#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/20/7012071.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_7012071
loop_
_publ_author_name
'Sugawara, Ken-ichiro'
'Hikichi, Shiro'
'Akita, Munetaka'
_publ_section_title
;
 Di- and tri-valent chlorochromium complexes bearing
 hydrotris(3,5-diisopropylpyrazolyl)borato ligand (TpiPr2),
 TpiPr2CrCln(L) (n = 1, 2) and [TpiPr2Cr(μ-Cl)]2:
 flexible coordination behavior of the TpiPr2 ligand and reduction
 features of Cr(ii) species
;
_journal_issue                   23
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              4514
_journal_paper_doi               10.1039/b207326a
_journal_year                    2002
_chemical_formula_moiety         'C36 H64 B Cl Cr N8 '
_chemical_formula_sum            'C36 H64 B Cl Cr N8'
_chemical_formula_weight         707.21
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_date             'Tue Jul 16 02:53:06 2002'
_audit_creation_method           'by teXsan'
_cell_angle_alpha                92.709(4)
_cell_angle_beta                 101.804(7)
_cell_angle_gamma                103.243(1)
_cell_formula_units_Z            2
_cell_length_a                   11.9100(8)
_cell_length_b                   17.384(2)
_cell_length_c                   10.5505(9)
_cell_measurement_reflns_used    4563
_cell_measurement_temperature    213
_cell_measurement_theta_max      27.4
_cell_measurement_theta_min      2.0
_cell_volume                     2071.2(3)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  SHELXL97
_computing_structure_solution    SHELXS86
_diffrn_detector_area_resol_mean 10.00
_diffrn_measurement_device_type  'Rigaku RAXIS-IV Imaging Plate'
_diffrn_measurement_method       ω
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.000
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            14936
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.374
_exptl_absorpt_correction_T_max  0.963
_exptl_absorpt_correction_T_min  0.790
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Higashi, 1995)'
_exptl_crystal_colour            unknown
_exptl_crystal_density_diffrn    1.134
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       unknown
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.59
_refine_diff_density_min         -0.40
_refine_ls_extinction_coef       0.0000
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.900
_refine_ls_number_parameters     456
_refine_ls_number_reflns         4570
_refine_ls_R_factor_gt           0.0713
_refine_ls_shift/su_max          0.0040
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[σ²(Fo²) + (0.1000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1820
_reflns_number_gt                4570
_reflns_number_total             8175
_reflns_threshold_expression     >2.0sigma(I)
_cod_data_source_file            b207326a.txt
_cod_data_source_block           compound5
_cod_original_sg_symbol_H-M      'P -1         '
_cod_original_formula_sum        'C36 H64 B Cl Cr N8 '
_cod_database_code               7012071
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_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Cr(1) Cr 0.70607(6) 0.72468(4) 0.01818(6) 0.0260(2) Uani 1.00 d . . .
Cl(1) Cl 0.50712(9) 0.61463(6) 0.0076(1) 0.0368(3) Uani 1.00 d . . .
N(11) N 0.6516(3) 0.8157(2) -0.0829(3) 0.0276(7) Uani 1.00 d . . .
N(12) N 0.7319(3) 0.8623(2) -0.1420(3) 0.0277(7) Uani 1.00 d . . .
N(21) N 0.7642(3) 0.6926(2) -0.1452(3) 0.0285(7) Uani 1.00 d . . .
N(22) N 0.8240(3) 0.7539(2) -0.2034(3) 0.0275(7) Uani 1.00 d . . .
N(31) N 0.8015(3) 0.6489(2) 0.1243(3) 0.0332(8) Uani 1.00 d . . .
N(32) N 0.7430(4) 0.5789(2) 0.1605(3) 0.0337(8) Uani 1.00 d . . .
N(41) N 0.6778(3) 0.7770(2) 0.1930(3) 0.0305(8) Uani 1.00 d . . .
N(42) N 0.5931(3) 0.7344(2) 0.2490(3) 0.0360(9) Uani 1.00 d . . .
C(11) C 0.4464(4) 0.8091(3) -0.0534(4) 0.036(1) Uani 1.00 d . . .
C(12) C 0.3406(5) 0.7811(4) -0.1639(5) 0.085(2) Uani 1.00 d . . .
C(13) C 0.4219(5) 0.8655(3) 0.0456(5) 0.064(2) Uani 1.00 d . . .
C(14) C 0.5550(4) 0.8454(2) -0.1016(4) 0.0291(9) Uani 1.00 d . . .
C(15) C 0.5732(4) 0.9115(2) -0.1727(4) 0.0334(9) Uani 1.00 d . . .
