#------------------------------------------------------------------------------
#$Date: 2016-03-23 15:24:39 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179326 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/23/4322353.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_4322353
loop_
_publ_author_name
'Tuqiang Chen'
'Eileen N. Duesler'
'Robert T. Paine'
'Heinrich Nöth'
_publ_section_title
;
 Synthesis and Chemistry of Bis(borylphosphino)silanes and -germanes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4993
_journal_page_last               4999
_journal_paper_doi               10.1021/ic990507e
_journal_volume                  38
_journal_year                    1999
_chemical_formula_sum            'C44 H86 B2 Li2 N4 O4 P2 Si'
_chemical_formula_weight         860.70
_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   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                91.31(3)
_cell_angle_beta                 101.23(3)
_cell_angle_gamma                109.95(3)
_cell_formula_units_Z            2
_cell_length_a                   11.071(2)
_cell_length_b                   14.937(3)
_cell_length_c                   18.080(4)
_cell_measurement_reflns_used    41
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      12.47
_cell_measurement_theta_min      4.74
_cell_volume                     2743.7(12)
_computing_cell_refinement       'XSCANS V2.2 (Siemens, 1994)'
_computing_data_collection       'XSCANS V2.2 (Siemens, 1994)'
_computing_data_reduction        'XSCANS V2.2 (Siemens, 1994)'
_computing_molecular_graphics    'SHELXTL V5.0 (Siemens, 1994)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full .997
_diffrn_measured_fraction_theta_max .997
_diffrn_measurement_device_type  'Siemens P4'
_diffrn_measurement_method       'profile data from ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0490
_diffrn_reflns_av_sigmaI/netI    0.1205
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            14324
_diffrn_reflns_theta_full        22.50
_diffrn_reflns_theta_max         22.50
_diffrn_reflns_theta_min         1.77
_diffrn_standards_decay_%        0.0
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.140
_exptl_absorpt_correction_T_max  0.8867
_exptl_absorpt_correction_T_min  0.8571
_exptl_absorpt_correction_type   'psi-scan corrections'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.042
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       chip
_exptl_crystal_F_000             940
_exptl_crystal_size_max          0.552
_exptl_crystal_size_mid          0.460
_exptl_crystal_size_min          0.322
_refine_diff_density_max         .351
_refine_diff_density_min         -.315
_refine_diff_density_rms         .035
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.008
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     532
_refine_ls_number_reflns         7162
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.008
_refine_ls_R_factor_all          0.0970
_refine_ls_R_factor_gt           0.0447
_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
 [0.00000+1.00000exp(4.00(sinθ/λ)²)]/
   [σ²(Fo²)+0.0000+0.0000*P+(0.0400P)²+0.0000sinθ/λ]
 where P = 0.33333Fo² + 0.66667Fc²
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0936
_refine_ls_wR_factor_ref         0.1059
_reflns_number_gt                3539
_reflns_number_total             7162
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic990507e_1.cif
_cod_data_source_block           tc4/11
_cod_original_cell_volume        2743.7(10)
_cod_database_code               4322353
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
P1 P 0.23610(9) 0.59925(7) 0.74762(5) 0.0411(3) Uani 1 1 d . . .
P2 P 0.28883(9) 0.82031(7) 0.71265(5) 0.0410(3) Uani 1 1 d . . .
B1 B 0.2614(4) 0.4870(3) 0.7891(2) 0.0391(10) Uani 1 1 d . . .
N1 N 0.3675(3) 0.45379(19) 0.78434(16) 0.0422(7) Uani 1 1 d . . .
N2 N 0.1558(3) 0.42893(19) 0.82373(15) 0.0418(7) Uani 1 1 d . . .
N3 N 0.4919(3) 1.01392(19) 0.70403(16) 0.0423(7) Uani 1 1 d . . .
N4 N 0.2701(3) 1.0084(2) 0.7191(2) 0.0582(9) Uani 1 1 d . . .
B2 B 0.3628(4) 0.9575(3) 0.7122(2) 0.0424(10) Uani 1 1 d . . .
C1 C 0.4050(4) 0.3925(3) 0.8405(2) 0.0560(11) Uani 1 1 d . . .
H1 H 0.3314 0.3700 0.8662 0.070 Uiso 1 1 calc R . .
C2 C 0.5245(4) 0.4459(3) 0.9031(2) 0.0835(14) Uani 1 1 d . . .
H2A H 0.5136 0.5015 0.9240 0.104 Uiso 1 1 calc R . .
H2B H 0.6022 0.4650 0.8825 0.104 Uiso 1 1 calc R . .
H2C H 0.5331 0.4047 0.9422 0.104 Uiso 1 1 calc R . .
C3 C 0.4181(4) 0.3017(3) 0.8084(3) 0.0859(15) Uani 1 1 d . . .
H3A H 0.3416 0.2685 0.7696 0.107 Uiso 1 1 calc R . .
H3B H 0.4258 0.2612 0.8481 0.107 Uiso 1 1 calc R . .
H3C H 0.4951 0.3185 0.7872 0.107 Uiso 1 1 calc R . .
C4 C 0.4365(4) 0.4807(3) 0.7224(2) 0.0537(10) Uani 1 1 d . . .
H4 H 0.4197 0.5381 0.7057 0.067 Uiso 1 1 calc R . .
C5 C 0.5873(4) 0.5102(3) 0.7415(3) 0.0794(14) Uani 1 1 d . . .
H5A H 0.6235 0.5580 0.7841 0.099 Uiso 1 1 calc R . .
H5B H 0.6217 0.5358 0.6987 0.099 Uiso 1 1 calc R . .
H5C H 0.6108 0.4553 0.7538 0.099 Uiso 1 1 calc R . .
C6 C 0.3784(4) 0.4076(3) 0.6532(2) 0.0851(15) Uani 1 1 d . . .
H6A H 0.2844 0.3899 0.6414 0.106 Uiso 1 1 calc R . .
H6B H 0.4010 0.3519 0.6637 0.106 Uiso 1 1 calc R . .
H6C H 0.4132 0.4350 0.6109 0.106 Uiso 1 1 calc R . .
C7 C 0.0931(4) 0.3267(3) 0.7975(2) 0.0523(10) Uani 1 1 d . . .
H7 H 0.1615 0.3089 0.7806 0.065 Uiso 1 1 calc R . .
C8 C -0.0171(4) 0.3062(3) 0.7278(2) 0.0809(14) Uani 1 1 d . . .
H8A H 0.0124 0.3486 0.6907 0.101 Uiso 1 1 calc R . .
