#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/11/11/7111143.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the Crystal Eye server at
# http://wwmm.ch.cam.ac.uk/crystaleye/, created by Nick Day at the
# Peter Murray-Rust laboratory.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_7111143
loop_
_publ_author_name
'Lee, Dong-Heon'
'Chen, Junyi'
'Faller, Jack W.'
'Crabtree, Robert H.'
_publ_contact_author
;
        ' Jack Faller
   Department of Chemistry, Yale University, 
   225 Prospect St, New Haven, CT 06520-8107 U.S.A. '
;
_publ_section_title
;
 Reversible α-elimination in the conversion of N--CH3 to N--CHIr
 by double C--H activation
;
_journal_issue                   2
_journal_name_full               'Chemical Communications'
_journal_page_first              213
_journal_paper_doi               10.1039/b007679l
_journal_year                    2001
_chemical_formula_sum            'C46 H46 B Cl2 F4 Ir N2 P2'
_chemical_formula_weight         1038.76
_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             'Thu Sep  8 15:56:46 2000'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                100.210(2)
_cell_angle_beta                 107.894(2)
_cell_angle_gamma                101.536(2)
_cell_formula_units_Z            2
_cell_length_a                   11.8113(4)
_cell_length_b                   12.6330(5)
_cell_length_c                   16.5025(7)
_cell_measurement_reflns_used    0
_cell_measurement_temperature    183.2
_cell_measurement_theta_max      0.0
_cell_measurement_theta_min      0.0
_cell_volume                     2219.41(16)
_computing_cell_refinement       Denzo_SMN
_computing_data_reduction        teXsan
_computing_publication_material  teXsan
_computing_structure_refinement  teXsan
_diffrn_ambient_temperature      183.2
_diffrn_measurement_device       KappaCCD
_diffrn_orient_matrix_UB_11      0.00000
_diffrn_orient_matrix_UB_12      0.00000
_diffrn_orient_matrix_UB_13      0.00000
_diffrn_orient_matrix_UB_21      0.00000
_diffrn_orient_matrix_UB_22      0.00000
_diffrn_orient_matrix_UB_23      0.00000
_diffrn_orient_matrix_UB_31      0.00000
_diffrn_orient_matrix_UB_32      0.00000
_diffrn_orient_matrix_UB_33      0.00000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           MoKalpha
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  4.97
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            19020
_diffrn_reflns_theta_max         27.49
_diffrn_standards_decay_%        0.00
