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#$Date: 2022-11-11 01:16:16 +0200 (Fri, 11 Nov 2022) $
#$Revision: 279215 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/79/1567961.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_1567961
loop_
_publ_author_name
'Rodstein, Ilja'
'Kelling, Leif'
'Löffler, Julian'
'Scherpf, Thorsten'
'Sarbajna, Abir'
'Andrada, Diego M.'
'Gessner, Viktoria H.'
_publ_section_title
;
 Formation of exceptional monomeric YPhos--PdCl2 complexes with high
 activities in coupling reactions
;
_journal_name_full               'Chemical Science'
_journal_paper_doi               10.1039/D2SC04523K
_journal_year                    2022
_chemical_formula_moiety         'C38 H62 Cl2 P2 Pd'
_chemical_formula_sum            'C38 H62 Cl2 P2 Pd'
_chemical_formula_weight         758.11
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2022-07-14 deposited with the CCDC.	2022-10-24 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 106.091(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.8401(2)
_cell_length_b                   15.1413(3)
_cell_length_c                   20.3980(4)
_cell_measurement_reflns_used    12431
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      75.1930
_cell_measurement_theta_min      2.2240
_cell_volume                     3810.33(13)
_computing_cell_refinement       'CrysAlisPro 1.171.40.68a (Rigaku OD, 2019)'
_computing_data_collection       'CrysAlisPro 1.171.40.68a (Rigaku OD, 2019)'
_computing_data_reduction        'CrysAlisPro 1.171.40.68a (Rigaku OD, 2019)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT-2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 10.000
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.964
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0410
_diffrn_reflns_av_unetI/netI     0.0301
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.964
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            28012
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.964
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         76.993
_diffrn_reflns_theta_min         3.583
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    6.183
_exptl_absorpt_correction_T_max  0.723
_exptl_absorpt_correction_T_min  0.342
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.40.68a (Rigaku Oxford Diffraction, 2019)
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.322
_exptl_crystal_description       plate
_exptl_crystal_F_000             1600
_exptl_crystal_size_max          0.176
_exptl_crystal_size_mid          0.098
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.537
_refine_diff_density_min         -1.649
_refine_diff_density_rms         0.093
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.126
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     389
_refine_ls_number_reflns         7756
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.126
_refine_ls_R_factor_all          0.0489
_refine_ls_R_factor_gt           0.0444
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0737P)²+3.1188P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1230
_refine_ls_wR_factor_ref         0.1264
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6934
_reflns_number_total             7756
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2sc04523k2.cif
_cod_data_source_block           L4PdCl2
_cod_original_cell_volume        3810.34(13)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1567961
_shelx_shelxl_version_number     2018/3
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pd1 Pd 0.58917(2) 0.56659(2) 0.20310(2) 0.02888(9) Uani 1 1 d . . . . .
Cl1 Cl 0.45707(7) 0.61468(5) 0.10503(4) 0.03656(17) Uani 1 1 d . . . . .
P1 P 0.68493(7) 0.42708(5) 0.32225(4) 0.02889(17) Uani 1 1 d . . . . .
C1 C 0.7297(3) 0.4887(2) 0.25796(16) 0.0312(6) Uani 1 1 d . . . . .
P2 P 0.68967(6) 0.47670(5) 0.16669(4) 0.02953(17) Uani 1 1 d . . . . .
Cl2 Cl 0.52542(7) 0.64449(5) 0.28819(4) 0.03547(17) Uani 1 1 d . . . . .
C2 C 0.8330(3) 0.5413(2) 0.28639(16) 0.0346(7) Uani 1 1 d . . . . .
C3 C 0.9364(3) 0.5078(3) 0.28947(18) 0.0409(8) Uani 1 1 d . . . . .
C4 C 1.0264(3) 0.5632(3) 0.3142(2) 0.0514(10) Uani 1 1 d . . . . .
H4 H 1.096595 0.541364 0.316272 0.062 Uiso 1 1 calc R U . . .
C5 C 1.0158(3) 0.6484(3) 0.3355(2) 0.0551(11) Uani 1 1 d . . . . .
H5 H 1.078198 0.684394 0.352113 0.066 Uiso 1 1 calc R U . . .
