . . .
H24C H 0.2926 -0.3949 -0.0210 0.041(7) Uiso 1 1 calc R . .
H24B H 0.3440 -0.4551 -0.0108 0.060(10) Uiso 1 1 calc R . .
H24A H 0.3164 -0.4080 0.0262 0.058(9) Uiso 1 1 calc R . .
C25 C 0.26917(10) -0.54515(11) 0.04566(7) 0.0331(4) Uani 1 1 d . . .
H25C H 0.2821 -0.5200 0.0708 0.047(8) Uiso 1 1 calc R . .
H25B H 0.3091 -0.5674 0.0338 0.068(10) Uiso 1 1 calc R . .
H25A H 0.2353 -0.5793 0.0530 0.053(8) Uiso 1 1 calc R . .
C26 C 0.21295(8) -0.53140(9) -0.03806(6) 0.0252(3) Uani 1 1 d . . .
H26 H 0.2574 -0.5326 -0.0529 0.030 Uiso 1 1 calc R . .
C27 C 0.16920(11) -0.53681(12) -0.12719(6) 0.0332(4) Uani 1 1 d . . .
H27C H 0.1478 -0.5812 -0.1241 0.042(7) Uiso 1 1 calc R . .
H27B H 0.2173 -0.5427 -0.1334 0.101(14) Uiso 1 1 calc R . .
H27A H 0.1475 -0.5121 -0.1501 0.066(9) Uiso 1 1 calc R . .
C28 C 0.18633(10) -0.39903(10) -0.09025(6) 0.0322(4) Uani 1 1 d . . .
H28C H 0.1543 -0.3793 -0.1102 0.045(8) Uiso 1 1 calc R . .
H28B H 0.2316 -0.3998 -0.1027 0.052(8) Uiso 1 1 calc R . .
H28A H 0.1871 -0.3718 -0.0646 0.057(9) Uiso 1 1 calc R . .
C29 C 0.02317(18) -0.44319(16) -0.17400(9) 0.0587(8) Uani 1 1 d . . .
H29A H 0.0521 -0.4156 -0.1554 0.070 Uiso 1 1 calc R . .
H29B H 0.0527 -0.4609 -0.1964 0.070 Uiso 1 1 calc R . .
C30 C -0.0240(2) -0.3988(3) -0.19310(16) 0.0994(16) Uani 1 1 d . . .
H30A H -0.0501 -0.4236 -0.2142 0.149 Uiso 1 1 calc R . .
H30B H 0.0002 -0.3615 -0.2066 0.149 Uiso 1 1 calc R . .
H30C H -0.0546 -0.3808 -0.1718 0.149 Uiso 1 1 calc R . .
C31 C 0.34023(15) -0.6734(2) -0.04417(15) 0.0848(14) Uani 1 1 d . . .
H31A H 0.3800 -0.6952 -0.0311 0.102 Uiso 1 1 calc R . .
H31B H 0.3472 -0.6239 -0.0433 0.102 Uiso 1 1 calc R . .
C32 C 0.3345(3) -0.6950(2) -0.08672(15) 0.116(2) Uani 1 1 d . . .
H32A H 0.3753 -0.6819 -0.1021 0.139 Uiso 1 1 calc R . .
H32B H 0.2950 -0.6737 -0.0996 0.139 Uiso 1 1 calc R . .
H32C H 0.3295 -0.7442 -0.0876 0.139 Uiso 1 1 calc R . .
C33 C 0.28487(16) -0.75262(13) 0.00091(10) 0.0536(6) Uani 1 1 d . . .
H33A H 0.3268 -0.7764 -0.0074 0.064 Uiso 1 1 calc R . .
H33B H 0.2461 -0.7813 -0.0074 0.064 Uiso 1 1 calc R . .
C34 C 0.2844(2) -0.74450(16) 0.04611(10) 0.0660(9) Uani 1 1 d . . .
H34A H 0.3218 -0.7151 0.0545 0.099 Uiso 1 1 calc R . .
H34B H 0.2895 -0.7888 0.0595 0.099 Uiso 1 1 calc R . .
H34C H 0.2415 -0.7242 0.0548 0.099 Uiso 1 1 calc R . .
