#------------------------------------------------------------------------------
#$Date: 2016-03-25 09:47:24 +0100 (vie 25 de mar de 2016) $
#$Revision: 179764 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/60/7006020.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_7006020
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         'C36 H100 B2 N6 P2 Rb2 Si4'
_chemical_formula_sum            'C36 H100 B2 N6 P2 Rb2 Si4'
_chemical_formula_weight         984.08
_chemical_name_systematic
;
?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 102.86(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   22.233(6)
_cell_length_b                   9.272(4)
_cell_length_c                   29.117(10)
_cell_measurement_reflns_used    364
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27
_cell_measurement_theta_min      2.50
_cell_volume                     5852(4)
_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    SIR97
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_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  0.0407
_diffrn_reflns_av_sigmaI/netI    0.0240
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            44061
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         4.17
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.837
_exptl_absorpt_correction_T_max  0.556
_exptl_absorpt_correction_T_min  0.463
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.117
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2112
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.32
_refine_diff_density_max         1.360
_refine_diff_density_min         -0.607
_refine_diff_density_rms         0.105
_refine_ls_extinction_coef       0.0016(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.101
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     262
_refine_ls_number_reflns         5129
_refine_ls_number_restraints     14
_refine_ls_restrained_S_all      1.102
_refine_ls_R_factor_all          0.0585
_refine_ls_R_factor_gt           0.0460
_refine_ls_shift/su_max          0.007
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0758P)²+19.0719P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1260
_refine_ls_wR_factor_ref         0.1364
_reflns_number_gt                4294
_reflns_number_total             5129
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            b708279g.txt
_cod_data_source_block           ki262_compound_7
_cod_original_cell_volume        5851(4)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7006020
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Rb Rb 0.460253(16) 0.19827(4) 0.827354(12) 0.02904(17) Uani 1 1 d . . .
P1 P 0.60259(4) 0.43019(10) 0.83626(3) 0.0230(2) Uani 1 1 d . . .
Si1 Si 0.60304(5) 0.45495(12) 0.94158(3) 0.0270(3) Uani 1 1 d . . .
Si2 Si 0.64107(5) 0.17085(12) 0.89814(4) 0.0287(3) Uani 1 1 d . . .
B1 B 0.6043(3) 0.3160(6) 0.78070(16) 0.0367(11) Uani 1 1 d . . .
H1A H 0.6040(19) 0.389(5) 0.7535(15) 0.038(11) Uiso 1 1 d . . .
H1B H 0.567(2) 0.233(5) 0.7733(17) 0.047(13) Uiso 1 1 d . . .
H1C H 0.645(2) 0.248(5) 0.7841(15) 0.037(11) Uiso 1 1 d . . .
N1 N 0.3554(2) 0.3346(4) 0.86246(14) 0.0474(10) Uani 1 1 d . . .
N2 N 0.40563(15) 0.0476(4) 0.90182(11) 0.0407(9) Uani 1 1 d . . .
N3 N 0.38303(19) -0.0749(4) 0.80336(13) 0.0447(9) Uani 1 1 d . . .
C1 C 0.59905(15) 0.3440(4) 0.88873(11) 0.0221(7) Uani 1 1 d . . .
C2 C 0.66868(19) 0.5554(5) 0.84270(15) 0.0392(10) Uani 1 1 d . . .
H2A H 0.6657 0.6292 0.8662 0.059 Uiso 1 1 calc R . .
H2B H 0.6681 0.6018 0.8124 0.059 Uiso 1 1 calc R . .
H2C H 0.7073 0.5016 0.8530 0.059 Uiso 1 1 calc R . .
C3 C 0.53747(18) 0.5550(4) 0.81701(14) 0.0334(9) Uani 1 1 d . . .
H3A H 0.5328 0.6155 0.8436 0.050 Uiso 1 1 calc R . .
H3B H 0.4995 0.4997 0.8056 0.050 Uiso 1 1 calc R . .
H3C H 0.5454 0.6164 0.7916 0.050 Uiso 1 1 calc R . .
C4 C 0.6850(2) 0.4937(6) 0.97561(16) 0.0545(13) Uani 1 1 d . . .
H4A H 0.7060 0.4026 0.9860 0.082 Uiso 1 1 calc R . .
H4B H 0.6837 0.5535 1.0031 0.082 Uiso 1 1 calc R . .