H8B H -0.0916 0.3159 0.7415 0.101 Uiso 1 1 calc R . .
H8C H -0.0420 0.2411 0.7070 0.101 Uiso 1 1 calc R . .
C9 C 0.0509(4) 0.2589(3) 0.8574(2) 0.0768(13) Uani 1 1 d . . .
H9A H 0.1229 0.2723 0.9004 0.096 Uiso 1 1 calc R . .
H9B H 0.0259 0.1939 0.8364 0.096 Uiso 1 1 calc R . .
H9C H -0.0225 0.2679 0.8731 0.096 Uiso 1 1 calc R . .
C10 C 0.0987(4) 0.4742(3) 0.8741(2) 0.0586(11) Uani 1 1 d . . .
H10 H 0.1385 0.5426 0.8686 0.073 Uiso 1 1 calc R . .
C11 C 0.1461(5) 0.4678(4) 0.9565(2) 0.0941(16) Uani 1 1 d . . .
H11A H 0.2395 0.4822 0.9672 0.118 Uiso 1 1 calc R . .
H11B H 0.1031 0.4043 0.9690 0.118 Uiso 1 1 calc R . .
H11C H 0.1261 0.5129 0.9862 0.118 Uiso 1 1 calc R . .
C12 C -0.0472(4) 0.4554(4) 0.8512(3) 0.0894(16) Uani 1 1 d . . .
H12A H -0.0703 0.4618 0.7981 0.112 Uiso 1 1 calc R . .
H12B H -0.0687 0.5007 0.8796 0.112 Uiso 1 1 calc R . .
H12C H -0.0953 0.3917 0.8613 0.112 Uiso 1 1 calc R . .
C13 C 0.5741(3) 0.9671(3) 0.6754(2) 0.0511(10) Uani 1 1 d . . .
H13 H 0.5445 0.9016 0.6898 0.064 Uiso 1 1 calc R . .
C14 C 0.7229(3) 1.0081(3) 0.7080(2) 0.0657(12) Uani 1 1 d . . .
H14A H 0.7391 1.0134 0.7623 0.082 Uiso 1 1 calc R . .
H14B H 0.7593 1.0703 0.6912 0.082 Uiso 1 1 calc R . .
H14C H 0.7634 0.9664 0.6909 0.082 Uiso 1 1 calc R . .
C15 C 0.5487(4) 0.9573(3) 0.5888(2) 0.0780(13) Uani 1 1 d . . .
H15A H 0.4557 0.9295 0.5683 0.097 Uiso 1 1 calc R . .
H15B H 0.5916 0.9168 0.5724 0.097 Uiso 1 1 calc R . .
H15C H 0.5828 1.0193 0.5713 0.097 Uiso 1 1 calc R . .
C16 C 0.5389(4) 1.1193(3) 0.7184(2) 0.0591(11) Uani 1 1 d . . .
H16 H 0.4620 1.1341 0.7254 0.074 Uiso 1 1 calc R . .
C17 C 0.5843(4) 1.1751(3) 0.6534(3) 0.0936(16) Uani 1 1 d . . .
H17A H 0.5178 1.1508 0.6078 0.117 Uiso 1 1 calc R . .
H17B H 0.6645 1.1681 0.6465 0.117 Uiso 1 1 calc R . .
H17C H 0.5993 1.2415 0.6650 0.117 Uiso 1 1 calc R . .
C18 C 0.6404(4) 1.1572(3) 0.7931(3) 0.0825(14) Uani 1 1 d . . .
H18A H 0.6080 1.1216 0.8331 0.103 Uiso 1 1 calc R . .
H18B H 0.6551 1.2236 0.8045 0.103 Uiso 1 1 calc R . .
H18C H 0.7216 1.1500 0.7885 0.103 Uiso 1 1 calc R . .
C19 C 0.2081(5) 0.9894(3) 0.7860(4) 0.0901(17) Uani 1 1 d . . .
H19 H 0.1522 0.9216 0.7801 0.113 Uiso 1 1 calc R . .
C20 C 0.3140(6) 1.0065(4) 0.8569(3) 0.110(2) Uani 1 1 d . . .
H20A H 0.3659 0.9676 0.8518 0.137 Uiso 1 1 calc R . .
H20B H 0.2740 0.9900 0.8997 0.137 Uiso 1 1 calc R . .
H20C H 0.3695 1.0727 0.8644 0.137 Uiso 1 1 calc R . .
C21 C 0.1229(6) 1.0482(4) 0.7956(4) 0.159(3) Uani 1 1 d . . .
H21A H 0.0535 1.0358 0.7514 0.198 Uiso 1 1 calc R . .
H21B H 0.1759 1.1150 0.8024 0.198 Uiso 1 1 calc R . .
H21C H 0.0856 1.0310 0.8392 0.198 Uiso 1 1 calc R . .
C22 C 0.1929(5) 1.0138(3) 0.6435(4) 0.130(3) Uani 1 1 d . . .
H22 H 0.2420 0.9938 0.6109 0.163 Uiso 1 1 calc R . .
C23 C 0.0588(5) 0.9296(4) 0.6218(4) 0.146(3) Uani 1 1 d . . .
H23A H 0.0704 0.8715 0.6372 0.182 Uiso 1 1 calc R . .
H23B H 0.0265 0.9229 0.5679 0.182 Uiso 1 1 calc R . .
H23C H -0.0034 0.9424 0.6468 0.182 Uiso 1 1 calc R . .
C24 C 0.1997(8) 1.0984(6) 0.6187(5) 0.272(7) Uani 1 1 d . . .
H24A H 0.2890 1.1421 0.6324 0.341 Uiso 1 1 calc R . .
H24B H 0.1445 1.1232 0.6413 0.341 Uiso 1 1 calc R . .
H24C H 0.1704 1.0908 0.5646 0.341 Uiso 1 1 calc R . .
Si Si 0.40778(9) 0.72700(7) 0.73879(5) 0.0363(2) Uani 1 1 d . . .
C25 C 0.5395(3) 0.7710(2) 0.82924(18) 0.0392(9) Uani 1 1 d . . .
C26 C 0.5776(4) 0.7068(3) 0.8743(2) 0.0549(10) Uani 1 1 d . . .
H26 H 0.5389 0.6418 0.8585 0.069 Uiso 1 1 calc R . .
C27 C 0.6708(4) 0.7359(3) 0.9417(2) 0.0683(12) Uani 1 1 d . . .
H27 H 0.6935 0.6908 0.9703 0.085 Uiso 1 1 calc R . .
C28 C 0.7294(4) 0.8312(4) 0.9660(2) 0.0773(14) Uani 1 1 d . . .