_diffrn_standards_interval_count 0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.260
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.551
_exptl_crystal_description       needle
_exptl_crystal_F_000             1036.00
_exptl_crystal_size_max          0.024
_exptl_crystal_size_mid          0.012
_exptl_crystal_size_min          0.007
_refine_diff_density_max         1.09
_refine_diff_density_min         -1.35
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.337
_refine_ls_matrix_type           full
_refine_ls_number_parameters     517
_refine_ls_number_reflns         6997
_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          0.0435
_refine_ls_shift/esd_max         0.0030
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_obs         0.0424
_reflns_number_observed          6997
_reflns_number_total             9866
_reflns_observed_criterion       3.00
_cod_data_source_file            b007679lsup1.cif
_cod_data_source_block           2063_IrP2(pyNetMeC_)_BF4_3_ChemComm
_cod_original_cell_volume        2219.4(2)
_cod_original_sg_symbol_H-M      'P -1       '
_cod_original_formula_sum        'C46 H46 B Cl2 F4 Ir N2 P2 '
_cod_database_code               7111143
loop_
_symmetry_equiv_pos_as_xyz
'   +x,   +y,   +z'
'   -x,   -y,   -z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
Ir(1) 0.02253(2) 0.21089(2) 0.30972(1) 0.02843(6) Uij
Cl(1) -0.3021(2) 0.3054(2) -0.0188(1) 0.0743(6) Uij
Cl(2) -0.4324(2) 0.3638(2) -0.1754(2) 0.0963(9) Uij
P(1) -0.1608(1) 0.2413(1) 0.31437(9) 0.0307(4) Uij
P(2) 0.2040(1) 0.1596(1) 0.34397(9) 0.0293(4) Uij
F(1) 0.2098(5) 0.2132(4) 0.8717(4) 0.111(2) Uij
F(2) 0.1666(4) 0.3563(3) 0.9494(3) 0.066(1) Uij
F(3) 0.2476(6) 0.2394(5) 1.0183(4) 0.128(2) Uij
F(4) 0.3596(4) 0.3587(4) 0.9690(5) 0.155(3) Uij
N(1) -0.0332(4) 0.1525(4) 0.1696(3) 0.028(1) Uij
N(2) 0.0721(4) 0.3366(4) 0.1897(3) 0.030(1) Uij
C(1) 0.0032(4) 0.2314(4) 0.1313(3) 0.026(1) Uij
C(2) -0.0266(5) 0.2090(5) 0.0398(4) 0.040(2) Uij
C(3) -0.0954(5) 0.1028(5) -0.0103(4) 0.044(2) Uij
C(4) -0.1334(5) 0.0228(5) 0.0293(4) 0.040(2) Uij
C(5) -0.1003(5) 0.0493(5) 0.1185(4) 0.034(2) Uij
C(6) 0.0871(4) 0.3493(4) 0.2745(4) 0.028(2) Uij
C(7) 0.1556(5) 0.4626(5) 0.3350(4) 0.045(2) Uij
C(8) 0.1275(5) 0.4236(5) 0.1524(4) 0.044(2) Uij
C(9) 0.0413(6) 0.4918(5) 0.1187(4) 0.053(2) Uij
C(10) -0.3012(5) 0.1492(5) 0.2275(3) 0.031(2) Uij
C(11) -0.3983(5) 0.1854(5) 0.1806(4) 0.045(2) Uij
C(12) -0.5030(6) 0.1104(6) 0.1169(4) 0.058(2) Uij
C(13) -0.5128(5) -0.0019(6) 0.0992(4) 0.043(2) Uij
