#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:15:29 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179101 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/63/4306346.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_4306346
loop_
_publ_author_name
'David S. Kuiper'
'Peter T. Wolczanski'
'Emil B. Lobkovsky'
'Thomas R. Cundari'
_publ_section_title
;
Four-Coordinate Mo(II) as (silox)2Mo(PMe3)2 and Its W(IV) Congener
(silox)2HW(η2-CH2PMe2)(PMe3) (silox =tBu3SiO)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              10542
_journal_page_last               10553
_journal_paper_doi               10.1021/ic8011958
_journal_volume                  47
_journal_year                    2008
_chemical_formula_moiety         'C30 H72 O2 P2 Si2 W'
_chemical_formula_sum            'C30 H72 O2 P2 Si2 W'
_chemical_formula_weight         766.85
_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                99.970(6)
_cell_angle_beta                 94.754(6)
_cell_angle_gamma                101.066(6)
_cell_formula_units_Z            2
_cell_length_a                   8.6908(9)
_cell_length_b                   13.0276(16)
_cell_length_c                   17.333(2)
_cell_measurement_reflns_used    2092
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      0.00
_cell_measurement_theta_min      0.00
_cell_volume                     1883.1(4)
_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'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Bruker X8 APEX II diffractometer'
_diffrn_measurement_method       'phi and omega 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  0.0914
_diffrn_reflns_av_sigmaI/netI    0.0909
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            32273
_diffrn_reflns_theta_full        24.71
_diffrn_reflns_theta_max         24.71
_diffrn_reflns_theta_min         1.62
_exptl_absorpt_coefficient_mu    3.239
_exptl_absorpt_correction_T_max  0.9234
_exptl_absorpt_correction_T_min  0.5636
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.352
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
_exptl_crystal_F_000             800
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.03
_refine_diff_density_max         1.731
_refine_diff_density_min         -0.952
_refine_diff_density_rms         0.141
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.006
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     375
_refine_ls_number_reflns         6351
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.006
_refine_ls_R_factor_all          0.0660
_refine_ls_R_factor_gt           0.0438
_refine_ls_shift/su_max          0.198
_refine_ls_shift/su_mean         0.009
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0470P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0957
_refine_ls_wR_factor_ref         0.1017
_reflns_number_gt                4775
_reflns_number_total             6351
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic8011958_si_001_3.cif
_cod_data_source_block           dk14
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        1883.2(4)
_cod_database_code               4306346
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
W1 W 0.27743(2) 0.224795(14) 0.321568(10) 0.02757(5) Uani 1 1 d . A .
P1 P 0.45343(14) 0.20099(11) 0.42449(7) 0.0373(4) Uani 1 1 d . . .
P2 P 0.14774(15) 0.34065(11) 0.40072(8) 0.0425(4) Uani 1 1 d . . .
Si1 Si 0.11282(14) -0.04281(10) 0.24239(7) 0.0296(3) Uani 1 1 d . A .
Si2 Si 0.36855(15) 0.37026(10) 0.17179(7) 0.0303(3) Uani 1 1 d . A .
O1 O 0.2211(3) 0.0784(2) 0.26854(18) 0.0360(9) Uani 1 1 d . . .
O2 O 0.3045(4) 0.3045(2) 0.23890(17) 0.0412(9) Uani 1 1 d . . .
C1 C 0.5004(7) 0.3237(5) 0.3914(4) 0.080(2) Uani 1 1 d . A .
H1A H 0.5944 0.3344 0.3628 0.096 Uiso 1 1 calc R . .
H1B H 0.4903 0.3884 0.4284 0.096 Uiso 1 1 calc R . .
C2 C 0.4707(12) 0.2258(7) 0.5302(5) 0.029(3) Uani 0.483(10) 1 d P A 1
H2A H 0.5653 0.2041 0.5508 0.044 Uiso 0.483(10) 1 calc PR A 1
H2B H 0.3771 0.1848 0.5472 0.044 Uiso 0.483(10) 1 calc PR A 1
H2C H 0.4790 0.3020 0.5502 0.044 Uiso 0.483(10) 1 calc PR A 1
C2' C 0.4171(14) 0.1690(12) 0.5234(6) 0.074(5) Uani 0.517(10) 1 d P A 2
H2'A H 0.5165 0.1630 0.5516 0.111 Uiso 0.517(10) 1 calc PR A 2
H2'B H 0.3405 0.1013 0.5165 0.111 Uiso 0.517(10) 1 calc PR A 2
H2'C H 0.3753 0.2259 0.5539 0.111 Uiso 0.517(10) 1 calc PR A 2
C3 C 0.5950(6) 0.1188(5) 0.3997(3) 0.0636(17) Uani 1 1 d . A .