H28 H 0.7927 0.8514 1.0109 0.097 Uiso 1 1 calc R . .
C29 C 0.6940(4) 0.8966(3) 0.9237(2) 0.0828(15) Uani 1 1 d . . .
H29 H 0.7331 0.9615 0.9400 0.104 Uiso 1 1 calc R . .
C30 C 0.5997(4) 0.8663(3) 0.8563(2) 0.0631(12) Uani 1 1 d . . .
H30 H 0.5765 0.9119 0.8286 0.079 Uiso 1 1 calc R . .
C31 C 0.4994(3) 0.7121(2) 0.66267(19) 0.0388(8) Uani 1 1 d . . .
C32 C 0.6353(3) 0.7527(3) 0.6718(2) 0.0526(10) Uani 1 1 d . . .
H32 H 0.6854 0.7848 0.7184 0.066 Uiso 1 1 calc R . .
C33 C 0.6981(4) 0.7467(3) 0.6140(3) 0.0693(12) Uani 1 1 d . . .
H33 H 0.7892 0.7741 0.6222 0.087 Uiso 1 1 calc R . .
C34 C 0.6267(5) 0.7009(3) 0.5450(3) 0.0806(14) Uani 1 1 d . . .
H34 H 0.6689 0.6982 0.5057 0.101 Uiso 1 1 calc R . .
C35 C 0.4921(4) 0.6585(3) 0.5336(2) 0.0801(14) Uani 1 1 d . . .
H35 H 0.4431 0.6257 0.4870 0.100 Uiso 1 1 calc R . .
C36 C 0.4303(4) 0.6651(3) 0.5921(2) 0.0595(11) Uani 1 1 d . . .
H36 H 0.3392 0.6369 0.5837 0.074 Uiso 1 1 calc R . .
Li1 Li 0.1238(6) 0.6670(5) 0.6361(3) 0.0545(17) Uani 1 1 d . . .
O1 O -0.0678(3) 0.5917(2) 0.60126(16) 0.0733(8) Uani 1 1 d . . .
O2 O 0.1014(3) 0.6832(2) 0.52197(15) 0.0782(9) Uani 1 1 d . . .
C37 C -0.1380(5) 0.5122(4) 0.6353(3) 0.124(2) Uani 1 1 d . . .
H37A H -0.1057 0.5228 0.6893 0.156 Uiso 1 1 calc R . .
H37B H -0.1263 0.4559 0.6163 0.156 Uiso 1 1 calc R . .
H37C H -0.2298 0.5038 0.6237 0.156 Uiso 1 1 calc R . .
C38 C -0.1128(4) 0.5804(4) 0.5227(3) 0.0848(15) Uani 1 1 d . . .
H38A H -0.2049 0.5736 0.5100 0.106 Uiso 1 1 calc R . .
H38B H -0.1036 0.5235 0.5013 0.106 Uiso 1 1 calc R . .
C39 C -0.0330(4) 0.6660(4) 0.4922(3) 0.0972(17) Uani 1 1 d . . .
H39A H -0.0514 0.6560 0.4373 0.121 Uiso 1 1 calc R . .
H39B H -0.0547 0.7208 0.5062 0.121 Uiso 1 1 calc R . .
C40 C 0.1865(5) 0.7606(4) 0.4917(3) 0.1077(19) Uani 1 1 d . . .
H40A H 0.2763 0.7688 0.5137 0.135 Uiso 1 1 calc R . .
H40B H 0.1704 0.8181 0.5033 0.135 Uiso 1 1 calc R . .
H40C H 0.1703 0.7474 0.4378 0.135 Uiso 1 1 calc R . .
Li2 Li 0.1978(6) 0.7332(4) 0.8210(4) 0.0543(17) Uani 1 1 d . . .
O3 O 0.2525(3) 0.7678(3) 0.93475(16) 0.0877(10) Uani 1 1 d . . .
O4 O 0.0280(3) 0.7323(3) 0.8434(2) 0.0889(10) Uani 1 1 d . . .
C41 C 0.3696(5) 0.7724(5) 0.9838(3) 0.145(3) Uani 1 1 d . . .
H41A H 0.4353 0.7764 0.9551 0.181 Uiso 1 1 calc R . .
H41B H 0.3542 0.7159 1.0103 0.181 Uiso 1 1 calc R . .
H41C H 0.3995 0.8278 1.0197 0.181 Uiso 1 1 calc R . .
C42 C 0.1507(5) 0.7631(4) 0.9681(3) 0.1022(18) Uani 1 1 d . . .
H42A H 0.1789 0.8175 1.0057 0.128 Uiso 1 1 calc R . .
H42B H 0.1289 0.7056 0.9942 0.128 Uiso 1 1 calc R . .
C43 C 0.0359(5) 0.7624(5) 0.9166(3) 0.1084(19) Uani 1 1 d . . .
H43A H -0.0407 0.7211 0.9332 0.135 Uiso 1 1 calc R . .
H43B H 0.0330 0.8266 0.9182 0.135 Uiso 1 1 calc R . .
C44 C -0.0847(5) 0.7293(4) 0.7902(3) 0.126(2) Uani 1 1 d . . .
H44A H -0.0799 0.7072 0.7410 0.158 Uiso 1 1 calc R . .
H44B H -0.0895 0.7922 0.7890 0.158 Uiso 1 1 calc R . .
H44C H -0.1617 0.6865 0.8044 0.158 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 .0033 .0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H .0000 .0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Li Li -.0003 .0001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B .0013 .0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N .0061 .0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O .0106 .0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si .0817 .0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P .1023 .0942 '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
B1 P1 Si 120.60(13) . . ?
B1 P1 Li1 146.87(19) . . ?
Si P1 Li1 81.52(15) . . ?
B1 P1 Li2 125.69(18) . . ?
Si P1 Li2 77.63(14) . . ?
Li1 P1 Li2 80.5(2) . . ?
B2 P2 Si 124.15(13) . . ?
B2 P2 Li1 143.86(19) . . ?
Si P2 Li1 81.93(15) . . ?
B2 P2 Li2 125.2(2) . . ?
Si P2 Li2 77.98(15) . . ?
Li1 P2 Li2 81.2(2) . . ?
N1 B1 N2 118.6(3) . . ?
N1 B1 P1 126.4(3) . . ?
N2 B1 P1 114.8(3) . . ?
B1 N1 C4 119.0(3) . . ?
B1 N1 C1 120.4(3) . . ?
C4 N1 C1 120.6(3) . . ?
B1 N2 C7 118.3(3) . . ?