H4C H 0.7074 0.5450 0.9552 0.082 Uiso 1 1 calc R . .
C5 C 0.5617(2) 0.3697(5) 0.98477(14) 0.0404(10) Uani 1 1 d . . .
H5A H 0.5194 0.3456 0.9686 0.061 Uiso 1 1 calc R . .
H5B H 0.5608 0.4377 1.0104 0.061 Uiso 1 1 calc R . .
H5C H 0.5834 0.2818 0.9977 0.061 Uiso 1 1 calc R . .
C6 C 0.5665(2) 0.6407(5) 0.93173(15) 0.0407(10) Uani 1 1 d . . .
H6A H 0.5228 0.6310 0.9162 0.061 Uiso 1 1 calc R . .
H6B H 0.5877 0.6978 0.9118 0.061 Uiso 1 1 calc R . .
H6C H 0.5701 0.6892 0.9621 0.061 Uiso 1 1 calc R . .
C7 C 0.7253(2) 0.1845(5) 0.89365(19) 0.0505(13) Uani 1 1 d . . .
H7A H 0.7457 0.2618 0.9143 0.076 Uiso 1 1 calc R . .
H7B H 0.7272 0.2060 0.8610 0.076 Uiso 1 1 calc R . .
H7C H 0.7462 0.0928 0.9033 0.076 Uiso 1 1 calc R . .
C8 C 0.6457(2) 0.0903(5) 0.95820(15) 0.0412(10) Uani 1 1 d . . .
H8A H 0.6039 0.0723 0.9627 0.062 Uiso 1 1 calc R . .
H8B H 0.6670 0.1576 0.9824 0.062 Uiso 1 1 calc R . .
H8C H 0.6686 -0.0007 0.9608 0.062 Uiso 1 1 calc R . .
C9 C 0.6050(2) 0.0196(5) 0.85731(16) 0.0468(11) Uani 1 1 d . . .
H9A H 0.5665 -0.0113 0.8655 0.070 Uiso 1 1 calc R . .
H9B H 0.6336 -0.0620 0.8606 0.070 Uiso 1 1 calc R . .
H9C H 0.5961 0.0540 0.8247 0.070 Uiso 1 1 calc R . .
C10 C 0.3031(3) 0.3845(9) 0.8238(2) 0.086(2) Uani 1 1 d . . .
H10A H 0.2792 0.3009 0.8094 0.129 Uiso 1 1 calc R . .
H10B H 0.3196 0.4358 0.7998 0.129 Uiso 1 1 calc R . .
H10C H 0.2764 0.4494 0.8368 0.129 Uiso 1 1 calc R . .
C11 C 0.3893(2) 0.4615(5) 0.88189(19) 0.0518(12) Uani 1 1 d . . .
H11A H 0.4278 0.4326 0.9035 0.078 Uiso 1 1 calc R . .
H11B H 0.3643 0.5184 0.8991 0.078 Uiso 1 1 calc R . .
H11C H 0.3988 0.5198 0.8563 0.078 Uiso 1 1 calc R . .
C12 C 0.3293(3) 0.2548(6) 0.8959(2) 0.0676(16) Uani 1 1 d U . .
H12A H 0.3124 0.3238 0.9157 0.081 Uiso 1 1 calc R . .
H12B H 0.2946 0.1956 0.8784 0.081 Uiso 1 1 calc R . .
C13 C 0.3721(3) 0.1640(8) 0.92529(19) 0.0760(19) Uani 1 1 d U . .
H13A H 0.3502 0.1140 0.9468 0.091 Uiso 1 1 calc R . .
H13B H 0.4039 0.2259 0.9450 0.091 Uiso 1 1 calc R . .
C14 C 0.4617(2) 0.0057(5) 0.93521(15) 0.0438(11) Uani 1 1 d . . .
H14A H 0.4857 -0.0599 0.9198 0.066 Uiso 1 1 calc R . .
H14B H 0.4510 -0.0430 0.9622 0.066 Uiso 1 1 calc R . .
H14C H 0.4864 0.0918 0.9461 0.066 Uiso 1 1 calc R . .
C15 C 0.3662(3) -0.0706(7) 0.88598(18) 0.0713(18) Uani 1 1 d U . .
H15A H 0.3235 -0.0338 0.8757 0.086 Uiso 1 1 calc R . .
H15B H 0.3671 -0.1360 0.9130 0.086 Uiso 1 1 calc R . .