C(14) -0.4176(6) -0.0405(5) 0.1459(4) 0.047(2) Uij
C(15) -0.3122(5) 0.0353(5) 0.2083(4) 0.044(2) Uij
C(16) -0.1700(5) 0.3820(5) 0.3102(4) 0.034(2) Uij
C(17) -0.1486(9) 0.4646(6) 0.3847(5) 0.085(3) Uij
C(18) -0.147(1) 0.5722(8) 0.3789(7) 0.128(4) Uij
C(19) -0.1669(10) 0.5999(7) 0.3000(7) 0.102(4) Uij
C(20) -0.1871(6) 0.5216(6) 0.2263(5) 0.057(2) Uij
C(21) -0.1862(6) 0.4139(5) 0.2316(4) 0.043(2) Uij
C(22) -0.1932(5) 0.2259(5) 0.4136(4) 0.040(2) Uij
C(23) -0.2998(7) 0.2411(7) 0.4225(4) 0.060(3) Uij
C(24) -0.3237(8) 0.2343(8) 0.4991(6) 0.081(3) Uij
C(25) -0.2435(8) 0.2073(8) 0.5655(5) 0.087(3) Uij
C(26) -0.1421(7) 0.183(1) 0.5533(6) 0.150(5) Uij
C(27) -0.1165(6) 0.192(1) 0.4781(5) 0.115(4) Uij
C(28) 0.2018(5) 0.0240(4) 0.2815(3) 0.028(1) Uij
C(29) 0.0964(5) -0.0654(5) 0.2553(3) 0.031(2) Uij
C(30) 0.0968(5) -0.1725(5) 0.2173(4) 0.039(2) Uij
C(31) 0.2013(6) -0.1915(5) 0.2028(4) 0.040(2) Uij
C(32) 0.3062(5) -0.1027(5) 0.2269(4) 0.040(2) Uij
C(33) 0.3063(5) 0.0042(5) 0.2651(4) 0.035(2) Uij
C(34) 0.3284(5) 0.2579(5) 0.3294(4) 0.036(2) Uij
C(35) 0.3239(5) 0.2605(5) 0.2460(5) 0.046(2) Uij
C(36) 0.4099(7) 0.3458(7) 0.2333(6) 0.063(3) Uij
C(37) 0.4971(7) 0.4260(7) 0.3048(8) 0.080(3) Uij
C(38) 0.5010(7) 0.4234(6) 0.3876(7) 0.080(3) Uij
C(39) 0.4185(6) 0.3404(5) 0.4009(5) 0.054(2) Uij
C(40) 0.2694(5) 0.1482(5) 0.4569(4) 0.035(1) Uij
C(41) 0.2004(9) 0.1431(9) 0.5142(7) 0.032(3) Uij
C(42) 0.248(1) 0.1231(10) 0.5973(8) 0.041(3) Uij
C(43) 0.3635(8) 0.1204(8) 0.6257(6) 0.081(2) Uij
C(44) 0.425(1) 0.103(1) 0.5650(8) 0.035(3) Uij
C(45) 0.380(1) 0.120(1) 0.4865(7) 0.032(3) Uij
C(46) 0.279(1) 0.242(1) 0.5217(9) 0.057(4) Uij
C(47) 0.335(1) 0.244(1) 0.611(1) 0.070(4) Uij
C(48) 0.383(2) 0.069(2) 0.569(1) 0.071(5) Uij
C(49) 0.328(1) 0.070(1) 0.4767(10) 0.060(4) Uij
C(50) -0.3915(7) 0.3879(7) -0.0598(6) 0.078(3) Uij
B(1) 0.2461(8) 0.2924(7) 0.9493(7) 0.061(3) Uij
H(1) 0.066(5) 0.250(4) 0.404(3) 0.05(1) Uij
H(2) -0.026(4) 0.103(4) 0.326(3) 0.04(1) Uij
H(3) -0.0003 0.2653 0.0132 0.0476 Uij
H(4) -0.1164 0.0850 -0.0724 0.0527 Uij
H(5) -0.1822 -0.0501 -0.0051 0.0483 Uij
H(6) -0.1252 -0.0068 0.1458 0.0412 Uij
H(7) 0.1606 0.4614 0.3934 0.0538 Uij
H(8) 0.2366 0.4830 0.3333 0.0538 Uij
H(9) 0.1130 0.5155 0.3168 0.0538 Uij
H(10) 0.2006 0.4721 0.1971 0.0529 Uij
H(11) 0.1478 0.3879 0.1051 0.0529 Uij
H(12) 0.0204 0.5278 0.1655 0.0641 Uij
H(13) 0.0808 0.5464 0.0961 0.0641 Uij
H(14) -0.0316 0.4442 0.0732 0.0641 Uij
H(15) -0.3929 0.2630 0.1923 0.0538 Uij
H(16) -0.5686 0.1369 0.0853 0.0695 Uij
