#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/11/39/4113973.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_4113973
loop_
_publ_author_name
'Amy H. Roy'
'John F. Hartwig'
_publ_section_title
;
 Oxidative Addition of Aryl Tosylates to Palladium(0) and Coupling of
 Unactivated Aryl Tosylates at Room Temperature
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              8704
_journal_page_last               8705
_journal_paper_doi               10.1021/ja035835z
_journal_volume                  125
_journal_year                    2003
_chemical_formula_sum            'C42 H53 Br Fe O P2 Pd'
_chemical_formula_weight         877.98
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_audit_creation_date             'Wed Nov  4 15:08:59 1998'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                90
_cell_angle_beta                 91
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.4928(2)
_cell_length_b                   15.1888(5)
_cell_length_c                   13.5344(4)
_cell_measurement_reflns_used    0
_cell_measurement_temperature    183.2
_cell_measurement_theta_max      0.0
_cell_measurement_theta_min      0.0
_cell_volume                     1951.15(10)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        teXsan
_computing_publication_material  teXsan
_computing_structure_refinement  teXsan
_diffrn_ambient_temperature      183.2
_diffrn_measurement_device       unknown
_diffrn_measurement_method       'omega scans with profile analysis'
_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  6.05
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            13797
_diffrn_reflns_theta_max         30.59
_diffrn_standards_decay_%        0.00
_diffrn_standards_interval_count 0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.974
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.495
_exptl_crystal_description       needle
_exptl_crystal_F_000             900.00
_exptl_crystal_size_max          0.290
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.70
_refine_diff_density_min         -1.34
_refine_ls_extinction_coef       2.82590
_refine_ls_extinction_method     Zachariasen_type_2_gaussian_isotropic
_refine_ls_goodness_of_fit_obs   1.366
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     432
_refine_ls_number_reflns         4363
_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          0.0421
_refine_ls_shift/esd_max         0.0014
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_obs         0.0414
_reflns_number_observed          4363
_reflns_number_total             5823
_reflns_observed_criterion       3.00
_cod_data_source_file            ja035835zsi20030522_090903_1.cif
_cod_data_source_block           SRH350_HARTWIG
_cod_original_cell_volume        1950.57(8)