C(16) C 0.6855(4) 0.9202(2) -0.1969(4) 0.0308(9) Uani 1.00 d . . .
C(17) C 0.7557(4) 0.9833(2) -0.2622(4) 0.039(1) Uani 1.00 d . . .
C(18) C 0.8488(4) 1.0435(3) -0.1605(5) 0.048(1) Uani 1.00 d . . .
C(19) C 0.6762(5) 1.0242(3) -0.3515(4) 0.052(1) Uani 1.00 d . . .
C(21) C 0.6932(4) 0.5447(2) -0.1849(4) 0.038(1) Uani 1.00 d . . .
C(22) C 0.7759(5) 0.4900(3) -0.1556(6) 0.072(2) Uani 1.00 d . . .
C(23) C 0.5867(5) 0.5069(3) -0.2926(5) 0.075(2) Uani 1.00 d . . .
C(24) C 0.7561(4) 0.6243(2) -0.2160(4) 0.0323(9) Uani 1.00 d . . .
C(25) C 0.8120(4) 0.6414(2) -0.3195(4) 0.035(1) Uani 1.00 d . . .
C(26) C 0.8517(3) 0.7225(2) -0.3103(3) 0.0280(9) Uani 1.00 d . . .
C(27) C 0.9142(4) 0.7736(2) -0.3989(4) 0.0347(10) Uani 1.00 d . . .
C(28) C 1.0468(4) 0.8013(3) -0.3426(5) 0.049(1) Uani 1.00 d . . .
C(29) C 0.8889(5) 0.7291(3) -0.5337(4) 0.055(1) Uani 1.00 d . . .
C(31) C 1.0116(4) 0.7177(3) 0.1368(4) 0.044(1) Uani 1.00 d . . .
C(32) C 1.0528(4) 0.6966(3) 0.0141(5) 0.063(2) Uani 1.00 d . . .
C(33) C 1.1171(4) 0.7403(3) 0.2527(5) 0.059(1) Uani 1.00 d . . .
C(34) C 0.9170(4) 0.6506(2) 0.1617(4) 0.0347(10) Uani 1.00 d . . .
C(35) C 0.9302(4) 0.5819(3) 0.2202(4) 0.037(1) Uani 1.00 d . . .
C(36) C 0.8182(4) 0.5365(2) 0.2171(4) 0.0346(10) Uani 1.00 d . . .
C(37) C 0.7770(4) 0.4583(2) 0.2677(4) 0.042(1) Uani 1.00 d . . .
C(38) C 0.8723(6) 0.4137(3) 0.2870(7) 0.087(2) Uani 1.00 d . . .
C(39) C 0.7411(7) 0.4695(4) 0.3945(7) 0.103(3) Uani 1.00 d . . .
C(41) C 0.8167(4) 0.9109(3) 0.2359(4) 0.042(1) Uani 1.00 d . . .
C(42) C 0.9141(4) 0.9456(3) 0.3549(4) 0.056(1) Uani 1.00 d . . .
C(43) C 0.7653(5) 0.9769(3) 0.1755(5) 0.071(2) Uani 1.00 d . . .
C(44) C 0.7222(4) 0.8462(3) 0.2679(4) 0.0348(10) Uani 1.00 d . . .
C(45) C 0.6640(4) 0.8457(3) 0.3704(4) 0.043(1) Uani 1.00 d . . .
C(46) C 0.5821(4) 0.7745(3) 0.3559(4) 0.039(1) Uani 1.00 d . . .
C(47) C 0.4923(5) 0.7387(3) 0.4319(4) 0.051(1) Uani 1.00 d . . .
C(48) C 0.5485(6) 0.7105(5) 0.5524(6) 0.112(3) Uani 1.00 d . . .
C(49) C 0.4232(6) 0.7955(4) 0.4640(7) 0.099(2) Uani 1.00 d . . .
B(1) B 0.8523(4) 0.8393(3) -0.1373(5) 0.030(1) Uani 1.00 d . . .
H(1) H 0.896(3) 0.841(2) -0.027(3) 0.0202(1) Uiso 1.00 calc . . .
H(01) H 0.673(5) 0.558(3) 0.125(5) 0.0923(3) Uiso 1.00 calc . . .
H(2) H 0.908(3) 0.876(2) -0.186(3) 0.0194(1) Uiso 1.00 calc . . .
H(02) H 0.551(4) 0.692(3) 0.198(4) 0.0598(2) Uiso 1.00 calc . . .
H(3) H 0.4597 0.7627 -0.0114 0.0447 Uiso 1.00 calc . . .
H(4) H 0.3222 0.8259 -0.2059 0.0848 Uiso 1.00 calc . . .