C35 C 0.04830(12) -0.46602(15) 0.13094(8) 0.0442(5) Uani 1 1 d . . .
H35A H 0.0543 -0.4189 0.1213 0.053 Uiso 1 1 calc R . .
H35B H 0.0925 -0.4893 0.1297 0.053 Uiso 1 1 calc R . .
C36 C 0.02030(15) -0.46754(16) 0.17509(8) 0.0518(6) Uani 1 1 d . . .
H36A H 0.0570 -0.4690 0.1961 0.062 Uiso 1 1 calc R . .
H36B H -0.0088 -0.4279 0.1806 0.062 Uiso 1 1 calc R . .
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'
Li Li -0.0003 0.0001 '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'
P P 0.1023 0.0942 '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'
Si Si 0.0817 0.0704 '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
O1 Si1 C1 109.18(8) . .
O1 Si1 C2 112.44(8) . .
O1 Si1 C3 108.21(7) . .
C1 Si1 C2 105.56(9) . .
C1 Si1 C3 114.22(9) . .
C2 Si1 C3 107.30(8) . .
O2 Si2 C6 110.13(8) . .
O2 Si2 C7 111.74(8) . .
O2 Si2 C8 108.27(7) . .
C6 Si2 C7 106.28(10) . .
C6 Si2 C8 114.48(9) . .
C7 Si2 C8 105.93(9) . .
B1 P1 C3 114.50(9) . .
B1 P1 C4 108.33(10) . .
B1 P1 C5 109.65(12) . .
C3 P1 C4 112.95(11) . .
C3 P1 C5 109.86(9) . .
C4 P1 C5 100.65(12) . .
B2 P2 C8 114.39(8) . .
B2 P2 C9 109.41(9) . .
B2 P2 C10 109.57(10) . .
C8 P2 C9 112.79(9) . .
C8 P2 C10 109.03(9) . .
C9 P2 C10 100.76(10) . .
O1 Li1 O2 121.43(18) . .
O1 Li1 C3 74.60(12) . .
O1 Li1 C8 151.3(2) . .
O2 Li1 C3 152.86(19) . .
O2 Li1 C8 77.89(13) . .
C3 Li1 C8 97.31(12) . .
H1A Li2 B2 119.9(8) . 2
H1A Li2 O1 100.7(8) . .
H1A Li2 O2 114.0(8) . 2
O1 Li2 O2 128.86(18) . 2
O4 Li3 C3 118.05(18) . .
O4 Li3 C8 114.72(17) . .
C3 Li3 C8 127.22(16) . .
O2 Li4 O2 119.9(3) . 2
O2 Li4 O5 120.04(17) . .
O2 Li4 O5 120.04(17) 2 .
O1 Li5 O1 121.9(3) . 2
O1 Li5 O3 119.05(15) . .
O1 Li5 O3 119.05(15) 2 .
P1 B1 H1C 107.5(13) . .
P1 B1 H1B 106.6(13) . .
P1 B1 H1A 103.2(15) . .
H1C B1 H1B 117.5(19) . .
H1C B1 H1A 112(2) . .
H1B B1 H1A 109(2) . .
P2 B2 H2C 107.4(12) . .
P2 B2 H2B 102.9(11) . .
P2 B2 H2A 108.6(13) . .
H2C B2 H2B 110.4(16) . .
H2C B2 H2A 115.0(18) . .
H2B B2 H2A 111.7(17) . .
Si1 O1 Li1 100.93(11) . .
Si1 O1 Li2 118.96(12) . .
Si1 O1 Li5 128.78(17) . .
Li1 O1 Li2 97.99(17) . .
Li1 O1 Li5 106.10(15) . .
Li2 O1 Li5 99.44(15) . .
Si2 O2 Li1 96.95(12) . .
Si2 O2 Li2 120.15(12) . 2
Si2 O2 Li4 129.28(18) . .
Li1 O2 Li2 99.10(17) . 2
Li1 O2 Li4 107.10(16) . .
Li2 O2 Li4 99.59(16) 2 .
Li5 O3 C11 124.98(12) . .
Li5 O3 C11 124.98(12) . 2
C11 O3 C11 110.0(2) . 2
Li3 O4 C13 126.60(18) . .
Li3 O4 C15 120.47(17) . .