B1 N2 C10 120.7(3) . . ?
C7 N2 C10 120.3(3) . . ?
B2 N3 C16 120.1(3) . . ?
B2 N3 C13 119.7(3) . . ?
C16 N3 C13 120.1(3) . . ?
C22 N4 C19 121.2(4) . . ?
C22 N4 B2 110.9(4) . . ?
C19 N4 B2 115.5(3) . . ?
N3 B2 N4 117.5(3) . . ?
N3 B2 P2 127.9(3) . . ?
N4 B2 P2 114.5(3) . . ?
N1 C1 C2 114.2(3) . . ?
N1 C1 C3 116.0(3) . . ?
C2 C1 C3 110.4(3) . . ?
N1 C1 H1 105.0 . . ?
C2 C1 H1 105.0 . . ?
C3 C1 H1 105.0 . . ?
C1 C2 H2A 109.5 . . ?
C1 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
C1 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
C1 C3 H3A 109.5 . . ?
C1 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
C1 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
N1 C4 C6 113.1(3) . . ?
N1 C4 C5 117.5(3) . . ?
C6 C4 C5 109.9(3) . . ?
N1 C4 H4 105.0 . . ?
C6 C4 H4 105.0 . . ?
C5 C4 H4 105.0 . . ?
C4 C5 H5A 109.5 . . ?
C4 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
C4 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C4 C6 H6A 109.5 . . ?
C4 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C4 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
N2 C7 C8 113.0(3) . . ?
N2 C7 C9 116.6(3) . . ?
C8 C7 C9 111.1(3) . . ?
N2 C7 H7 105.0 . . ?
C8 C7 H7 105.0 . . ?
C9 C7 H7 105.0 . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
N2 C10 C11 113.7(3) . . ?
N2 C10 C12 117.1(3) . . ?
C11 C10 C12 114.0(3) . . ?
N2 C10 H10 103.2 . . ?
C11 C10 H10 103.2 . . ?
C12 C10 H10 103.2 . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C10 C12 H12A 109.5 . . ?
C10 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C10 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
N3 C13 C15 112.3(3) . . ?
N3 C13 C14 117.5(3) . . ?
C15 C13 C14 109.3(3) . . ?
N3 C13 H13 105.6 . . ?
C15 C13 H13 105.6 . . ?
C14 C13 H13 105.6 . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C13 C15 H15A 109.5 . . ?
C13 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C13 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
N3 C16 C17 115.8(3) . . ?
N3 C16 C18 112.8(3) . . ?
C17 C16 C18 111.5(3) . . ?
N3 C16 H16 105.2 . . ?
C17 C16 H16 105.2 . . ?
C18 C16 H16 105.2 . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C16 C18 H18A 109.5 . . ?
C16 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C16 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
N4 C19 C20 109.3(4) . . ?
N4 C19 C21 114.6(5) . . ?
C20 C19 C21 109.2(5) . . ?
N4 C19 H19 107.8 . . ?
C20 C19 H19 107.8 . . ?
C21 C19 H19 107.8 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C19 C21 H21A 109.5 . . ?
C19 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C19 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C24 C22 N4 120.4(5) . . ?
C24 C22 C23 118.1(5) . . ?
N4 C22 C23 112.5(5) . . ?
C24 C22 H22 100.1 . . ?
N4 C22 H22 100.1 . . ?
C23 C22 H22 100.1 . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C22 C24 H24A 109.5 . . ?
C22 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C22 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C25 Si C31 104.96(15) . . ?
C25 Si P1 114.68(12) . . ?
C31 Si P1 115.18(12) . . ?
C25 Si P2 113.27(12) . . ?
C31 Si P2 115.00(11) . . ?
P1 Si P2 94.01(5) . . ?
C25 Si Li2 91.31(16) . . ?
C31 Si Li2 163.72(17) . . ?
P1 Si Li2 56.39(13) . . ?
P2 Si Li2 55.94(12) . . ?
C25 Si Li1 156.59(15) . . ?
C31 Si Li1 98.42(15) . . ?
P1 Si Li1 54.06(13) . . ?
P2 Si Li1 53.57(13) . . ?
Li2 Si Li1 65.30(17) . . ?
C30 C25 C26 115.7(3) . . ?
C30 C25 Si 123.3(3) . . ?
C26 C25 Si 120.9(3) . . ?
C27 C26 C25 122.7(4) . . ?
C27 C26 H26 118.7 . . ?
C25 C26 H26 118.6 . . ?
C28 C27 C26 119.7(4) . . ?
C28 C27 H27 120.1 . . ?
C26 C27 H27 120.1 . . ?
C27 C28 C29 119.5(4) . . ?
C27 C28 H28 120.3 . . ?
C29 C28 H28 120.3 . . ?
C28 C29 C30 120.2(4) . . ?
C28 C29 H29 119.9 . . ?
C30 C29 H29 119.9 . . ?
C25 C30 C29 122.2(4) . . ?
C25 C30 H30 118.9 . . ?
C29 C30 H30 118.9 . . ?
C36 C31 C32 116.2(3) . . ?
C36 C31 Si 120.3(3) . . ?
C32 C31 Si 123.3(3) . . ?
C33 C32 C31 122.1(4) . . ?
C33 C32 H32 119.0 . . ?
C31 C32 H32 119.0 . . ?
C34 C33 C32 120.1(4) . . ?
C34 C33 H33 119.9 . . ?
C32 C33 H33 119.9 . . ?
C33 C34 C35 119.9(4) . . ?
C33 C34 H34 120.1 . . ?
C35 C34 H34 120.1 . . ?
C34 C35 C36 119.4(4) . . ?
C34 C35 H35 120.3 . . ?
C36 C35 H35 120.3 . . ?
C31 C36 C35 122.3(4) . . ?
C31 C36 H36 118.8 . . ?
C35 C36 H36 118.8 . . ?
O1 Li1 O2 80.2(2) . . ?
O1 Li1 P2 143.6(3) . . ?
O2 Li1 P2 110.1(3) . . ?
O1 Li1 P1 113.0(3) . . ?
O2 Li1 P1 145.5(3) . . ?
P2 Li1 P1 78.78(18) . . ?
O1 Li1 Si 157.3(3) . . ?
O2 Li1 Si 119.5(3) . . ?
P2 Li1 Si 44.50(10) . . ?
P1 Li1 Si 44.41(10) . . ?
O1 Li1 Li2 110.7(3) . . ?
O2 Li1 Li2 157.5(3) . . ?
P2 Li1 Li2 49.46(15) . . ?
P1 Li1 Li2 49.78(15) . . ?