H(17) -0.5846 -0.0530 0.0551 0.0521 Uij
H(18) -0.4246 -0.1184 0.1353 0.0559 Uij
H(19) -0.2457 0.0088 0.2386 0.0525 Uij
H(20) -0.1348 0.4470 0.4399 0.1016 Uij
H(21) -0.1326 0.6283 0.4305 0.1533 Uij
H(22) -0.1661 0.6745 0.2973 0.1221 Uij
H(23) -0.2018 0.5403 0.1714 0.0682 Uij
H(24) -0.1971 0.3597 0.1800 0.0517 Uij
H(25) -0.3590 0.2568 0.3757 0.0724 Uij
H(26) -0.3971 0.2487 0.5050 0.0974 Uij
H(27) -0.2577 0.2055 0.6189 0.1048 Uij
H(28) -0.0876 0.1587 0.5972 0.1805 Uij
H(29) -0.0447 0.1750 0.4713 0.1377 Uij
H(30) 0.0236 -0.0529 0.2635 0.0367 Uij
H(31) 0.0251 -0.2330 0.2011 0.0466 Uij
H(32) 0.2013 -0.2648 0.1766 0.0486 Uij
H(33) 0.3781 -0.1155 0.2171 0.0475 Uij
H(34) 0.3778 0.0646 0.2804 0.0415 Uij
H(35) 0.2634 0.2053 0.1967 0.0551 Uij
H(36) 0.4073 0.3477 0.1755 0.0759 Uij
H(37) 0.5547 0.4832 0.2963 0.0960 Uij
H(38) 0.5611 0.4793 0.4368 0.0955 Uij
H(39) 0.4228 0.3391 0.4592 0.0645 Uij
H(40) 0.1198 0.1536 0.4955 0.0383 Uij
H(41) 0.1981 0.1119 0.6320 0.0490 Uij
H(42) 0.4059 0.1299 0.6868 0.0976 Uij
H(43) 0.4987 0.0792 0.5809 0.0426 Uij
H(44) 0.4255 0.1137 0.4482 0.0387 Uij
H(45) -0.4649 0.3722 -0.0464 0.0939 Uij
H(46) -0.3469 0.4640 -0.0329 0.0939 Uij
loop_
_atom_type_symbol
_atom_type_oxidation_number
_atom_type_number_in_cell
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Ir 0 2 -1.444 7.990 'International Tables'
Cl 0 4 0.148 0.159 'International Tables'
P 0 4 0.102 0.094 'International Tables'
F 0 8 0.017 0.010 'International Tables'
N 0 4 0.006 0.003 'International Tables'
C 0 92 0.003 0.002 'International Tables'
B 0 2 0.001 0.001 'International Tables'
H 0 92 0.000 0.000 'International Tables'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_publ_flag
P(1) Ir(1) P(2) 161.44(5) yes
P(1) Ir(1) N(1) 97.7(1) yes
P(1) Ir(1) C(6) 98.9(1) yes
P(2) Ir(1) N(1) 96.6(1) yes
P(2) Ir(1) C(6) 95.8(1) yes
N(1) Ir(1) C(6) 77.2(2) yes
Ir(1) P(1) C(10) 116.3(2) yes
Ir(1) P(1) C(16) 113.0(2) yes
Ir(1) P(1) C(22) 115.7(2) yes
C(10) P(1) C(16) 105.2(3) yes
C(10) P(1) C(22) 101.8(2) yes
C(16) P(1) C(22) 103.2(3) yes
Ir(1) P(2) C(28) 117.5(2) yes
Ir(1) P(2) C(34) 112.6(2) yes
Ir(1) P(2) C(40) 115.8(2) yes
C(28) P(2) C(34) 103.7(2) yes
C(28) P(2) C(40) 100.9(3) yes
C(34) P(2) C(40) 104.6(3) yes
Ir(1) N(1) C(1) 113.5(3) yes
Ir(1) N(1) C(5) 127.7(4) yes
C(1) N(1) C(5) 118.9(4) yes
C(1) N(2) C(6) 117.7(4) yes
C(1) N(2) C(8) 117.4(4) yes
C(6) N(2) C(8) 124.8(4) yes
N(1) C(1) N(2) 115.0(4) yes
N(1) C(1) C(2) 121.6(5) yes
N(2) C(1) C(2) 123.5(5) yes
C(1) C(2) C(3) 117.9(5) yes