C13 O4 C15 112.91(17) . .
Li4 O5 C17 119.3(3) . .
Li4 O5 C17 119.3(3) . 2
Li4 O5 C17A 119.3(3) . 2
C17 O5 C17 121.3(6) . 2
C17 O5 C17A 0.0(5) 2 2
C17 O5 C17A 121.3(6) . 2
Si1 C1 H1F 109.5 . .
Si1 C1 H1E 109.5 . .
Si1 C1 H1D 109.5 . .
H1F C1 H1E 109.5 . .
H1F C1 H1D 109.5 . .
H1E C1 H1D 109.5 . .
Si1 C2 H2F 109.5 . .
Si1 C2 H2E 109.5 . .
Si1 C2 H2D 109.5 . .
H2F C2 H2E 109.5 . .
H2F C2 H2D 109.5 . .
H2E C2 H2D 109.5 . .
Si1 C3 P1 116.65(9) . .
Si1 C3 Li1 71.52(9) . .
Si1 C3 Li3 121.79(13) . .
Si1 C3 H3 102.3 . .
P1 C3 Li1 99.01(11) . .
P1 C3 Li3 108.26(14) . .
P1 C3 H3 102.3 . .
Li1 C3 Li3 66.47(12) . .
Li1 C3 H3 158.3 . .
Li3 C3 H3 102.3 . .
P1 C4 H4C 109.5 . .
P1 C4 H4B 109.5 . .
P1 C4 H4A 109.5 . .
H4C C4 H4B 109.5 . .
H4C C4 H4A 109.5 . .
H4B C4 H4A 109.5 . .
P1 C5 H5C 109.5 . .
P1 C5 H5C 109.5 . .
P1 C5 H5A 109.5 . .
H5C C5 H5C 109.5 . .
H5C C5 H5A 109.5 . .
H5C C5 H5A 109.5 . .
Si2 C6 H5C 109.5 . .
Si2 C6 H6B 109.5 . .
Si2 C6 H6A 109.5 . .
H5C C6 H6B 109.5 . .
H5C C6 H6A 109.5 . .
H6B C6 H6A 109.5 . .
Si2 C7 H7A 109.5 . .
Si2 C7 H7B 109.5 . .
Si2 C7 H7C 109.5 . .
H7A C7 H7B 109.5 . .
H7A C7 H7C 109.5 . .
H7B C7 H7C 109.5 . .
Si2 C8 P2 117.50(9) . .
Si2 C8 Li1 72.38(9) . .
Si2 C8 Li3 124.32(13) . .
Si2 C8 H8 101.1 . .
P2 C8 Li1 99.42(11) . .
P2 C8 Li3 107.21(13) . .
P2 C8 H8 101.1 . .
Li1 C8 Li3 69.01(12) . .
Li1 C8 H8 159.2 . .
Li3 C8 H8 101.1 . .
P2 C9 H9C 109.5 . .
P2 C9 H9B 109.5 . .
P2 C9 H9A 109.5 . .
H9C C9 H9B 109.5 . .
H9C C9 H9A 109.5 . .
H9B C9 H9A 109.5 . .
P2 C10 H10C 109.5 . .
P2 C10 H10B 109.5 . .
P2 C10 H10A 109.5 . .
H10C C10 H10B 109.5 . .
H10C C10 H10A 109.5 . .
H10B C10 H10A 109.5 . .
O3 C11 H11A 110.6 . .
O3 C11 H11B 110.6 . .
O3 C11 C12 105.7(2) . .
H11A C11 H11B 108.7 . .
H11A C11 C12 110.6 . .
H11B C11 C12 110.6 . .
C11 C12 C12 101.50(17) . 2
C11 C12 H12A 111.5 . .
C11 C12 H12B 111.5 . .
C12 C12 H12A 111.5 2 .
C12 C12 H12B 111.5 2 .
H12A C12 H12B 109.3 . .
O4 C13 H13A 109.1 . .
O4 C13 H13B 109.2 . .
O4 C13 C14 112.3(3) . .
H13A C13 H13B 107.9 . .
H13A C13 C14 109.2 . .
H13B C13 C14 109.2 . .
C13 C14 H14A 109.5 . .
C13 C14 H14B 109.5 . .