Si Li1 Li2 55.58(15) . . ?
C38 O1 C37 111.6(4) . . ?
C38 O1 Li1 114.2(3) . . ?
C37 O1 Li1 124.6(3) . . ?
C39 O2 C40 113.0(4) . . ?
C39 O2 Li1 107.7(3) . . ?
C40 O2 Li1 123.3(3) . . ?
O1 C37 H37A 109.5 . . ?
O1 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
O1 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
O1 C38 C39 107.7(4) . . ?
O1 C38 H38A 110.2 . . ?
C39 C38 H38A 110.2 . . ?
O1 C38 H38B 110.2 . . ?
C39 C38 H38B 110.2 . . ?
H38A C38 H38B 108.5 . . ?
O2 C39 C38 108.9(4) . . ?
O2 C39 H39A 109.9 . . ?
C38 C39 H39A 109.9 . . ?
O2 C39 H39B 109.9 . . ?
C38 C39 H39B 109.9 . . ?
H39A C39 H39B 108.3 . . ?
O2 C40 H40A 109.5 . . ?
O2 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
O2 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
O4 Li2 O3 79.7(3) . . ?
O4 Li2 P2 121.7(3) . . ?
O3 Li2 P2 131.0(3) . . ?
O4 Li2 P1 127.0(3) . . ?
O3 Li2 P1 126.0(3) . . ?
P2 Li2 P1 78.65(18) . . ?
O4 Li2 Si 162.7(3) . . ?
O3 Li2 Si 117.4(3) . . ?
P2 Li2 Si 46.08(10) . . ?
P1 Li2 Si 45.98(10) . . ?
O4 Li2 Li1 103.9(3) . . ?
O3 Li2 Li1 175.5(3) . . ?
P2 Li2 Li1 49.34(16) . . ?
P1 Li2 Li1 49.71(16) . . ?
Si Li2 Li1 59.12(15) . . ?
C42 O3 C41 115.9(4) . . ?
C42 O3 Li2 113.7(3) . . ?
C41 O3 Li2 128.4(3) . . ?
C43 O4 C44 116.6(4) . . ?
C43 O4 Li2 114.5(3) . . ?
C44 O4 Li2 126.5(4) . . ?
O3 C41 H41A 109.5 . . ?
O3 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
O3 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
O3 C42 C43 113.9(4) . . ?
O3 C42 H42A 108.8 . . ?
C43 C42 H42A 108.8 . . ?
O3 C42 H42B 108.8 . . ?
C43 C42 H42B 108.8 . . ?
H42A C42 H42B 107.7 . . ?
O4 C43 C42 114.4(4) . . ?
O4 C43 H43A 108.7 . . ?
C42 C43 H43A 108.7 . . ?
O4 C43 H43B 108.7 . . ?
C42 C43 H43B 108.7 . . ?
H43A C43 H43B 107.6 . . ?
O4 C44 H44A 109.5 . . ?
O4 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
O4 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
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
P1 B1 1.937(4) . ?
P1 Si 2.2217(16) . ?
P1 Li1 2.570(6) . ?
P1 Li2 2.573(6) . ?
P2 B2 1.931(4) . ?
P2 Si 2.2228(14) . ?
P2 Li1 2.552(7) . ?
P2 Li2 2.556(6) . ?
B1 N1 1.438(5) . ?
B1 N2 1.459(5) . ?
N1 C4 1.464(4) . ?
N1 C1 1.476(4) . ?
N2 C7 1.468(4) . ?
N2 C10 1.474(4) . ?
N3 B2 1.429(5) . ?
N3 C16 1.478(4) . ?
N3 C13 1.479(4) . ?
N4 C22 1.484(6) . ?
N4 C19 1.489(5) . ?
N4 B2 1.491(5) . ?
C1 C2 1.524(5) . ?
C1 C3 1.526(5) . ?
C1 H1 0.9800 . ?
C2 H2A 0.9600 . ?
C2 H2B 0.9600 . ?
C2 H2C 0.9600 . ?
C3 H3A 0.9600 . ?
C3 H3B 0.9600 . ?
C3 H3C 0.9600 . ?
C4 C6 1.521(5) . ?
C4 C5 1.539(5) . ?
C4 H4 0.9800 . ?
C5 H5A 0.9600 . ?
C5 H5B 0.9600 . ?
C5 H5C 0.9600 . ?
C6 H6A 0.9600 . ?
C6 H6B 0.9600 . ?
C6 H6C 0.9600 . ?
C7 C8 1.517(5) . ?
C7 C9 1.530(5) . ?
C7 H7 0.9800 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 C11 1.498(5) . ?
C10 C12 1.512(5) . ?
C10 H10 0.9800 . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C13 C15 1.530(5) . ?
C13 C14 1.534(5) . ?
C13 H13 0.9800 . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C16 C17 1.523(5) . ?
C16 C18 1.531(5) . ?
C16 H16 0.9800 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 C20 1.510(7) . ?
C19 C21 1.522(6) . ?
C19 H19 0.9800 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C22 C24 1.333(8) . ?
C22 C23 1.555(6) . ?
C22 H22 0.9800 . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
Si C25 1.898(3) . ?
Si C31 1.912(3) . ?
Si Li2 3.018(6) . ?
Si Li1 3.140(6) . ?
C25 C30 1.380(5) . ?
C25 C26 1.393(5) . ?
C26 C27 1.385(5) . ?
C26 H26 0.9300 . ?
C27 C28 1.368(6) . ?
C27 H27 0.9300 . ?
C28 C29 1.369(6) . ?
C28 H28 0.9300 . ?
C29 C30 1.391(5) . ?
C29 H29 0.9300 . ?
C30 H30 0.9300 . ?
C31 C36 1.385(5) . ?
C31 C32 1.390(4) . ?
C32 C33 1.380(5) . ?
C32 H32 0.9300 . ?
C33 C34 1.363(5) . ?
C33 H33 0.9300 . ?
C34 C35 1.377(5) . ?
C34 H34 0.9300 . ?
C35 C36 1.386(5) . ?
C35 H35 0.9300 . ?
C36 H36 0.9300 . ?
Li1 O1 1.995(7) . ?
Li1 O2 2.061(7) . ?
Li1 Li2 3.324(9) . ?
O1 C38 1.396(5) . ?
O1 C37 1.409(5) . ?
O2 C39 1.411(5) . ?
O2 C40 1.418(5) . ?
C37 H37A 0.9600 . ?
C37 H37B 0.9600 . ?
C37 H37C 0.9600 . ?
C38 C39 1.473(6) . ?