H(5) H 0.2743 0.7540 -0.1312 0.0848 Uiso 1.00 calc . . .
H(6) H 0.3576 0.7454 -0.2255 0.0848 Uiso 1.00 calc . . .
H(7) H 0.4918 0.8850 0.1132 0.0638 Uiso 1.00 calc . . .
H(8) H 0.3587 0.8380 0.0827 0.0638 Uiso 1.00 calc . . .
H(9) H 0.3997 0.9093 0.0036 0.0638 Uiso 1.00 calc . . .
H(10) H 0.5183 0.9444 -0.2003 0.0421 Uiso 1.00 calc . . .
H(11) H 0.7964 0.9584 -0.3158 0.0463 Uiso 1.00 calc . . .
H(12) H 0.9000 1.0164 -0.1077 0.0482 Uiso 1.00 calc . . .
H(13) H 0.8101 1.0696 -0.1065 0.0482 Uiso 1.00 calc . . .
H(14) H 0.8946 1.0822 -0.2038 0.0482 Uiso 1.00 calc . . .
H(15) H 0.6347 1.0506 -0.3013 0.0521 Uiso 1.00 calc . . .
H(16) H 0.6202 0.9855 -0.4155 0.0521 Uiso 1.00 calc . . .
H(17) H 0.7233 1.0625 -0.3942 0.0521 Uiso 1.00 calc . . .
H(18) H 0.6637 0.5537 -0.1074 0.0508 Uiso 1.00 calc . . .
H(19) H 0.7337 0.4408 -0.1318 0.0724 Uiso 1.00 calc . . .
H(20) H 0.8410 0.5147 -0.0850 0.0724 Uiso 1.00 calc . . .
H(21) H 0.8052 0.4799 -0.2313 0.0724 Uiso 1.00 calc . . .
H(22) H 0.5375 0.5434 -0.3112 0.0749 Uiso 1.00 calc . . .
H(23) H 0.5425 0.4595 -0.2656 0.0749 Uiso 1.00 calc . . .
H(24) H 0.6126 0.4936 -0.3694 0.0749 Uiso 1.00 calc . . .
H(25) H 0.8194 0.6038 -0.3856 0.0423 Uiso 1.00 calc . . .
H(26) H 0.8825 0.8199 -0.4085 0.0433 Uiso 1.00 calc . . .
H(27) H 1.0807 0.7562 -0.3372 0.0495 Uiso 1.00 calc . . .
H(28) H 1.0606 0.8281 -0.2572 0.0495 Uiso 1.00 calc . . .
H(29) H 1.0827 0.8369 -0.3979 0.0495 Uiso 1.00 calc . . .
H(30) H 0.8050 0.7096 -0.5651 0.0553 Uiso 1.00 calc . . .
H(31) H 0.9256 0.6853 -0.5286 0.0553 Uiso 1.00 calc . . .
H(32) H 0.9201 0.7644 -0.5922 0.0553 Uiso 1.00 calc . . .
H(33) H 0.9770 0.7638 0.1208 0.0565 Uiso 1.00 calc . . .
H(34) H 1.0902 0.6533 0.0278 0.0630 Uiso 1.00 calc . . .
H(35) H 1.1083 0.7419 -0.0041 0.0630 Uiso 1.00 calc . . .
H(36) H 0.9859 0.6813 -0.0581 0.0630 Uiso 1.00 calc . . .
H(37) H 1.1537 0.6966 0.2651 0.0586 Uiso 1.00 calc . . .
H(38) H 1.0905 0.7526 0.3295 0.0586 Uiso 1.00 calc . . .
H(39) H 1.1733 0.7858 0.2365 0.0586 Uiso 1.00 calc . . .
H(40) H 1.0042 0.5685 0.2575 0.0491 Uiso 1.00 calc . . .
H(41) H 0.7104 0.4269 0.2032 0.0529 Uiso 1.00 calc . . .
H(42) H 0.8409 0.3611 0.3083 0.0873 Uiso 1.00 calc . . .
H(43) H 0.9365 0.4410 0.3566 0.0873 Uiso 1.00 calc . . .
H(44) H 0.9004 0.4103 0.2083 0.0873 Uiso 1.00 calc . . .
H(45) H 0.8091 0.4971 0.4597 0.1031 Uiso 1.00 calc . . .
H(46) H 0.7088 0.4186 0.4211 0.1031 Uiso 1.00 calc . . .
H(47) H 0.6826 0.4999 0.3837 0.1031 Uiso 1.00 calc . . .
H(48) H 0.8509 0.8881 0.1720 0.0490 Uiso 1.00 calc . . .