_cod_original_sg_symbol_H-M      'P 21 '
_cod_original_formula_sum        'C42 H53 Br Fe O P2 Pd '
_cod_database_code               4113973
loop_
_symmetry_equiv_pos_as_xyz
'   +x,   +y,   +z'
'   -x,1/2+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
Pd(1) -0.70967(4) -0.3340 -0.66182(3) 0.01975(10) Uij
Br(1) -0.47271(6) -0.34817(6) -0.57262(4) 0.0353(2) Uij
Fe(1) -1.13095(9) -0.15114(7) -0.82300(7) 0.0240(2) Uij
P(1) -0.8636(1) -0.3176(1) -0.78920(10) 0.0181(4) Uij
P(2) -0.8206(2) -0.2302(1) -0.5511(1) 0.0208(4) Uij
O(1) -0.8012(8) 0.1275(6) -0.9032(8) 0.112(4) Uij
C(1) -0.6591(6) -0.4483(4) -0.7323(4) 0.024(2) Uij
C(2) -0.5779(6) -0.4615(5) -0.8146(5) 0.029(2) Uij
C(3) -0.5545(6) -0.5456(5) -0.8500(5) 0.034(2) Uij
C(4) -0.6112(7) -0.6183(5) -0.8035(5) 0.034(2) Uij
C(5) -0.6903(7) -0.6056(5) -0.7194(5) 0.035(2) Uij
C(6) -0.7127(6) -0.5214(5) -0.6869(5) 0.031(2) Uij
C(7) -0.7867(5) -0.3118(4) -0.9119(4) 0.022(1) Uij
C(8) -0.6571(6) -0.2694(5) -0.9197(5) 0.029(2) Uij
C(9) -0.6071(6) -0.2512(5) -1.0124(5) 0.034(2) Uij
C(10) -0.6841(7) -0.2764(6) -1.0968(5) 0.040(2) Uij
C(11) -0.8113(7) -0.3179(6) -1.0886(4) 0.038(2) Uij
C(12) -0.8654(5) -0.3345(6) -0.9965(4) 0.027(1) Uij
C(13) -0.9969(6) -0.4038(4) -0.7997(4) 0.021(1) Uij
C(14) -0.9638(6) -0.4829(5) -0.8472(5) 0.027(2) Uij
C(15) -1.0606(7) -0.5507(5) -0.8516(5) 0.033(2) Uij
C(16) -1.1881(7) -0.5423(5) -0.8076(5) 0.032(2) Uij
C(17) -1.2196(6) -0.4671(5) -0.7564(5) 0.030(2) Uij
C(18) -1.1246(6) -0.3968(5) -0.7519(4) 0.025(2) Uij
C(19) -0.9400(5) -0.2077(4) -0.7889(4) 0.018(1) Uij
C(20) -0.9285(6) -0.1440(5) -0.8660(4) 0.029(2) Uij
C(21) -0.9710(6) -0.0615(5) -0.8299(5) 0.032(2) Uij
C(22) -1.0111(6) -0.0720(5) -0.7307(5) 0.032(2) Uij
C(23) -0.9889(5) -0.1618(4) -0.7030(4) 0.021(1) Uij
C(24) -1.3226(6) -0.2054(6) -0.7951(6) 0.040(2) Uij
C(25) -1.2694(7) -0.2395(5) -0.8844(5) 0.038(2) Uij
C(26) -1.2509(7) -0.1686(6) -0.9501(5) 0.039(2) Uij
C(27) -1.2900(7) -0.0891(6) -0.9014(6) 0.044(2) Uij
C(28) -1.3365(6) -0.1133(6) -0.8062(6) 0.042(2) Uij
C(29) -1.0030(6) -0.2033(5) -0.6036(4) 0.025(2) Uij
C(30) -1.1137(7) -0.1543(6) -0.5424(5) 0.037(2) Uij
C(31) -0.8620(7) -0.2869(5) -0.4318(4) 0.029(2) Uij
C(32) -0.7340(7) -0.3404(6) -0.3921(4) 0.039(2) Uij
C(33) -0.9786(7) -0.3556(6) -0.4561(4) 0.040(2) Uij
C(34) -0.9097(8) -0.2267(6) -0.3481(5) 0.041(2) Uij
C(35) -0.7189(6) -0.1251(4) -0.5287(5) 0.028(2) Uij
C(36) -0.6508(7) -0.1033(5) -0.6268(5) 0.036(2) Uij
C(37) -0.8074(7) -0.0464(5) -0.4989(5) 0.033(2) Uij
C(38) -0.5981(7) -0.1376(5) -0.4511(5) 0.038(2) Uij
C(40) -0.791(1) 0.148(1) -0.801(1) 0.135(6) Uij
C(41) -0.644(2) 0.122(1) -0.768(1) 0.122(6) Uij
C(42) -0.6103(10) 0.0545(9) -0.8455(10) 0.080(4) Uij
C(43) -0.692(1) 0.079(1) -0.9312(8) 0.094(5) Uij
H(1) -0.5379 -0.4123 -0.8469 0.0352 Uij