C38 H38A 0.9700 . ?
C38 H38B 0.9700 . ?
C39 H39A 0.9700 . ?
C39 H39B 0.9700 . ?
C40 H40A 0.9600 . ?
C40 H40B 0.9600 . ?
C40 H40C 0.9600 . ?
Li2 O4 1.994(7) . ?
Li2 O3 2.029(7) . ?
O3 C42 1.360(5) . ?
O3 C41 1.400(5) . ?
O4 C43 1.364(5) . ?
O4 C44 1.406(5) . ?
C41 H41A 0.9600 . ?
C41 H41B 0.9600 . ?
C41 H41C 0.9600 . ?
C42 C43 1.419(6) . ?
C42 H42A 0.9700 . ?
C42 H42B 0.9700 . ?
C43 H43A 0.9700 . ?
C43 H43B 0.9700 . ?
C44 H44A 0.9600 . ?
C44 H44B 0.9600 . ?
C44 H44C 0.9600 . ?
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
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Si P1 B1 N1 -31.2(4) . . . . ?
Li1 P1 B1 N1 95.2(4) . . . . ?
Li2 P1 B1 N1 -128.0(3) . . . . ?
Si P1 B1 N2 153.1(2) . . . . ?
Li1 P1 B1 N2 -80.5(4) . . . . ?
Li2 P1 B1 N2 56.3(3) . . . . ?
N2 B1 N1 C4 151.1(3) . . . . ?
P1 B1 N1 C4 -24.4(5) . . . . ?
N2 B1 N1 C1 -28.1(5) . . . . ?
P1 B1 N1 C1 156.4(3) . . . . ?
N1 B1 N2 C7 -50.1(4) . . . . ?
P1 B1 N2 C7 125.9(3) . . . . ?
N1 B1 N2 C10 139.9(3) . . . . ?
P1 B1 N2 C10 -44.1(4) . . . . ?
C16 N3 B2 N4 12.7(5) . . . . ?
C13 N3 B2 N4 -162.5(3) . . . . ?
C16 N3 B2 P2 -169.3(3) . . . . ?
C13 N3 B2 P2 15.4(5) . . . . ?
C22 N4 B2 N3 90.4(4) . . . . ?
C19 N4 B2 N3 -126.9(4) . . . . ?
C22 N4 B2 P2 -87.8(4) . . . . ?
C19 N4 B2 P2 54.9(4) . . . . ?
Si P2 B2 N3 21.6(4) . . . . ?
Li1 P2 B2 N3 -108.3(4) . . . . ?
Li2 P2 B2 N3 121.4(4) . . . . ?
Si P2 B2 N4 -160.4(2) . . . . ?
Li1 P2 B2 N4 69.7(4) . . . . ?
Li2 P2 B2 N4 -60.6(4) . . . . ?
B1 N1 C1 C2 -99.7(4) . . . . ?
C4 N1 C1 C2 81.1(4) . . . . ?
B1 N1 C1 C3 130.3(4) . . . . ?
C4 N1 C1 C3 -48.9(5) . . . . ?
B1 N1 C4 C6 -92.2(4) . . . . ?
C1 N1 C4 C6 87.1(4) . . . . ?
B1 N1 C4 C5 138.1(3) . . . . ?
C1 N1 C4 C5 -42.7(5) . . . . ?
B1 N2 C7 C8 -85.2(4) . . . . ?
C10 N2 C7 C8 84.8(4) . . . . ?
B1 N2 C7 C9 144.2(3) . . . . ?
C10 N2 C7 C9 -45.8(5) . . . . ?
B1 N2 C10 C11 -102.7(4) . . . . ?
C7 N2 C10 C11 87.5(4) . . . . ?
B1 N2 C10 C12 121.0(4) . . . . ?
C7 N2 C10 C12 -48.8(5) . . . . ?
B2 N3 C13 C15 86.9(4) . . . . ?
C16 N3 C13 C15 -88.3(4) . . . . ?
B2 N3 C13 C14 -145.0(3) . . . . ?
C16 N3 C13 C14 39.7(5) . . . . ?
B2 N3 C16 C17 -123.5(4) . . . . ?
C13 N3 C16 C17 51.7(5) . . . . ?
B2 N3 C16 C18 106.3(4) . . . . ?
C13 N3 C16 C18 -78.5(4) . . . . ?
C22 N4 C19 C20 -169.3(4) . . . . ?
B2 N4 C19 C20 52.1(5) . . . . ?
C22 N4 C19 C21 -46.3(6) . . . . ?
B2 N4 C19 C21 175.1(4) . . . . ?
C19 N4 C22 C24 99.6(9) . . . . ?
B2 N4 C22 C24 -120.2(8) . . . . ?
C19 N4 C22 C23 -46.9(6) . . . . ?
B2 N4 C22 C23 93.3(5) . . . . ?
B1 P1 Si C25 -50.33(19) . . . . ?
Li1 P1 Si C25 156.10(18) . . . . ?
Li2 P1 Si C25 74.02(19) . . . . ?
B1 P1 Si C31 71.68(18) . . . . ?
Li1 P1 Si C31 -81.89(18) . . . . ?
Li2 P1 Si C31 -163.96(19) . . . . ?
B1 P1 Si P2 -168.24(14) . . . . ?
Li1 P1 Si P2 38.18(15) . . . . ?
Li2 P1 Si P2 -43.89(15) . . . . ?
B1 P1 Si Li2 -124.4(2) . . . . ?
Li1 P1 Si Li2 82.1(2) . . . . ?
B1 P1 Si Li1 153.6(2) . . . . ?
Li2 P1 Si Li1 -82.1(2) . . . . ?
B2 P2 Si C25 49.7(2) . . . . ?
Li1 P2 Si C25 -157.54(18) . . . . ?
Li2 P2 Si C25 -74.88(19) . . . . ?
B2 P2 Si C31 -71.1(2) . . . . ?
Li1 P2 Si C31 81.75(19) . . . . ?
Li2 P2 Si C31 164.40(19) . . . . ?
B2 P2 Si P1 168.72(16) . . . . ?
Li1 P2 Si P1 -38.47(15) . . . . ?
Li2 P2 Si P1 44.18(15) . . . . ?
B2 P2 Si Li2 124.5(2) . . . . ?
Li1 P2 Si Li2 -82.7(2) . . . . ?
B2 P2 Si Li1 -152.8(2) . . . . ?
Li2 P2 Si Li1 82.7(2) . . . . ?
C31 Si C25 C30 96.8(3) . . . . ?
P1 Si C25 C30 -135.8(3) . . . . ?