H3A H 0.6943 0.1480 0.4345 0.095 Uiso 1 1 calc R . .
H3B H 0.6144 0.1179 0.3447 0.095 Uiso 1 1 calc R . .
H3C H 0.5530 0.0459 0.4065 0.095 Uiso 1 1 calc R . .
C4 C -0.0429(7) 0.3453(6) 0.3574(4) 0.096(2) Uani 1 1 d . A .
H4A H -0.1164 0.2781 0.3573 0.144 Uiso 1 1 calc R . .
H4B H -0.0372 0.3561 0.3030 0.144 Uiso 1 1 calc R . .
H4C H -0.0801 0.4044 0.3879 0.144 Uiso 1 1 calc R . .
C5 C 0.2082(10) 0.4891(6) 0.4144(5) 0.136(4) Uani 1 1 d . A .
H5A H 0.1190 0.5213 0.4290 0.205 Uiso 1 1 calc R . .
H5B H 0.2400 0.5085 0.3650 0.205 Uiso 1 1 calc R . .
H5C H 0.2970 0.5153 0.4563 0.205 Uiso 1 1 calc R . .
C6 C 0.0921(13) 0.3145(11) 0.4927(7) 0.089(4) Uani 0.553(10) 1 d P A 1
H6'A H 0.0400 0.3703 0.5169 0.133 Uiso 0.553(10) 1 calc PR A 1
H6'B H 0.1863 0.3137 0.5276 0.133 Uiso 0.553(10) 1 calc PR A 1
H6'C H 0.0191 0.2451 0.4844 0.133 Uiso 0.553(10) 1 calc PR A 1
C6' C 0.1899(18) 0.3798(14) 0.5075(7) 0.107(5) Uani 0.447(10) 1 d P A 2
H6A H 0.1245 0.4299 0.5269 0.161 Uiso 0.447(10) 1 calc PR A 2
H6B H 0.3017 0.4141 0.5218 0.161 Uiso 0.447(10) 1 calc PR A 2
H6C H 0.1662 0.3165 0.5314 0.161 Uiso 0.447(10) 1 calc PR A 2
C7 C 0.0580(5) -0.0991(4) 0.3347(3) 0.0485(15) Uani 1 1 d . . .
C8 C -0.0731(6) -0.0519(5) 0.3734(3) 0.0722(19) Uani 1 1 d . A .
H8A H -0.1724 -0.0759 0.3380 0.108 Uiso 1 1 calc R . .
H8B H -0.0434 0.0261 0.3834 0.108 Uiso 1 1 calc R . .
H8C H -0.0869 -0.0759 0.4235 0.108 Uiso 1 1 calc R . .
C9 C 0.2022(6) -0.0673(5) 0.3991(3) 0.0745(19) Uani 1 1 d . A .
H9A H 0.1734 -0.0948 0.4463 0.112 Uiso 1 1 calc R . .
H9B H 0.2350 0.0105 0.4125 0.112 Uiso 1 1 calc R . .
H9C H 0.2895 -0.0976 0.3793 0.112 Uiso 1 1 calc R . .
C10 C 0.0065(7) -0.2205(4) 0.3154(4) 0.0761(19) Uani 1 1 d . A .
H10A H -0.0179 -0.2469 0.3636 0.114 Uiso 1 1 calc R . .
H10B H 0.0920 -0.2513 0.2939 0.114 Uiso 1 1 calc R . .
H10C H -0.0877 -0.2412 0.2764 0.114 Uiso 1 1 calc R . .
C11 C 0.2398(5) -0.1247(4) 0.1834(3) 0.0361(13) Uani 1 1 d . . .