C13 C14 H14C 109.5 . .
H14A C14 H14B 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
O4 C15 H15A 109.2 . .
O4 C15 H15B 109.2 . .
O4 C15 C16 111.9(2) . .
H15A C15 H15B 107.9 . .
H15A C15 C16 109.2 . .
H15B C15 C16 109.2 . .
C15 C16 H16A 109.5 . .
C15 C16 H16B 109.5 . .
C15 C16 H16C 109.5 . .
H16A C16 H16B 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
O5 C17 H17A 113.0 . .
O5 C17 H17B 113.0 . .
O5 C17 C18 93.4(5) . .
H17A C17 H17B 110.4 . .
H17A C17 C18 113.0 . .
H17B C17 C18 113.0 . .
C17 C18 C18 104.1(4) . 2
C17 C18 H18A 110.9 . .
C17 C18 H18B 110.9 . .
C18 C18 H18A 110.9 2 .
C18 C18 H18B 110.9 2 .
H18A C18 H18B 109.0 . .
H18C C18A H18D 109.5 . .
H18C C18A H18E 109.5 . .
H18D C18A H18E 109.5 . .
O6 Si3 C21 108.17(8) . .
O6 Si3 C22 112.00(8) . .
O6 Si3 C23 109.69(8) . .
C21 Si3 C22 107.00(9) . .
C21 Si3 C23 114.44(9) . .
C22 Si3 C23 105.58(10) . .
O7 Si4 C26 108.06(7) . .
O7 Si4 C27 112.67(8) . .
O7 Si4 C28 109.85(8) . .
C26 Si4 C27 105.97(9) . .
C26 Si4 C28 114.97(9) . .
C27 Si4 C28 105.36(10) . .
B4 P4 C24 109.34(10) . .
B4 P4 C25 109.67(10) . .
B4 P4 C26 114.15(9) . .
C24 P4 C25 100.81(10) . .
C24 P4 C26 112.63(10) . .
C25 P4 C26 109.40(10) . .
B3 P3 C19 109.34(13) . .
B3 P3 C20 109.16(12) . .
B3 P3 C21 114.45(10) . .
C19 P3 C20 100.56(12) . .
C19 P3 C21 110.05(11) . .
C20 P3 C21 112.37(11) . .
O9 Li6 C21 117.39(18) . .
O9 Li6 C26 115.47(18) . .
C21 Li6 C26 127.14(17) . .
O6 Li7 O7 120.79(18) . .
O6 Li7 C21 76.24(12) . .
O6 Li7 C26 151.3(2) . .
O7 Li7 C21 152.3(2) . .
O7 Li7 C26 76.81(12) . .
C21 Li7 C26 97.96(13) . .
H3D Li8 B4 117.0(8) . 2_545
H3D Li8 O6 103.2(9) . .
H3D Li8 O7 111.7(9) . 2_545
B4 Li8 O6 100.90(16) 2_545 .
B4 Li8 O7 95.31(14) 2_545 2_545
O6 Li8 O7 128.95(19) . 2_545
O7 Li9 O7 120.8(3) . 2_545
O7 Li9 O8 119.62(16) . .
O7 Li9 O8 119.62(16) 2_545 .
O6 Li10 O6 121.5(3) . 2_545
O6 Li10 O10 119.26(16) . .
O6 Li10 O10 119.26(16) 2_545 .
P3 B3 H3E 108.1(14) . .
P3 B3 H3D 109.0(14) . .
P3 B3 H3F 103.8(14) . .
H3E B3 H3D 104(2) . .
H3E B3 H3F 113(2) . .
H3D B3 H3F 118.0(19) . .
P4 B4 H4F 106.4(12) . .
P4 B4 H4E 103.1(18) . .
P4 B4 H4D 111.1(16) . .
H4F B4 H4E 118(2) . .
H4F B4 H4D 117(2) . .
H4E B4 H4D 100(2) . .
Si3 O6 Li7 99.00(12) . .
Si3 O6 Li8 119.04(12) . .
Si3 O6 Li10 129.52(17) . .
Li7 O6 Li8 99.11(17) . .
Li7 O6 Li10 106.91(16) . .
Li8 O6 Li10 98.90(16) . .
Si4 O7 Li7 98.22(12) . .