C16 C 0.3806(4) -0.1537(6) 0.8480(2) 0.0774(19) Uani 1 1 d U . .
H16A H 0.3495 -0.2314 0.8400 0.093 Uiso 1 1 calc R . .
H16B H 0.4211 -0.2005 0.8599 0.093 Uiso 1 1 calc R . .
C17 C 0.3239(3) -0.0340(9) 0.7765(3) 0.114(3) Uani 1 1 d . . .
H17A H 0.3280 0.0051 0.7461 0.171 Uiso 1 1 calc R . .
H17B H 0.3061 0.0396 0.7937 0.171 Uiso 1 1 calc R . .
H17C H 0.2968 -0.1186 0.7713 0.171 Uiso 1 1 calc R . .
C18 C 0.4162(3) -0.1649(7) 0.7769(2) 0.0763(19) Uani 1 1 d . . .
H18A H 0.3934 -0.2549 0.7682 0.114 Uiso 1 1 calc R . .
H18B H 0.4572 -0.1868 0.7963 0.114 Uiso 1 1 calc R . .
H18C H 0.4206 -0.1140 0.7484 0.114 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'
B B 0.0013 0.0007 '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'
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'
Rb Rb -0.9393 2.9676 '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
H1B Rb N1 148.4(9) . . ?
H1B Rb N2 150.2(9) . . ?
H1B Rb N3 114.8(9) . . ?
N1 Rb N2 59.47(11) . . ?
N1 Rb N3 89.29(11) . . ?
N2 Rb N3 59.33(10) . . ?
B1 P1 C1 119.6(2) . . ?
B1 P1 C2 105.3(2) . . ?
B1 P1 C3 104.4(2) . . ?
C1 P1 C2 112.91(18) . . ?
C1 P1 C3 111.70(18) . . ?
C2 P1 C3 100.9(2) . . ?
C1 Si1 C4 113.81(19) . . ?
C1 Si1 C5 112.57(19) . . ?
C1 Si1 C6 116.25(18) . . ?
C4 Si1 C5 106.5(2) . . ?
C4 Si1 C6 103.6(2) . . ?
C5 Si1 C6 103.0(2) . . ?
C1 Si2 C7 113.79(19) . . ?
C1 Si2 C8 113.81(18) . . ?
C1 Si2 C9 114.82(19) . . ?
C7 Si2 C8 103.8(2) . . ?
C7 Si2 C9 106.9(2) . . ?
C8 Si2 C9 102.5(2) . . ?
P1 B1 H1A 106(2) . . ?
P1 B1 H1B 113(2) . . ?
P1 B1 H1C 114(2) . . ?
H1A B1 H1B 115(3) . . ?
H1A B1 H1C 108(3) . . ?
H1B B1 H1C 101(3) . . ?
Rb N1 C10 113.7(3) . . ?
Rb N1 C11 95.7(3) . . ?
Rb N1 C12 118.0(3) . . ?
C10 N1 C11 107.0(4) . . ?
C10 N1 C12 107.7(5) . . ?
C11 N1 C12 114.0(4) . . ?
Rb N2 C13 107.5(3) . . ?
Rb N2 C14 100.3(2) . . ?
Rb N2 C15 116.0(3) . . ?
C13 N2 C14 108.4(4) . . ?
C13 N2 C15 111.0(4) . . ?
C14 N2 C15 112.8(4) . . ?
Rb N3 C16 109.4(3) . . ?
Rb N3 C17 108.0(4) . . ?
Rb N3 C18 105.9(4) . . ?
C16 N3 C17 113.4(5) . . ?
C16 N3 C18 107.5(4) . . ?
C17 N3 C18 112.4(6) . . ?
P1 C1 Si1 118.3(2) . . ?
P1 C1 Si2 114.15(19) . . ?
Si1 C1 Si2 115.73(18) . . ?
P1 C2 H2A 109.5 . . ?
P1 C2 H2B 109.5 . . ?
P1 C2 H2C 109.5 . . ?
H2A C2 H2B 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
P1 C3 H3A 109.5 . . ?
P1 C3 H3B 109.5 . . ?
P1 C3 H3C 109.5 . . ?
H3A C3 H3B 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
Si1 C4 H4A 109.5 . . ?
Si1 C4 H4B 109.5 . . ?
Si1 C4 H4C 109.5 . . ?