P2 Si C25 C30 -29.4(3) . . . . ?
Li2 Si C25 C30 -82.6(3) . . . . ?
Li1 Si C25 C30 -80.1(5) . . . . ?
C31 Si C25 C26 -85.8(3) . . . . ?
P1 Si C25 C26 41.7(3) . . . . ?
P2 Si C25 C26 148.0(3) . . . . ?
Li2 Si C25 C26 94.9(3) . . . . ?
Li1 Si C25 C26 97.3(5) . . . . ?
C30 C25 C26 C27 -0.6(6) . . . . ?
Si C25 C26 C27 -178.3(3) . . . . ?
C25 C26 C27 C28 -0.2(6) . . . . ?
C26 C27 C28 C29 0.7(7) . . . . ?
C27 C28 C29 C30 -0.3(7) . . . . ?
C26 C25 C30 C29 1.0(6) . . . . ?
Si C25 C30 C29 178.5(3) . . . . ?
C28 C29 C30 C25 -0.5(7) . . . . ?
C25 Si C31 C36 168.7(3) . . . . ?
P1 Si C31 C36 41.6(3) . . . . ?
P2 Si C31 C36 -66.2(3) . . . . ?
Li2 Si C31 C36 -13.6(7) . . . . ?
Li1 Si C31 C36 -12.6(3) . . . . ?
C25 Si C31 C32 -16.3(3) . . . . ?
P1 Si C31 C32 -143.4(3) . . . . ?
P2 Si C31 C32 108.9(3) . . . . ?
Li2 Si C31 C32 161.5(5) . . . . ?
Li1 Si C31 C32 162.5(3) . . . . ?
C36 C31 C32 C33 0.1(6) . . . . ?
Si C31 C32 C33 -175.1(3) . . . . ?
C31 C32 C33 C34 0.7(6) . . . . ?
C32 C33 C34 C35 -1.6(7) . . . . ?
C33 C34 C35 C36 1.6(7) . . . . ?
C32 C31 C36 C35 0.0(6) . . . . ?
Si C31 C36 C35 175.4(3) . . . . ?
C34 C35 C36 C31 -0.8(7) . . . . ?
B2 P2 Li1 O1 -73.0(6) . . . . ?
Si P2 Li1 O1 146.9(5) . . . . ?
Li2 P2 Li1 O1 67.9(5) . . . . ?
B2 P2 Li1 O2 28.0(5) . . . . ?
Si P2 Li1 O2 -112.1(3) . . . . ?
Li2 P2 Li1 O2 168.9(3) . . . . ?
B2 P2 Li1 P1 173.3(2) . . . . ?
Si P2 Li1 P1 33.15(10) . . . . ?
Li2 P2 Li1 P1 -45.85(18) . . . . ?
B2 P2 Li1 Si 140.1(3) . . . . ?
Li2 P2 Li1 Si -78.99(15) . . . . ?
B2 P2 Li1 Li2 -140.9(3) . . . . ?
Si P2 Li1 Li2 78.99(15) . . . . ?
B1 P1 Li1 O1 47.4(5) . . . . ?
Si P1 Li1 O1 -177.1(3) . . . . ?
Li2 P1 Li1 O1 -98.3(3) . . . . ?
B1 P1 Li1 O2 -59.4(7) . . . . ?
Si P1 Li1 O2 76.1(5) . . . . ?
Li2 P1 Li1 O2 154.9(6) . . . . ?
B1 P1 Li1 P2 -168.7(3) . . . . ?
Si P1 Li1 P2 -33.20(11) . . . . ?
Li2 P1 Li1 P2 45.57(17) . . . . ?
B1 P1 Li1 Si -135.5(3) . . . . ?
Li2 P1 Li1 Si 78.77(15) . . . . ?
B1 P1 Li1 Li2 145.7(3) . . . . ?
Si P1 Li1 Li2 -78.77(15) . . . . ?
C25 Si Li1 O1 -60.9(10) . . . . ?
C31 Si Li1 O1 122.0(8) . . . . ?
P1 Si Li1 O1 7.0(7) . . . . ?
P2 Si Li1 O1 -123.0(8) . . . . ?
Li2 Si Li1 O1 -58.3(8) . . . . ?
C25 Si Li1 O2 151.3(3) . . . . ?
C31 Si Li1 O2 -25.7(3) . . . . ?
P1 Si Li1 O2 -140.7(4) . . . . ?
P2 Si Li1 O2 89.3(3) . . . . ?
Li2 Si Li1 O2 154.0(4) . . . . ?
C25 Si Li1 P2 62.1(4) . . . . ?
C31 Si Li1 P2 -114.95(14) . . . . ?
P1 Si Li1 P2 129.96(16) . . . . ?
Li2 Si Li1 P2 64.74(16) . . . . ?
C25 Si Li1 P1 -67.9(4) . . . . ?
C31 Si Li1 P1 115.09(14) . . . . ?
P2 Si Li1 P1 -129.96(16) . . . . ?
Li2 Si Li1 P1 -65.22(16) . . . . ?
C25 Si Li1 Li2 -2.7(5) . . . . ?
C31 Si Li1 Li2 -179.69(17) . . . . ?
P1 Si Li1 Li2 65.22(16) . . . . ?
P2 Si Li1 Li2 -64.74(16) . . . . ?
O2 Li1 O1 C38 6.2(4) . . . . ?
P2 Li1 O1 C38 116.9(5) . . . . ?
P1 Li1 O1 C38 -140.4(3) . . . . ?
Si Li1 O1 C38 -145.6(7) . . . . ?
Li2 Li1 O1 C38 165.8(3) . . . . ?
O2 Li1 O1 C37 149.4(4) . . . . ?
P2 Li1 O1 C37 -99.9(6) . . . . ?
P1 Li1 O1 C37 2.8(5) . . . . ?
Si Li1 O1 C37 -2.5(10) . . . . ?
Li2 Li1 O1 C37 -51.1(5) . . . . ?
O1 Li1 O2 C39 21.5(4) . . . . ?
P2 Li1 O2 C39 -122.3(3) . . . . ?
P1 Li1 O2 C39 138.0(5) . . . . ?
Si Li1 O2 C39 -170.6(3) . . . . ?
Li2 Li1 O2 C39 -99.9(8) . . . . ?
O1 Li1 O2 C40 156.0(4) . . . . ?
P2 Li1 O2 C40 12.2(5) . . . . ?
P1 Li1 O2 C40 -87.4(7) . . . . ?
Si Li1 O2 C40 -36.1(5) . . . . ?
Li2 Li1 O2 C40 34.7(10) . . . . ?