H(2) -0.4991 -0.5536 -0.9067 0.0403 Uij
H(3) -0.5963 -0.6758 -0.8285 0.0411 Uij
H(4) -0.7280 -0.6545 -0.6853 0.0414 Uij
H(5) -0.7679 -0.5131 -0.6302 0.0368 Uij
H(6) -0.6039 -0.2533 -0.8619 0.0344 Uij
H(7) -0.5199 -0.2213 -1.0185 0.0412 Uij
H(8) -0.6484 -0.2648 -1.1604 0.0485 Uij
H(9) -0.8628 -0.3355 -1.1465 0.0461 Uij
H(10) -0.9554 -0.3611 -0.9912 0.0329 Uij
H(11) -0.8746 -0.4899 -0.8763 0.0324 Uij
H(12) -1.0387 -0.6035 -0.8855 0.0393 Uij
H(13) -1.2551 -0.5887 -0.8126 0.0378 Uij
H(14) -1.3066 -0.4629 -0.7237 0.0361 Uij
H(15) -1.1467 -0.3448 -0.7167 0.0295 Uij
H(16) -0.8973 -0.1554 -0.9308 0.0345 Uij
H(17) -0.9725 -0.0079 -0.8660 0.0381 Uij
H(18) -1.0467 -0.0270 -0.6896 0.0380 Uij
H(19) -1.3448 -0.2386 -0.7381 0.0485 Uij
H(20) -1.2496 -0.2996 -0.8975 0.0461 Uij
H(21) -1.2180 -0.1729 -1.0155 0.0470 Uij
H(22) -1.2859 -0.0312 -0.9276 0.0531 Uij
H(23) -1.3711 -0.0740 -0.7580 0.0509 Uij
H(24) -1.0445 -0.2591 -0.6172 0.0297 Uij
H(25) -1.0804 -0.0969 -0.5268 0.0441 Uij
H(26) -1.1291 -0.1858 -0.4831 0.0441 Uij
H(27) -1.1998 -0.1502 -0.5799 0.0441 Uij
H(28) -0.7059 -0.3810 -0.4412 0.0470 Uij
H(29) -0.7592 -0.3716 -0.3344 0.0470 Uij
H(30) -0.6583 -0.3015 -0.3764 0.0470 Uij
H(31) -1.0621 -0.3262 -0.4780 0.0484 Uij
H(32) -0.9972 -0.3889 -0.3985 0.0484 Uij
H(33) -0.9481 -0.3939 -0.5066 0.0484 Uij
H(34) -0.8361 -0.1867 -0.3306 0.0492 Uij
H(35) -0.9317 -0.2614 -0.2922 0.0492 Uij
H(36) -0.9909 -0.1946 -0.3696 0.0492 Uij
H(37) -0.5924 -0.1509 -0.6456 0.0435 Uij
H(38) -0.5955 -0.0515 -0.6193 0.0435 Uij
H(39) -0.7223 -0.0941 -0.6763 0.0435 Uij
H(40) -0.7485 0.0039 -0.4910 0.0397 Uij
H(41) -0.8512 -0.0587 -0.4382 0.0397 Uij
H(42) -0.8776 -0.0352 -0.5487 0.0397 Uij
H(43) -0.5409 -0.1858 -0.4697 0.0456 Uij
H(44) -0.6365 -0.1491 -0.3884 0.0456 Uij
H(45) -0.5426 -0.0856 -0.4474 0.0456 Uij
H(46) -0.8586 0.1162 -0.7650 0.1622 Uij
H(47) -0.8050 0.2097 -0.7907 0.1622 Uij
H(48) -0.6415 0.0974 -0.7034 0.1466 Uij
H(49) -0.5805 0.1708 -0.7694 0.1466 Uij
H(50) -0.6357 -0.0027 -0.8239 0.0964 Uij
H(51) -0.5128 0.0556 -0.8592 0.0964 Uij
H(52) -0.6360 0.1115 -0.9747 0.1127 Uij
H(53) -0.7261 0.0271 -0.9639 0.1127 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
C 0 84 0.003 0.002 'International Tables'
H 0 106 0.000 0.000 'International Tables'
O 0 2 0.011 0.006 'International Tables'
P 0 4 0.102 0.094 'International Tables'
Br 0 2 -0.290 2.459 'International Tables'
Fe 0 2 0.346 0.844 'International Tables'
Pd 0 2 -0.999 1.007 '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
Br(1) Pd(1) P(1) 157.94(4) yes
Br(1) Pd(1) P(2) 98.97(4) yes
Br(1) Pd(1) C(1) 86.1(2) yes
P(1) Pd(1) P(2) 96.73(5) yes
P(1) Pd(1) C(1) 83.8(2) yes
P(2) Pd(1) C(1) 161.5(2) yes
C(19) Fe(1) C(20) 41.1(2) yes
C(19) Fe(1) C(21) 68.6(2) yes
C(19) Fe(1) C(22) 68.7(2) yes