C12 C 0.3696(6) -0.1515(4) 0.2373(4) 0.0595(17) Uani 1 1 d . A .
H12A H 0.3211 -0.1994 0.2705 0.089 Uiso 1 1 calc R . .
H12B H 0.4314 -0.0858 0.2709 0.089 Uiso 1 1 calc R . .
H12C H 0.4391 -0.1865 0.2050 0.089 Uiso 1 1 calc R . .
C13 C 0.1467(7) -0.2286(4) 0.1325(4) 0.0662(19) Uani 1 1 d . A .
H13A H 0.0737 -0.2131 0.0921 0.099 Uiso 1 1 calc R . .
H13B H 0.0868 -0.2714 0.1657 0.099 Uiso 1 1 calc R . .
H13C H 0.2198 -0.2684 0.1071 0.099 Uiso 1 1 calc R . .
C14 C 0.3283(6) -0.0593(4) 0.1301(3) 0.0483(15) Uani 1 1 d . A .
H14A H 0.3950 -0.1012 0.1011 0.072 Uiso 1 1 calc R . .
H14B H 0.3946 0.0060 0.1622 0.072 Uiso 1 1 calc R . .
H14C H 0.2525 -0.0407 0.0927 0.072 Uiso 1 1 calc R . .
C15 C -0.0734(5) -0.0330(3) 0.1801(3) 0.0306(12) Uani 1 1 d . . .
C16 C -0.0366(6) -0.0106(4) 0.0981(3) 0.0427(15) Uani 1 1 d . A .
H16A H -0.1310 0.0024 0.0697 0.064 Uiso 1 1 calc R . .
H16B H -0.0048 -0.0724 0.0680 0.064 Uiso 1 1 calc R . .
H16C H 0.0493 0.0522 0.1047 0.064 Uiso 1 1 calc R . .
C17 C -0.1431(5) 0.0595(4) 0.2187(3) 0.0423(14) Uani 1 1 d . A .
H17A H -0.2344 0.0658 0.1841 0.063 Uiso 1 1 calc R . .
H17B H -0.0630 0.1259 0.2275 0.063 Uiso 1 1 calc R . .
H17C H -0.1765 0.0462 0.2694 0.063 Uiso 1 1 calc R . .
C18 C -0.2031(6) -0.1345(4) 0.1650(3) 0.0501(16) Uani 1 1 d . A .
H18A H -0.2349 -0.1499 0.2154 0.075 Uiso 1 1 calc R . .
H18B H -0.1629 -0.1944 0.1375 0.075 Uiso 1 1 calc R . .
H18C H -0.2945 -0.1243 0.1324 0.075 Uiso 1 1 calc R . .
C19 C 0.4738(5) 0.2799(3) 0.1058(3) 0.0292(12) Uani 1 1 d . . .
C20 C 0.5836(5) 0.2300(4) 0.1555(3) 0.0432(15) Uani 1 1 d . A .
H20A H 0.6216 0.1748 0.1210 0.065 Uiso 1 1 calc R . .
H20B H 0.5252 0.1982 0.1946 0.065 Uiso 1 1 calc R . .
H20C H 0.6738 0.2854 0.1827 0.065 Uiso 1 1 calc R . .
C21 C 0.3516(6) 0.1861(4) 0.0566(3) 0.0427(15) Uani 1 1 d . A .
H21A H 0.2823 0.2125 0.0207 0.064 Uiso 1 1 calc R . .
H21B H 0.2884 0.1491 0.0918 0.064 Uiso 1 1 calc R . .
H21C H 0.4057 0.1365 0.0259 0.064 Uiso 1 1 calc R . .
C22 C 0.5701(6) 0.3328(4) 0.0488(3) 0.0542(16) Uani 1 1 d . A .
H22A H 0.6212 0.2810 0.0185 0.081 Uiso 1 1 calc R . .
H22B H 0.6508 0.3930 0.0785 0.081 Uiso 1 1 calc R . .
H22C H 0.5004 0.3587 0.0127 0.081 Uiso 1 1 calc R . .
C23 C 0.1823(5) 0.3948(3) 0.1167(3) 0.0335(12) Uani 1 1 d . . .
C24 C 0.2043(6) 0.4251(4) 0.0368(3) 0.0442(14) Uani 1 1 d . A .