H(49) H 0.9481 0.9043 0.3909 0.0556 Uiso 1.00 calc . . .
H(50) H 0.8817 0.9692 0.4186 0.0556 Uiso 1.00 calc . . .
H(51) H 0.9741 0.9854 0.3305 0.0556 Uiso 1.00 calc . . .
H(52) H 0.8263 1.0150 0.1493 0.0709 Uiso 1.00 calc . . .
H(53) H 0.7344 1.0026 0.2382 0.0709 Uiso 1.00 calc . . .
H(54) H 0.7030 0.9546 0.1008 0.0709 Uiso 1.00 calc . . .
H(55) H 0.6790 0.8882 0.4391 0.0510 Uiso 1.00 calc . . .
H(56) H 0.4387 0.6938 0.3794 0.0609 Uiso 1.00 calc . . .
H(57) H 0.4892 0.6875 0.5982 0.1122 Uiso 1.00 calc . . .
H(58) H 0.6046 0.7544 0.6064 0.1122 Uiso 1.00 calc . . .
H(59) H 0.5886 0.6712 0.5312 0.1122 Uiso 1.00 calc . . .
H(60) H 0.4756 0.8404 0.5191 0.0992 Uiso 1.00 calc . . .
H(61) H 0.3644 0.7696 0.5083 0.0992 Uiso 1.00 calc . . .
H(62) H 0.3853 0.8130 0.3852 0.0992 Uiso 1.00 calc . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.003 0.002
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.000 0.000
;International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.4)
;
Cr Cr 0.321 0.624
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
B B 0.001 0.001
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
N N 0.006 0.003
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Cl Cl 0.148 0.159
;International Tables for Crystallography
(1992, 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_2
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N(11) Cr(1) N(21) 87.5(1) . . . yes
N(11) Cr(1) N(31) 166.8(1) . . . yes
N(11) Cr(1) N(41) 89.6(1) . . . yes
N(21) Cr(1) N(31) 88.6(1) . . . yes
N(21) Cr(1) N(41) 168.4(1) . . . yes
N(31) Cr(1) N(41) 91.7(1) . . . yes
Cr(1) N(11) N(12) 117.0(3) . . . yes
Cr(1) N(11) C(14) 135.9(3) . . . yes
N(12) N(11) C(14) 107.0(3) . . . yes
N(11) N(12) C(16) 109.5(3) . . . yes
N(11) N(12) B(1) 117.5(3) . . . yes
C(16) N(12) B(1) 132.9(3) . . . yes
Cr(1) N(21) N(22) 116.6(2) . . . yes
Cr(1) N(21) C(24) 135.9(3) . . . yes
N(22) N(21) C(24) 107.5(3) . . . yes
N(21) N(22) C(26) 108.6(3) . . . yes
N(21) N(22) B(1) 118.5(3) . . . yes
C(26) N(22) B(1) 132.8(3) . . . yes
Cr(1) N(31) N(32) 120.8(3) . . . yes
Cr(1) N(31) C(34) 133.7(3) . . . yes
N(32) N(31) C(34) 105.4(3) . . . yes
N(31) N(32) C(36) 112.0(4) . . . yes
Cr(1) N(41) N(42) 118.0(2) . . . yes
Cr(1) N(41) C(44) 136.2(3) . . . yes
N(42) N(41) C(44) 105.7(3) . . . yes
N(41) N(42) C(46) 112.2(3) . . . yes
C(12) C(11) C(13) 110.6(4) . . . yes
C(12) C(11) C(14) 111.3(4) . . . yes
C(13) C(11) C(14) 111.9(3) . . . yes
N(11) C(14) C(11) 122.8(4) . . . yes
N(11) C(14) C(15) 109.5(4) . . . yes
C(11) C(14) C(15) 127.7(4) . . . yes
C(14) C(15) C(16) 105.8(4) . . . yes
N(12) C(16) C(15) 108.1(3) . . . yes
N(12) C(16) C(17) 121.7(4) . . . yes
C(15) C(16) C(17) 130.1(4) . . . yes
C(16) C(17) C(18) 110.5(3) . . . yes
C(16) C(17) C(19) 111.6(4) . . . yes
C(18) C(17) C(19) 111.1(4) . . . yes
C(22) C(21) C(23) 111.3(4) . . . yes
C(22) C(21) C(24) 111.8(4) . . . yes