C37 O1 C38 C39 -179.3(4) . . . . ?
Li1 O1 C38 C39 -31.4(5) . . . . ?
C40 O2 C39 C38 176.0(4) . . . . ?
Li1 O2 C39 C38 -44.3(5) . . . . ?
O1 C38 C39 O2 50.1(5) . . . . ?
B2 P2 Li2 O4 72.1(4) . . . . ?
Si P2 Li2 O4 -164.4(4) . . . . ?
Li1 P2 Li2 O4 -80.9(4) . . . . ?
B2 P2 Li2 O3 -32.9(5) . . . . ?
Si P2 Li2 O3 90.6(4) . . . . ?
Li1 P2 Li2 O3 174.1(4) . . . . ?
B2 P2 Li2 P1 -161.26(16) . . . . ?
Si P2 Li2 P1 -37.75(10) . . . . ?
Li1 P2 Li2 P1 45.81(18) . . . . ?
B2 P2 Li2 Si -123.51(18) . . . . ?
Li1 P2 Li2 Si 83.56(15) . . . . ?
B2 P2 Li2 Li1 152.9(2) . . . . ?
Si P2 Li2 Li1 -83.56(15) . . . . ?
B1 P1 Li2 O4 -81.9(4) . . . . ?
Si P1 Li2 O4 159.1(4) . . . . ?
Li1 P1 Li2 O4 75.8(4) . . . . ?
B1 P1 Li2 O3 23.8(4) . . . . ?
Si P1 Li2 O3 -95.1(3) . . . . ?
Li1 P1 Li2 O3 -178.5(4) . . . . ?
B1 P1 Li2 P2 156.78(16) . . . . ?
Si P1 Li2 P2 37.83(10) . . . . ?
Li1 P1 Li2 P2 -45.49(18) . . . . ?
B1 P1 Li2 Si 118.95(18) . . . . ?
Li1 P1 Li2 Si -83.32(15) . . . . ?
B1 P1 Li2 Li1 -157.7(2) . . . . ?
Si P1 Li2 Li1 83.32(16) . . . . ?
C25 Si Li2 O4 167.7(11) . . . . ?
C31 Si Li2 O4 -10.2(15) . . . . ?
P1 Si Li2 O4 -73.2(10) . . . . ?
P2 Si Li2 O4 50.2(10) . . . . ?
Li1 Si Li2 O4 -11.3(10) . . . . ?
C25 Si Li2 O3 -4.3(3) . . . . ?
C31 Si Li2 O3 177.9(4) . . . . ?
P1 Si Li2 O3 114.8(3) . . . . ?
P2 Si Li2 O3 -121.8(3) . . . . ?
Li1 Si Li2 O3 176.8(4) . . . . ?
C25 Si Li2 P2 117.49(14) . . . . ?
C31 Si Li2 P2 -60.3(6) . . . . ?
P1 Si Li2 P2 -123.41(16) . . . . ?
Li1 Si Li2 P2 -61.44(16) . . . . ?
C25 Si Li2 P1 -119.10(14) . . . . ?
C31 Si Li2 P1 63.1(6) . . . . ?
P2 Si Li2 P1 123.41(16) . . . . ?
Li1 Si Li2 P1 61.97(16) . . . . ?
C25 Si Li2 Li1 178.93(18) . . . . ?
C31 Si Li2 Li1 1.1(6) . . . . ?
P1 Si Li2 Li1 -61.97(16) . . . . ?
P2 Si Li2 Li1 61.44(16) . . . . ?
O1 Li1 Li2 O4 -24.0(4) . . . . ?
O2 Li1 Li2 O4 91.9(8) . . . . ?
P2 Li1 Li2 O4 120.1(3) . . . . ?
P1 Li1 Li2 O4 -127.1(3) . . . . ?
Si Li1 Li2 O4 176.6(3) . . . . ?
O1 Li1 Li2 O3 119(4) . . . . ?
O2 Li1 Li2 O3 -125(4) . . . . ?
P2 Li1 Li2 O3 -97(4) . . . . ?
P1 Li1 Li2 O3 16(4) . . . . ?
Si Li1 Li2 O3 -40(4) . . . . ?
O1 Li1 Li2 P2 -144.0(3) . . . . ?
O2 Li1 Li2 P2 -28.2(7) . . . . ?
P1 Li1 Li2 P2 112.8(2) . . . . ?
Si Li1 Li2 P2 56.51(12) . . . . ?
O1 Li1 Li2 P1 103.1(3) . . . . ?
O2 Li1 Li2 P1 -141.0(8) . . . . ?
P2 Li1 Li2 P1 -112.8(2) . . . . ?
Si Li1 Li2 P1 -56.32(12) . . . . ?
O1 Li1 Li2 Si 159.4(3) . . . . ?
O2 Li1 Li2 Si -84.7(8) . . . . ?
P2 Li1 Li2 Si -56.51(12) . . . . ?
P1 Li1 Li2 Si 56.32(12) . . . . ?
O4 Li2 O3 C42 6.4(4) . . . . ?
P2 Li2 O3 C42 129.7(4) . . . . ?
P1 Li2 O3 C42 -122.3(4) . . . . ?
Si Li2 O3 C42 -176.1(4) . . . . ?
Li1 Li2 O3 C42 -138(4) . . . . ?
O4 Li2 O3 C41 169.3(5) . . . . ?
P2 Li2 O3 C41 -67.4(6) . . . . ?
P1 Li2 O3 C41 40.7(6) . . . . ?
Si Li2 O3 C41 -13.1(6) . . . . ?
Li1 Li2 O3 C41 25(4) . . . . ?
O3 Li2 O4 C43 5.9(4) . . . . ?
P2 Li2 O4 C43 -126.3(4) . . . . ?
P1 Li2 O4 C43 133.6(4) . . . . ?
Si Li2 O4 C43 -166.8(10) . . . . ?
Li1 Li2 O4 C43 -176.8(4) . . . . ?
O3 Li2 O4 C44 167.8(4) . . . . ?
P2 Li2 O4 C44 35.5(6) . . . . ?
P1 Li2 O4 C44 -64.6(6) . . . . ?
Si Li2 O4 C44 -5.0(13) . . . . ?
Li1 Li2 O4 C44 -14.9(5) . . . . ?
C41 O3 C42 C43 177.6(6) . . . . ?
Li2 O3 C42 C43 -17.1(7) . . . . ?
C44 O4 C43 C42 179.3(5) . . . . ?
Li2 O4 C43 C42 -16.9(7) . . . . ?
O3 C42 C43 O4 22.5(8) . . . . ?