H24A H 0.2258 0.3644 0.0004 0.066 Uiso 1 1 calc R . .
H24B H 0.2934 0.4860 0.0429 0.066 Uiso 1 1 calc R . .
H24C H 0.1080 0.4444 0.0156 0.066 Uiso 1 1 calc R . .
C25 C 0.1234(6) 0.4866(4) 0.1669(3) 0.0583(17) Uani 1 1 d . A .
H25A H 0.2046 0.5524 0.1751 0.087 Uiso 1 1 calc R . .
H25B H 0.1023 0.4685 0.2181 0.087 Uiso 1 1 calc R . .
H25C H 0.0262 0.4972 0.1394 0.087 Uiso 1 1 calc R . .
C26 C 0.0474(5) 0.2971(4) 0.1054(3) 0.0468(15) Uani 1 1 d . A .
H26A H -0.0470 0.3115 0.0779 0.070 Uiso 1 1 calc R . .
H26B H 0.0245 0.2813 0.1570 0.070 Uiso 1 1 calc R . .
H26C H 0.0782 0.2358 0.0740 0.070 Uiso 1 1 calc R . .
C27 C 0.5147(7) 0.5001(4) 0.2171(4) 0.064(2) Uani 1 1 d . . .
C28 C 0.5400(7) 0.5782(4) 0.1586(4) 0.077(2) Uani 1 1 d . A .
H28A H 0.4425 0.6032 0.1479 0.115 Uiso 1 1 calc R . .
H28B H 0.5681 0.5414 0.1092 0.115 Uiso 1 1 calc R . .
H28C H 0.6255 0.6393 0.1820 0.115 Uiso 1 1 calc R . .
C29 C 0.4633(9) 0.5578(5) 0.2915(4) 0.102(3) Uani 1 1 d . A .
H29A H 0.5315 0.6289 0.3079 0.152 Uiso 1 1 calc R . .
H29B H 0.4716 0.5172 0.3336 0.152 Uiso 1 1 calc R . .
H29C H 0.3536 0.5646 0.2807 0.152 Uiso 1 1 calc R . .
C30 C 0.6791(7) 0.4819(5) 0.2443(4) 0.094(3) Uani 1 1 d . A .
H30A H 0.7486 0.5504 0.2687 0.141 Uiso 1 1 calc R . .
H30B H 0.7240 0.4488 0.1987 0.141 Uiso 1 1 calc R . .
H30C H 0.6693 0.4348 0.2829 0.141 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'
O O 0.0106 0.0060 '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'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
W W -0.8490 6.8722 '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
O2 W1 O1 104.87(13) . . ?
O2 W1 C1 91.04(19) . . ?
O1 W1 C1 132.33(19) . . ?
O2 W1 P1 132.79(9) . . ?
O1 W1 P1 96.84(9) . . ?
C1 W1 P1 45.47(17) . . ?
O2 W1 P2 96.83(10) . . ?
O1 W1 P2 134.62(9) . . ?
C1 W1 P2 85.56(18) . . ?
P1 W1 P2 96.74(5) . . ?
C1 P1 C2 109.7(4) . . ?
C1 P1 C3 111.4(3) . . ?
C2 P1 C3 104.5(4) . . ?
C1 P1 C2' 132.3(5) . . ?
C2 P1 C2' 24.4(5) . . ?
C3 P1 C2' 99.2(5) . . ?
C1 P1 W1 63.7(2) . . ?
C2 P1 W1 136.4(3) . . ?
C3 P1 W1 118.23(18) . . ?
C2' P1 W1 130.5(4) . . ?
C4 P2 C6 97.1(4) . . ?
C4 P2 C6' 117.3(5) . . ?
C6 P2 C6' 34.3(6) . . ?
C4 P2 C5 90.1(4) . . ?
C6 P2 C5 105.7(5) . . ?
C6' P2 C5 78.1(6) . . ?
C4 P2 W1 114.1(2) . . ?
C6 P2 W1 120.8(4) . . ?
C6' P2 W1 124.2(5) . . ?
C5 P2 W1 122.1(3) . . ?
O1 Si1 C15 106.93(18) . . ?