C(23) C(21) C(24) 111.2(4) . . . yes
N(21) C(24) C(21) 122.9(4) . . . yes
N(21) C(24) C(25) 109.0(3) . . . yes
C(21) C(24) C(25) 128.1(4) . . . yes
C(24) C(25) C(26) 106.5(4) . . . yes
N(22) C(26) C(25) 108.4(3) . . . yes
N(22) C(26) C(27) 122.4(3) . . . yes
C(25) C(26) C(27) 129.2(4) . . . yes
C(26) C(27) C(28) 111.7(3) . . . yes
C(26) C(27) C(29) 110.3(3) . . . yes
C(28) C(27) C(29) 110.9(4) . . . yes
C(32) C(31) C(33) 109.8(4) . . . yes
C(32) C(31) C(34) 110.9(4) . . . yes
C(33) C(31) C(34) 111.5(4) . . . yes
N(31) C(34) C(31) 122.0(4) . . . yes
N(31) C(34) C(35) 109.7(4) . . . yes
C(31) C(34) C(35) 128.2(4) . . . yes
C(34) C(35) C(36) 107.1(4) . . . yes
N(32) C(36) C(35) 105.8(4) . . . yes
N(32) C(36) C(37) 122.8(4) . . . yes
C(35) C(36) C(37) 131.4(4) . . . yes
C(36) C(37) C(38) 110.9(4) . . . yes
C(36) C(37) C(39) 111.1(4) . . . yes
C(38) C(37) C(39) 109.1(5) . . . yes
C(42) C(41) C(43) 109.7(4) . . . yes
C(42) C(41) C(44) 111.7(4) . . . yes
C(43) C(41) C(44) 111.3(4) . . . yes
N(41) C(44) C(41) 122.0(4) . . . yes
N(41) C(44) C(45) 108.8(4) . . . yes
C(41) C(44) C(45) 129.2(4) . . . yes
C(44) C(45) C(46) 107.7(4) . . . yes
N(42) C(46) C(45) 105.7(4) . . . yes
N(42) C(46) C(47) 120.9(4) . . . yes
C(45) C(46) C(47) 133.5(4) . . . yes
C(46) C(47) C(48) 111.4(5) . . . yes
C(46) C(47) C(49) 112.0(5) . . . yes
C(48) C(47) C(49) 109.5(5) . . . yes
N(12) B(1) N(22) 107.6(3) . . . yes
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Cr(1) N(11) 2.100(3) . . yes
Cr(1) N(21) 2.083(3) . . yes
Cr(1) N(31) 2.142(4) . . yes
Cr(1) N(41) 2.139(3) . . yes
N(11) N(12) 1.378(4) . . yes
N(11) C(14) 1.349(6) . . yes
N(12) C(16) 1.354(5) . . yes
N(12) B(1) 1.566(6) . . yes
N(21) N(22) 1.384(4) . . yes
N(21) C(24) 1.346(5) . . yes
N(22) C(26) 1.361(5) . . yes
N(22) B(1) 1.543(6) . . yes
N(31) N(32) 1.369(5) . . yes
N(31) C(34) 1.344(6) . . yes
N(32) C(36) 1.352(6) . . yes
N(41) N(42) 1.363(5) . . yes
N(41) C(44) 1.342(5) . . yes
N(42) C(46) 1.343(6) . . yes
C(11) C(12) 1.500(6) . . yes
C(11) C(13) 1.515(8) . . yes
C(11) C(14) 1.502(6) . . yes
C(14) C(15) 1.401(6) . . yes
C(15) C(16) 1.389(6) . . yes
C(16) C(17) 1.504(6) . . yes
C(17) C(18) 1.534(5) . . yes
C(17) C(19) 1.516(7) . . yes
C(21) C(22) 1.518(8) . . yes
C(21) C(23) 1.513(6) . . yes
C(21) C(24) 1.500(6) . . yes
C(24) C(25) 1.400(6) . . yes
C(25) C(26) 1.373(6) . . yes
C(26) C(27) 1.509(6) . . yes
C(27) C(28) 1.523(6) . . yes
C(27) C(29) 1.525(6) . . yes
C(31) C(32) 1.532(7) . . yes
C(31) C(33) 1.526(6) . . yes
C(31) C(34) 1.499(6) . . yes
C(34) C(35) 1.396(6) . . yes
C(35) C(36) 1.378(6) . . yes
C(36) C(37) 1.499(6) . . yes
C(37) C(38) 1.502(9) . . yes
C(37) C(39) 1.503(9) . . yes
C(41) C(42) 1.515(6) . . yes
C(41) C(43) 1.526(8) . . yes
C(41) C(44) 1.502(6) . . yes
C(44) C(45) 1.398(7) . . yes
C(45) C(46) 1.369(6) . . yes
C(46) C(47) 1.506(7) . . yes
C(47) C(48) 1.472(8) . . yes
C(47) C(49) 1.490(10) . . yes