C(19) Fe(1) C(23) 40.9(2) yes
C(19) Fe(1) C(24) 125.2(3) yes
C(19) Fe(1) C(25) 111.8(3) yes
C(19) Fe(1) C(26) 126.9(3) yes
C(19) Fe(1) C(27) 160.8(3) yes
C(19) Fe(1) C(28) 158.6(3) yes
C(20) Fe(1) C(21) 40.5(3) yes
C(20) Fe(1) C(22) 68.3(3) yes
C(20) Fe(1) C(23) 68.4(2) yes
C(20) Fe(1) C(24) 158.7(3) yes
C(20) Fe(1) C(25) 121.6(3) yes
C(20) Fe(1) C(26) 105.9(3) yes
C(20) Fe(1) C(27) 121.1(3) yes
C(20) Fe(1) C(28) 158.3(3) yes
C(21) Fe(1) C(22) 40.4(3) yes
C(21) Fe(1) C(23) 67.9(2) yes
C(21) Fe(1) C(24) 160.8(3) yes
C(21) Fe(1) C(25) 153.0(3) yes
C(21) Fe(1) C(26) 116.3(3) yes
C(21) Fe(1) C(27) 102.0(3) yes
C(21) Fe(1) C(28) 121.9(3) yes
C(22) Fe(1) C(23) 40.4(3) yes
C(22) Fe(1) C(24) 127.2(3) yes
C(22) Fe(1) C(25) 166.5(3) yes
C(22) Fe(1) C(26) 150.4(3) yes
C(22) Fe(1) C(27) 115.6(3) yes
C(22) Fe(1) C(28) 106.3(3) yes
C(23) Fe(1) C(24) 112.5(3) yes
C(23) Fe(1) C(25) 131.3(3) yes
C(23) Fe(1) C(26) 166.5(3) yes
C(23) Fe(1) C(27) 152.7(3) yes
C(23) Fe(1) C(28) 122.0(3) yes
C(24) Fe(1) C(25) 40.8(3) yes
C(24) Fe(1) C(26) 68.2(3) yes
C(24) Fe(1) C(27) 68.6(3) yes
C(24) Fe(1) C(28) 40.3(3) yes
C(25) Fe(1) C(26) 40.4(3) yes
C(25) Fe(1) C(27) 68.6(3) yes
C(25) Fe(1) C(28) 68.0(3) yes
C(26) Fe(1) C(27) 40.8(3) yes
C(26) Fe(1) C(28) 67.9(3) yes
C(27) Fe(1) C(28) 40.6(3) yes
Pd(1) P(1) C(7) 115.7(2) yes
Pd(1) P(1) C(13) 114.5(2) yes
Pd(1) P(1) C(19) 110.6(2) yes
C(7) P(1) C(13) 104.9(3) yes
C(7) P(1) C(19) 97.3(3) yes
C(13) P(1) C(19) 112.5(3) yes
Pd(1) P(2) C(29) 108.4(2) yes
Pd(1) P(2) C(31) 109.7(2) yes
Pd(1) P(2) C(35) 114.7(2) yes
C(29) P(2) C(31) 102.0(3) yes
C(29) P(2) C(35) 109.6(3) yes
C(31) P(2) C(35) 111.6(3) yes
C(40) O(1) C(43) 111.7(10) yes
Pd(1) C(1) C(2) 129.8(5) yes
Pd(1) C(1) C(6) 112.4(4) yes
C(2) C(1) C(6) 117.7(6) yes
C(1) C(2) C(3) 120.6(7) yes
C(2) C(3) C(4) 120.5(6) yes
C(3) C(4) C(5) 119.1(7) yes
C(4) C(5) C(6) 118.8(7) yes
C(1) C(6) C(5) 123.1(6) yes
P(1) C(7) C(8) 117.8(4) yes
P(1) C(7) C(12) 120.9(4) yes
C(8) C(7) C(12) 120.4(5) yes
C(7) C(8) C(9) 119.2(6) yes
C(8) C(9) C(10) 120.3(6) yes
C(9) C(10) C(11) 120.1(6) yes
C(10) C(11) C(12) 120.6(6) yes
C(7) C(12) C(11) 119.3(5) yes
P(1) C(13) C(14) 119.1(4) yes
P(1) C(13) C(18) 121.3(5) yes
C(14) C(13) C(18) 119.2(6) yes
C(13) C(14) C(15) 120.0(6) yes
C(14) C(15) C(16) 120.5(6) yes
C(15) C(16) C(17) 120.3(6) yes
C(16) C(17) C(18) 120.4(6) yes
C(13) C(18) C(17) 119.4(6) yes
Fe(1) C(19) P(1) 137.3(3) yes
Fe(1) C(19) C(20) 68.8(3) yes
Fe(1) C(19) C(23) 71.1(3) yes
P(1) C(19) C(20) 125.4(5) yes
P(1) C(19) C(23) 125.6(4) yes
C(20) C(19) C(23) 107.2(5) yes
Fe(1) C(20) C(19) 70.1(3) yes
Fe(1) C(20) C(21) 70.4(3) yes
C(19) C(20) C(21) 108.6(5) yes
Fe(1) C(21) C(20) 69.2(4) yes
Fe(1) C(21) C(22) 70.1(4) yes
C(20) C(21) C(22) 108.5(6) yes
Fe(1) C(22) C(21) 69.5(4) yes
Fe(1) C(22) C(23) 71.1(4) yes