O1 Si1 C11 105.69(18) . . ?
C15 Si1 C11 112.4(2) . . ?
O1 Si1 C7 110.14(19) . . ?
C15 Si1 C7 110.1(2) . . ?
C11 Si1 C7 111.4(2) . . ?
O2 Si2 C27 111.9(2) . . ?
O2 Si2 C19 106.41(18) . . ?
C27 Si2 C19 108.9(2) . . ?
O2 Si2 C23 104.97(18) . . ?
C27 Si2 C23 112.1(2) . . ?
C19 Si2 C23 112.41(19) . . ?
Si1 O1 W1 157.2(2) . . ?
Si2 O2 W1 167.2(2) . . ?
P1 C1 W1 70.8(2) . . ?
C10 C7 C8 109.0(4) . . ?
C10 C7 C9 108.9(5) . . ?
C8 C7 C9 104.9(4) . . ?
C10 C7 Si1 111.3(4) . . ?
C8 C7 Si1 112.8(4) . . ?
C9 C7 Si1 109.6(3) . . ?
C14 C11 C13 108.2(4) . . ?
C14 C11 C12 104.7(4) . . ?
C13 C11 C12 107.7(4) . . ?
C14 C11 Si1 110.0(3) . . ?
C13 C11 Si1 114.0(3) . . ?
C12 C11 Si1 111.7(3) . . ?
C17 C15 C18 108.0(4) . . ?
C17 C15 C16 106.3(4) . . ?
C18 C15 C16 106.4(4) . . ?
C17 C15 Si1 111.0(3) . . ?
C18 C15 Si1 113.8(3) . . ?
C16 C15 Si1 111.1(3) . . ?
C22 C19 C21 107.3(4) . . ?
C22 C19 C20 107.9(4) . . ?
C21 C19 C20 105.6(4) . . ?
C22 C19 Si2 115.3(3) . . ?
C21 C19 Si2 109.3(3) . . ?
C20 C19 Si2 110.9(3) . . ?
C24 C23 C26 108.7(4) . . ?
C24 C23 C25 106.8(4) . . ?
C26 C23 C25 105.7(4) . . ?
C24 C23 Si2 114.7(3) . . ?
C26 C23 Si2 110.7(3) . . ?
C25 C23 Si2 109.8(3) . . ?
C29 C27 C30 104.3(5) . . ?
C29 C27 C28 108.2(5) . . ?
C30 C27 C28 106.6(5) . . ?
C29 C27 Si2 112.1(5) . . ?
C30 C27 Si2 112.6(4) . . ?
C28 C27 Si2 112.5(4) . . ?
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
W1 O2 1.914(3) . ?
W1 O1 1.918(3) . ?
W1 C1 2.235(6) . ?
W1 P1 2.3537(13) . ?
W1 P2 2.3713(13) . ?
P1 C1 1.777(7) . ?
P1 C2 1.793(9) . ?
P1 C3 1.811(5) . ?
P1 C2' 1.871(12) . ?
P2 C4 1.778(6) . ?
P2 C6 1.773(11) . ?
P2 C6' 1.820(13) . ?
P2 C5 1.872(7) . ?
Si1 O1 1.642(3) . ?
Si1 C15 1.908(4) . ?
Si1 C11 1.913(5) . ?
Si1 C7 1.930(5) . ?
Si2 O2 1.633(3) . ?
Si2 C27 1.908(5) . ?
Si2 C19 1.911(5) . ?
Si2 C23 1.919(5) . ?
C7 C10 1.528(7) . ?
C7 C8 1.542(7) . ?
C7 C9 1.548(7) . ?
C11 C14 1.519(7) . ?
C11 C13 1.521(6) . ?
C11 C12 1.536(7) . ?
C15 C17 1.528(6) . ?
C15 C18 1.533(6) . ?
C15 C16 1.545(7) . ?
C19 C22 1.517(7) . ?
C19 C21 1.530(6) . ?
C19 C20 1.540(6) . ?
C23 C24 1.521(7) . ?
C23 C26 1.528(6) . ?
C23 C25 1.549(7) . ?
C27 C29 1.522(9) . ?
C27 C30 1.542(8) . ?
C27 C28 1.556(9) . ?