C(2) C(3) C(4) 120.2(5) yes
C(3) C(4) C(5) 119.0(5) yes
N(1) C(5) C(4) 122.3(5) yes
Ir(1) C(6) N(2) 116.5(4) yes
Ir(1) C(6) C(7) 126.3(4) yes
N(2) C(6) C(7) 117.1(5) yes
N(2) C(8) C(9) 112.5(5) yes
P(1) C(10) C(11) 124.3(5) yes
P(1) C(10) C(15) 117.9(4) yes
C(11) C(10) C(15) 117.8(5) yes
C(10) C(11) C(12) 121.0(6) yes
C(11) C(12) C(13) 120.4(6) yes
C(12) C(13) C(14) 119.8(5) yes
C(13) C(14) C(15) 119.4(6) yes
C(10) C(15) C(14) 121.6(6) yes
P(1) C(16) C(17) 122.5(5) yes
P(1) C(16) C(21) 120.1(4) yes
C(17) C(16) C(21) 117.1(6) yes
C(16) C(17) C(18) 120.2(8) yes
C(17) C(18) C(19) 121.1(8) yes
C(18) C(19) C(20) 120.2(8) yes
C(19) C(20) C(21) 119.2(7) yes
C(16) C(21) C(20) 122.2(6) yes
P(1) C(22) C(23) 120.3(5) yes
P(1) C(22) C(27) 121.8(5) yes
C(23) C(22) C(27) 117.8(6) yes
C(22) C(23) C(24) 121.0(6) yes
C(23) C(24) C(25) 120.7(7) yes
C(24) C(25) C(26) 118.0(6) yes
C(25) C(26) C(27) 121.3(8) yes
C(22) C(27) C(26) 120.7(8) yes
P(2) C(28) C(29) 119.3(4) yes
P(2) C(28) C(33) 122.0(4) yes
C(29) C(28) C(33) 118.5(5) yes
C(28) C(29) C(30) 120.7(5) yes
C(29) C(30) C(31) 120.3(5) yes
C(30) C(31) C(32) 119.6(5) yes
C(31) C(32) C(33) 120.2(5) yes
C(28) C(33) C(32) 120.6(5) yes
P(2) C(34) C(35) 119.1(4) yes
P(2) C(34) C(39) 121.4(5) yes
C(35) C(34) C(39) 118.9(6) yes
C(34) C(35) C(36) 119.8(6) yes
C(35) C(36) C(37) 120.0(7) yes
C(36) C(37) C(38) 120.1(7) yes
C(37) C(38) C(39) 120.5(8) yes
C(34) C(39) C(38) 120.7(7) yes
P(2) C(40) C(41) 122.8(6) yes
P(2) C(40) C(45) 121.5(6) yes
P(2) C(40) C(46) 114.0(7) yes
P(2) C(40) C(49) 122.4(7) yes
C(41) C(40) C(45) 114.3(7) yes
C(41) C(40) C(46) 57.5(7) yes
C(41) C(40) C(49) 98.8(9) yes
C(45) C(40) C(46) 105.6(8) yes
C(45) C(40) C(49) 31.7(7) yes
C(46) C(40) C(49) 121.9(10) yes
C(40) C(41) C(42) 121.8(9) yes
C(40) C(41) C(46) 60.5(8) yes
C(42) C(41) C(46) 102(1) yes
C(41) C(42) C(43) 118(1) yes
C(41) C(42) C(47) 78.6(9) yes
C(43) C(42) C(47) 71.3(8) yes
C(42) C(43) C(44) 119.8(10) yes
C(42) C(43) C(47) 62.2(8) yes
C(42) C(43) C(48) 108(1) yes
C(44) C(43) C(47) 99.0(9) yes
C(44) C(43) C(48) 25.2(10) yes
C(47) C(43) C(48) 115(1) yes
C(43) C(44) C(45) 119(1) yes
C(43) C(44) C(48) 52(2) yes
C(43) C(44) C(49) 105(1) yes
C(45) C(44) C(48) 106(2) yes
C(45) C(44) C(49) 30.2(7) yes
C(48) C(44) C(49) 77(2) yes
C(40) C(45) C(44) 123(1) yes
C(40) C(45) C(48) 108.5(10) yes
C(40) C(45) C(49) 70(1) yes
C(44) C(45) C(48) 21.7(8) yes
C(44) C(45) C(49) 86(1) yes
C(48) C(45) C(49) 65(1) yes
C(40) C(46) C(41) 61.9(8) yes
C(40) C(46) C(47) 118(1) yes
C(41) C(46) C(47) 86(1) yes