Si4 O7 Li8 119.09(12) . 2_545
Si4 O7 Li9 129.90(18) . .
Li7 O7 Li8 98.80(17) . 2_545
Li7 O7 Li9 106.52(16) . .
Li8 O7 Li9 99.53(16) 2_545 .
Li9 O8 C29 122.20(15) . .
Li9 O8 C29 122.20(15) . 2_545
C29 O8 C29 115.6(3) . 2_545
Li6 O9 C31 123.9(2) . .
Li6 O9 C33 121.44(19) . .
C31 O9 C33 114.6(2) . .
Li10 O10 C35 124.66(13) . .
Li10 O10 C35 124.66(13) . 2_545
C35 O10 C35 110.7(3) . 2_545
P3 C19 H19C 109.5 . .
P3 C19 H19B 109.5 . .
P3 C19 H19A 109.5 . .
H19C C19 H19B 109.5 . .
H19C C19 H19A 109.5 . .
H19B C19 H19A 109.5 . .
P3 C20 H20C 109.5 . .
P3 C20 H20B 109.5 . .
P3 C20 H20A 109.5 . .
H20C C20 H20B 109.5 . .
H20C C20 H20A 109.5 . .
H20B C20 H20A 109.5 . .
Si3 C21 P3 116.29(10) . .
Si3 C21 Li6 121.77(14) . .
Si3 C21 Li7 71.83(10) . .
Si3 C21 H21 101.6 . .
P3 C21 Li6 110.01(14) . .
P3 C21 Li7 99.78(12) . .
P3 C21 H21 101.6 . .
Li6 C21 Li7 67.17(13) . .
Li6 C21 H21 101.6 . .
Li7 C21 H21 158.3 . .
Si3 C22 H22C 109.5 . .
Si3 C22 H22B 109.5 . .
Si3 C22 H22A 109.5 . .
H22C C22 H22B 109.5 . .
H22C C22 H22A 109.5 . .
H22B C22 H22A 109.5 . .
Si3 C23 H23C 109.5 . .
Si3 C23 H23B 109.5 . .
Si3 C23 H23A 109.5 . .
H23C C23 H23B 109.5 . .
H23C C23 H23A 109.5 . .
H23B C23 H23A 109.5 . .
P4 C24 H24C 109.5 . .
P4 C24 H24B 109.5 . .
P4 C24 H24A 109.5 . .
H24C C24 H24B 109.5 . .
H24C C24 H24A 109.5 . .
H24B C24 H24A 109.5 . .
P4 C25 H25C 109.5 . .
P4 C25 H25B 109.5 . .
P4 C25 H25A 109.5 . .
H25C C25 H25B 109.5 . .
H25C C25 H25A 109.5 . .
H25B C25 H25A 109.5 . .
Si4 C26 P4 117.51(10) . .
Si4 C26 Li6 123.20(13) . .
Si4 C26 Li7 72.29(10) . .
Si4 C26 H26 101.3 . .
P4 C26 Li6 107.97(13) . .
P4 C26 Li7 100.07(11) . .
P4 C26 H26 101.3 . .
Li6 C26 Li7 67.72(13) . .
Li6 C26 H26 101.3 . .
Li7 C26 H26 158.2 . .
Si4 C27 H27C 109.5 . .
Si4 C27 H27B 109.5 . .
Si4 C27 H27A 109.5 . .
H27C C27 H27B 109.5 . .
H27C C27 H27A 109.5 . .
H27B C27 H27A 109.5 . .
Si4 C28 H28C 109.5 . .
Si4 C28 H28B 109.5 . .
Si4 C28 H28A 109.5 . .
H28C C28 H28B 109.5 . .
H28C C28 H28A 109.5 . .
H28B C28 H28A 109.5 . .
O8 C29 H29A 107.3 . .
O8 C29 H29B 107.3 . .
O8 C29 C30 120.2(3) . .
H29A C29 H29B 106.9 . .
H29A C29 C30 107.3 . .
H29B C29 C30 107.3 . .
C29 C30 H30A 109.5 . .
C29 C30 H30B 109.5 . .
C29 C30 H30C 109.5 . .
H30A C30 H30B 109.5 . .
H30A C30 H30C 109.5 . .