H4A C4 H4B 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
Si1 C5 H5A 109.5 . . ?
Si1 C5 H5B 109.5 . . ?
Si1 C5 H5C 109.5 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
Si1 C6 H6A 109.5 . . ?
Si1 C6 H6B 109.5 . . ?
Si1 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 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 H8A 109.5 . . ?
Si2 C8 H8B 109.5 . . ?
Si2 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
Si2 C9 H9A 109.5 . . ?
Si2 C9 H9B 109.5 . . ?
Si2 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
N1 C10 H10A 109.5 . . ?
N1 C10 H10B 109.5 . . ?
N1 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
N1 C11 H11A 109.5 . . ?
N1 C11 H11B 109.5 . . ?
N1 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
N1 C12 H12A 108.9 . . ?
N1 C12 H12B 108.9 . . ?
N1 C12 C13 113.5(5) . . ?
H12A C12 H12B 107.7 . . ?
H12A C12 C13 108.9 . . ?
H12B C12 C13 108.9 . . ?
N2 C13 C12 118.2(4) . . ?
N2 C13 H13A 107.8 . . ?
N2 C13 H13B 107.8 . . ?
C12 C13 H13A 107.8 . . ?
C12 C13 H13B 107.8 . . ?
H13A C13 H13B 107.1 . . ?
N2 C14 H14A 109.5 . . ?
N2 C14 H14B 109.5 . . ?
N2 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
N2 C15 H15A 108.3 . . ?
N2 C15 H15B 108.3 . . ?
N2 C15 C16 115.9(5) . . ?
H15A C15 H15B 107.4 . . ?
H15A C15 C16 108.3 . . ?
H15B C15 C16 108.3 . . ?
N3 C16 C15 117.5(4) . . ?
N3 C16 H16A 107.9 . . ?
N3 C16 H16B 107.9 . . ?
C15 C16 H16A 107.9 . . ?
C15 C16 H16B 107.9 . . ?
H16A C16 H16B 107.2 . . ?
N3 C17 H17A 109.5 . . ?
N3 C17 H17B 109.5 . . ?
N3 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
N3 C18 H18A 109.5 . . ?
N3 C18 H18B 109.5 . . ?
N3 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 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
Rb H1B 3.14(5) . ?
Rb N1 3.022(4) . ?
Rb N2 3.049(3) . ?
Rb N3 3.052(4) . ?
P1 B1 1.941(5) . ?
P1 C1 1.742(3) . ?
P1 C2 1.849(4) . ?
P1 C3 1.841(4) . ?
Si1 C1 1.837(4) . ?
Si1 C4 1.905(5) . ?
Si1 C5 1.888(4) . ?
Si1 C6 1.899(4) . ?
Si2 C1 1.846(4) . ?
Si2 C7 1.910(5) . ?
Si2 C8 1.883(4) . ?
Si2 C9 1.897(5) . ?
B1 H1A 1.04(4) . ?
B1 H1B 1.12(5) . ?
B1 H1C 1.09(5) . ?
N1 C10 1.501(8) . ?
N1 C11 1.443(6) . ?
N1 C12 1.443(7) . ?
N2 C13 1.554(7) . ?
N2 C14 1.454(5) . ?
N2 C15 1.415(6) . ?
N3 C16 1.504(7) . ?
N3 C17 1.423(8) . ?
N3 C18 1.444(6) . ?
C2 H2A 0.980 . ?
C2 H2B 0.980 . ?
C2 H2C 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 H10A 0.980 . ?
C10 H10B 0.980 . ?
C10 H10C 0.980 . ?
C11 H11A 0.980 . ?
C11 H11B 0.980 . ?
C11 H11C 0.980 . ?
C12 H12A 0.990 . ?
C12 H12B 0.990 . ?
C12 C13 1.408(8) . ?
C13 H13A 0.990 . ?
C13 H13B 0.990 . ?
C14 H14A 0.980 . ?
C14 H14B 0.980 . ?
C14 H14C 0.980 . ?
C15 H15A 0.990 . ?
C15 H15B 0.990 . ?
C15 C16 1.440(8) . ?
C16 H16A 0.990 . ?
C16 H16B 0.990 . ?
C17 H17A 0.980 . ?
C17 H17B 0.980 . ?
C17 H17C 0.980 . ?
C18 H18A 0.980 . ?
C18 H18B 0.980 . ?
C18 H18C 0.980 . ?