C(21) C(22) C(23) 108.4(6) yes
Fe(1) C(23) C(19) 68.0(3) yes
Fe(1) C(23) C(22) 68.5(3) yes
Fe(1) C(23) C(29) 131.3(4) yes
C(19) C(23) C(22) 107.3(5) yes
C(19) C(23) C(29) 124.1(6) yes
C(22) C(23) C(29) 128.5(6) yes
Fe(1) C(24) C(25) 69.4(4) yes
Fe(1) C(24) C(28) 70.2(4) yes
C(25) C(24) C(28) 107.7(7) yes
Fe(1) C(25) C(24) 69.8(4) yes
Fe(1) C(25) C(26) 70.3(4) yes
C(24) C(25) C(26) 108.2(7) yes
Fe(1) C(26) C(25) 69.3(4) yes
Fe(1) C(26) C(27) 69.5(4) yes
C(25) C(26) C(27) 108.4(6) yes
Fe(1) C(27) C(26) 69.7(4) yes
Fe(1) C(27) C(28) 69.8(4) yes
C(26) C(27) C(28) 106.9(7) yes
Fe(1) C(28) C(24) 69.4(4) yes
Fe(1) C(28) C(27) 69.6(4) yes
C(24) C(28) C(27) 108.8(7) yes
P(2) C(29) C(23) 108.8(4) yes
P(2) C(29) C(30) 122.1(4) yes
C(23) C(29) C(30) 111.0(6) yes
P(2) C(31) C(32) 110.9(4) yes
P(2) C(31) C(33) 107.0(4) yes
P(2) C(31) C(34) 115.7(5) yes
C(32) C(31) C(33) 105.6(6) yes
C(32) C(31) C(34) 107.6(5) yes
C(33) C(31) C(34) 109.4(5) yes
P(2) C(35) C(36) 105.7(4) yes
P(2) C(35) C(37) 115.1(4) yes
P(2) C(35) C(38) 111.8(5) yes
C(36) C(35) C(37) 108.1(6) yes
C(36) C(35) C(38) 107.0(5) yes
C(37) C(35) C(38) 108.7(5) yes
O(1) C(40) C(41) 105(1) yes
C(40) C(41) C(42) 100(1) yes
C(41) C(42) C(43) 105(1) yes
O(1) C(43) C(42) 108(1) yes
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
Pd(1) Br(1) 2.5301(6) yes
Pd(1) P(1) 2.240(1) yes
Pd(1) P(2) 2.436(2) yes
Pd(1) C(1) 2.045(6) yes
Fe(1) C(19) 2.046(5) yes
Fe(1) C(20) 2.028(6) yes
Fe(1) C(21) 2.043(6) yes
Fe(1) C(22) 2.053(7) yes
Fe(1) C(23) 2.086(5) yes
Fe(1) C(24) 2.043(7) yes
Fe(1) C(25) 2.038(7) yes
Fe(1) C(26) 2.052(6) yes
Fe(1) C(27) 2.049(7) yes
Fe(1) C(28) 2.053(6) yes
P(1) C(7) 1.837(5) yes
P(1) C(13) 1.823(6) yes
P(1) C(19) 1.821(6) yes
P(2) C(29) 1.896(6) yes
P(2) C(31) 1.882(6) yes
P(2) C(35) 1.886(7) yes
O(1) C(40) 1.42(2) yes
O(1) C(43) 1.34(1) yes
C(1) C(2) 1.387(9) yes
C(1) C(6) 1.374(10) yes
C(2) C(3) 1.385(10) yes
C(3) C(4) 1.39(1) yes
C(4) C(5) 1.395(9) yes
C(5) C(6) 1.372(10) yes
C(7) C(8) 1.394(8) yes
C(7) C(12) 1.392(7) yes
C(8) C(9) 1.383(9) yes
C(9) C(10) 1.392(10) yes
C(10) C(11) 1.369(9) yes
C(11) C(12) 1.385(8) yes
C(13) C(14) 1.403(9) yes
C(13) C(18) 1.395(8) yes
C(14) C(15) 1.380(9) yes
C(15) C(16) 1.371(9) yes
C(16) C(17) 1.37(1) yes
C(17) C(18) 1.398(9) yes
C(19) C(20) 1.429(9) yes
C(19) C(23) 1.444(8) yes
C(20) C(21) 1.41(1) yes
C(21) C(22) 1.415(9) yes
C(22) C(23) 1.429(9) yes
C(23) C(29) 1.495(8) yes
C(24) C(25) 1.42(1) yes
C(24) C(28) 1.41(1) yes
C(25) C(26) 1.41(1) yes
C(26) C(27) 1.43(1) yes
C(27) C(28) 1.42(1) yes
C(29) C(30) 1.548(8) yes
C(31) C(32) 1.544(9) yes
C(31) C(33) 1.549(9) yes
C(31) C(34) 1.536(10) yes
C(35) C(36) 1.530(9) yes
C(35) C(37) 1.523(10) yes
C(35) C(38) 1.543(9) yes
C(40) C(41) 1.51(2) yes
C(41) C(42) 1.51(2) yes
C(42) C(43) 1.42(1) yes