H30B C30 H30C 109.5 . .
O9 C31 H31A 109.4 . .
O9 C31 H31B 109.4 . .
O9 C31 C32 111.1(4) . .
H31A C31 H31B 108.0 . .
H31A C31 C32 109.4 . .
H31B C31 C32 109.4 . .
C31 C32 H32A 109.5 . .
C31 C32 H32B 109.5 . .
C31 C32 H32C 109.5 . .
H32A C32 H32B 109.5 . .
H32A C32 H32C 109.5 . .
H32B C32 H32C 109.5 . .
O9 C33 H33A 109.0 . .
O9 C33 H33B 109.0 . .
O9 C33 C34 113.1(2) . .
H33A C33 H33B 107.8 . .
H33A C33 C34 109.0 . .
H33B C33 C34 109.0 . .
C33 C34 H34A 109.5 . .
C33 C34 H34B 109.5 . .
C33 C34 H34C 109.5 . .
H34A C34 H34B 109.5 . .
H34A C34 H34C 109.5 . .
H34B C34 H34C 109.5 . .
O10 C35 H35A 110.6 . .
O10 C35 H35B 110.6 . .
O10 C35 C36 105.9(2) . .
H35A C35 H35B 108.7 . .
H35A C35 C36 110.6 . .
H35B C35 C36 110.6 . .
C35 C36 C36 102.16(17) . 2_545
C35 C36 H36A 111.3 . .
C35 C36 H36B 111.3 . .
C36 C36 H36A 111.3 2_545 .
C36 C36 H36B 111.3 2_545 .
H36A C36 H36B 109.2 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Si1 O1 1.6277(12) .
Si1 C1 1.8757(19) .
Si1 C2 1.886(2) .
Si1 C3 1.8555(19) .
Si2 O2 1.6262(13) .
Si2 C6 1.891(2) .
Si2 C7 1.877(2) .
Si2 C8 1.8503(18) .
P1 B1 1.931(2) .
P1 C3 1.7364(19) .
P1 C4 1.825(2) .
P1 C5 1.821(2) .
P2 B2 1.925(2) .
P2 C8 1.7456(18) .
P2 C9 1.8245(19) .
P2 C10 1.818(2) .
Li1 O1 1.890(4) .
Li1 O2 1.893(4) .
Li1 C3 2.660(4) .
Li1 C8 2.525(4) .
Li2 H1A 2.06(3) .
Li2 O1 1.901(3) .
Li2 O2 1.902(4) 2
Li3 O4 1.932(3) .
Li3 C3 2.170(4) .
Li3 C8 2.177(4) .
Li4 O2 1.881(3) .
Li4 O2 1.881(3) 2
Li4 O5 1.973(7) .
Li5 O1 1.884(3) .
Li5 O1 1.884(3) 2
Li5 O3 1.924(6) .
B1 H1C 1.09(3) .
B1 H1B 1.20(3) .
B1 H1A 1.10(3) .
B2 H2C 1.13(2) .
B2 H2B 1.18(2) .
B2 H2A 1.11(2) .
O2 Li2 1.902(4) 2
O3 C11 1.440(3) .
O3 C11 1.440(3) 2
O4 C13 1.432(3) .
O4 C15 1.443(3) .
O5 C17 1.442(5) .
O5 C17 1.442(5) 2
O5 C17A 1.442(5) 2
C1 H1F 0.980 .
C1 H1E 0.980 .
C1 H1D 0.980 .
C2 H2F 0.980 .
C2 H2E 0.980 .
C2 H2D 0.980 .
C3 H3 1.000 .
C4 H4C 0.980 .
C4 H4B 0.980 .
C4 H4A 0.980 .
C5 H5C 0.980 .
C5 H5C 0.980 .
C5 H5A 0.980 .
C6 H5C 0.980 .
C6 H6B 0.980 .
C6 H6A 0.980 .
C7 H7A 0.980 .
C7 H7B 0.980 .
C7 H7C 0.980 .
C8 H8 1.000 .
C9 H9C 0.980 .
C9 H9B 0.980 .
C9 H9A 0.980 .
C10 H10C 0.980 .
C10 H10B 0.980 .
C10 H10A 0.980 .
C11 H11A 0.990 .
C11 H11B 0.990 .