C(42) C(47) C(43) 46.5(7) yes
C(42) C(47) C(46) 91(1) yes
C(43) C(47) C(46) 112(1) yes
C(43) C(48) C(44) 102(2) yes
C(43) C(48) C(45) 117(1) yes
C(43) C(48) C(49) 122(1) yes
C(44) C(48) C(45) 51(2) yes
C(44) C(48) C(49) 78(2) yes
C(45) C(48) C(49) 27.6(7) yes
C(40) C(49) C(44) 115(1) yes
C(40) C(49) C(45) 77(1) yes
C(40) C(49) C(48) 119(1) yes
C(44) C(49) C(45) 62(1) yes
C(44) C(49) C(48) 24.3(8) yes
C(45) C(49) C(48) 86(1) yes
Cl(1) C(50) Cl(2) 111.7(4) yes
F(1) B(1) F(2) 112.6(8) yes
F(1) B(1) F(3) 109.4(7) yes
F(1) B(1) F(4) 111.5(8) yes
F(2) B(1) F(3) 105.6(7) yes
F(2) B(1) F(4) 109.2(6) yes
F(3) B(1) F(4) 108.2(8) yes
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
Ir(1) P(1) 2.295(1) yes
Ir(1) P(2) 2.297(1) yes
Ir(1) N(1) 2.142(4) yes
Ir(1) C(6) 2.018(5) yes
Cl(1) C(50) 1.705(9) yes
Cl(2) C(50) 1.771(9) yes
P(1) C(10) 1.826(5) yes
P(1) C(16) 1.815(6) yes
P(1) C(22) 1.827(6) yes
P(2) C(28) 1.826(5) yes
P(2) C(34) 1.831(5) yes
P(2) C(40) 1.829(6) yes
F(1) B(1) 1.364(10) yes
F(2) B(1) 1.355(9) yes
F(3) B(1) 1.42(1) yes
F(4) B(1) 1.339(9) yes
N(1) C(1) 1.340(6) yes
N(1) C(5) 1.352(6) yes
N(2) C(1) 1.410(6) yes
N(2) C(6) 1.332(7) yes
N(2) C(8) 1.488(7) yes
C(1) C(2) 1.402(7) yes
C(2) C(3) 1.379(8) yes
C(3) C(4) 1.373(8) yes
C(4) C(5) 1.360(8) yes
C(6) C(7) 1.495(7) yes
C(8) C(9) 1.504(9) yes
C(10) C(11) 1.383(8) yes
C(10) C(15) 1.388(8) yes
C(11) C(12) 1.382(8) yes
C(12) C(13) 1.371(9) yes
C(13) C(14) 1.385(8) yes
C(14) C(15) 1.383(8) yes
C(16) C(17) 1.383(8) yes
C(16) C(21) 1.395(8) yes
C(17) C(18) 1.38(1) yes
C(18) C(19) 1.37(1) yes
C(19) C(20) 1.35(1) yes
C(20) C(21) 1.381(9) yes
C(22) C(23) 1.359(8) yes
C(22) C(27) 1.362(9) yes
C(23) C(24) 1.391(9) yes
C(24) C(25) 1.36(1) yes
C(25) C(26) 1.36(1) yes
C(26) C(27) 1.383(10) yes
C(28) C(29) 1.395(7) yes
C(28) C(33) 1.401(7) yes
C(29) C(30) 1.388(8) yes
C(30) C(31) 1.384(8) yes
C(31) C(32) 1.391(8) yes
C(32) C(33) 1.386(8) yes
C(34) C(35) 1.368(8) yes
C(34) C(39) 1.399(8) yes
C(35) C(36) 1.418(9) yes
C(36) C(37) 1.37(1) yes
C(37) C(38) 1.36(1) yes
C(38) C(39) 1.38(1) yes
C(40) C(41) 1.43(1) yes
C(40) C(45) 1.39(1) yes
C(40) C(46) 1.41(1) yes
C(40) C(49) 1.34(2) yes
C(41) C(42) 1.40(2) yes
C(41) C(46) 1.36(2) yes
C(42) C(43) 1.31(1) yes
C(42) C(47) 1.59(2) yes
C(43) C(44) 1.42(2) yes
C(43) C(47) 1.71(2) yes
C(43) C(48) 1.15(2) yes
C(44) C(45) 1.32(2) yes
C(44) C(48) 0.62(2) yes
C(44) C(49) 1.48(2) yes
C(45) C(48) 1.61(2) yes
C(45) C(49) 0.75(2) yes
C(46) C(47) 1.42(2) yes
C(48) C(49) 1.47(2) yes