C11 C12 1.512(4) .
C12 C12 1.542(6) 2
C12 H12A 0.990 .
C12 H12B 0.990 .
C13 H13A 0.990 .
C13 H13B 0.990 .
C13 C14 1.468(5) .
C14 H14A 0.980 .
C14 H14B 0.980 .
C14 H14C 0.980 .
C15 H15A 0.990 .
C15 H15B 0.990 .
C15 C16 1.478(4) .
C16 H16A 0.980 .
C16 H16B 0.980 .
C16 H16C 0.980 .
C17 H17A 0.990 .
C17 H17B 0.990 .
C17 C18 1.521(9) .
C18 C18 1.423(13) 2
C18 H18A 0.990 .
C18 H18B 0.990 .
C18A H18C 0.980 .
C18A H18D 0.980 .
C18A H18E 0.980 .
Si3 O6 1.6307(13) .
Si3 C21 1.8542(19) .
Si3 C22 1.883(2) .
Si3 C23 1.886(2) .
Si4 O7 1.6281(13) .
Si4 C26 1.8523(18) .
Si4 C27 1.878(2) .
Si4 C28 1.883(2) .
P4 B4 1.927(2) .
P4 C24 1.827(2) .
P4 C25 1.823(2) .
P4 C26 1.7423(19) .
P3 B3 1.924(2) .
P3 C19 1.824(3) .
P3 C20 1.830(2) .
P3 C21 1.745(2) .
Li6 O9 1.914(4) .
Li6 C21 2.172(4) .
Li6 C26 2.179(4) .
Li7 O6 1.888(4) .
Li7 O7 1.894(4) .
Li7 C21 2.599(4) .
Li7 C26 2.565(4) .
Li8 H3D 1.93(3) .
Li8 O6 1.899(4) .
Li8 O7 1.897(4) 2_545
Li9 O7 1.889(3) .
Li9 O7 1.889(3) 2_545
Li9 O8 1.945(7) .
Li10 O6 1.875(3) .
Li10 O6 1.875(3) 2_545
Li10 O10 1.945(6) .
B3 H3E 1.18(3) .
B3 H3D 1.22(3) .
B3 H3F 1.28(3) .
B4 H4F 1.13(2) .
B4 H4E 1.01(3) .
B4 H4D 1.10(3) .
O7 Li8 1.897(4) 2_545
O8 C29 1.435(3) .
O8 C29 1.435(3) 2_545
O9 C31 1.425(3) .
O9 C33 1.422(3) .
O10 C35 1.421(3) .
O10 C35 1.421(3) 2_545
C19 H19C 0.980 .
C19 H19B 0.980 .
C19 H19A 0.980 .
C20 H20C 0.980 .
C20 H20B 0.980 .
C20 H20A 0.980 .
C21 H21 1.000 .
C22 H22C 0.980 .
C22 H22B 0.980 .
C22 H22A 0.980 .
C23 H23C 0.980 .
C23 H23B 0.980 .
C23 H23A 0.980 .
C24 H24C 0.980 .
C24 H24B 0.980 .
C24 H24A 0.980 .
C25 H25C 0.980 .
C25 H25B 0.980 .
C25 H25A 0.980 .
C26 H26 1.000 .
C27 H27C 0.980 .
C27 H27B 0.980 .
C27 H27A 0.980 .
C28 H28C 0.980 .
C28 H28B 0.980 .
C28 H28A 0.980 .
C29 H29A 0.990 .
C29 H29B 0.990 .
C29 C30 1.420(5) .
C30 H30A 0.980 .
C30 H30B 0.980 .
C30 H30C 0.980 .
C31 H31A 0.990 .
C31 H31B 0.990 .
C31 C32 1.430(7) .
C32 H32A 0.980 .
C32 H32B 0.980 .
C32 H32C 0.980 .
C33 H33A 0.990 .
C33 H33B 0.990 .
C33 C34 1.453(4) .
C34 H34A 0.980 .
C34 H34B 0.980 .
C34 H34C 0.980 .
C35 H35A 0.990 .
C35 H35B 0.990 .
C35 C36 1.516(4) .
C36 C36 1.516(6) 2_545
C36 H36A 0.990 .
C36 H36B 0.990 .