C7 C 0.8238(3) 0.6287(2) 0.30772(18) 0.0398(7) Uani 1 1 d . . . . .
H7 H 0.754084 0.652141 0.305046 0.048 Uiso 1 1 calc R U . . .
C6 C 0.9148(3) 0.6809(3) 0.3326(2) 0.0492(9) Uani 1 1 d . . . . .
H6 H 0.907251 0.739340 0.347601 0.059 Uiso 1 1 calc R U . . .
C8 C 0.9576(3) 0.4161(3) 0.2685(2) 0.0442(8) Uani 1 1 d . . . . .
H8A H 0.888448 0.385825 0.249110 0.066 Uiso 1 1 calc R U . . .
H8B H 1.000144 0.383486 0.308453 0.066 Uiso 1 1 calc R U . . .
H8C H 0.997966 0.419184 0.234240 0.066 Uiso 1 1 calc R U . . .
C9 C 0.7190(3) 0.5023(2) 0.39725(16) 0.0317(6) Uani 1 1 d . . . . .
H9 H 0.708723 0.563184 0.377486 0.038 Uiso 1 1 calc R U . . .
C10 C 0.8385(3) 0.4991(2) 0.44040(17) 0.0363(7) Uani 1 1 d . . . . .
H10A H 0.853009 0.442340 0.465345 0.044 Uiso 1 1 calc R U . . .
H10B H 0.886647 0.502991 0.410078 0.044 Uiso 1 1 calc R U . . .
C11 C 0.8625(3) 0.5757(2) 0.4913(2) 0.0440(8) Uani 1 1 d . . . . .
H11A H 0.938693 0.571899 0.519543 0.053 Uiso 1 1 calc R U . . .
H11B H 0.853338 0.632340 0.466070 0.053 Uiso 1 1 calc R U . . .
C12 C 0.7874(3) 0.5740(3) 0.5375(2) 0.0461(9) Uani 1 1 d . . . . .
H12A H 0.801965 0.520339 0.566306 0.055 Uiso 1 1 calc R U . . .
H12B H 0.801815 0.626166 0.567899 0.055 Uiso 1 1 calc R U . . .
C13 C 0.6697(3) 0.5745(2) 0.49539(19) 0.0420(8) Uani 1 1 d . . . . .
H13A H 0.653541 0.630981 0.470189 0.050 Uiso 1 1 calc R U . . .
H13B H 0.622435 0.570364 0.526272 0.050 Uiso 1 1 calc R U . . .
C14 C 0.6443(3) 0.4978(2) 0.44465(17) 0.0356(7) Uani 1 1 d . . . . .
H14A H 0.567636 0.501019 0.417179 0.043 Uiso 1 1 calc R U . . .
H14B H 0.655349 0.441001 0.469672 0.043 Uiso 1 1 calc R U . . .
C15 C 0.7646(3) 0.3252(2) 0.34687(17) 0.0336(7) Uani 1 1 d . . . . .
H15 H 0.842277 0.342855 0.355486 0.040 Uiso 1 1 calc R U . . .
C16 C 0.7559(3) 0.2790(2) 0.41304(18) 0.0362(7) Uani 1 1 d . . . . .
H16A H 0.770128 0.322207 0.450933 0.043 Uiso 1 1 calc R U . . .
H16B H 0.681892 0.255151 0.406178 0.043 Uiso 1 1 calc R U . . .
C17 C 0.8390(3) 0.2037(2) 0.43097(19) 0.0422(8) Uani 1 1 d . . . . .
H17A H 0.912940 0.228256 0.438985 0.051 Uiso 1 1 calc R U . . .
H17B H 0.834405 0.174734 0.473582 0.051 Uiso 1 1 calc R U . . .
C18 C 0.8190(3) 0.1357(2) 0.3740(2) 0.0426(8) Uani 1 1 d . . . . .
H18A H 0.747393 0.107612 0.368435 0.051 Uiso 1 1 calc R U . . .
H18B H 0.875079 0.089086 0.386184 0.051 Uiso 1 1 calc R U . . .
C19 C 0.8219(3) 0.1791(2) 0.30695(19) 0.0402(7) Uani 1 1 d . . . . .
H19A H 0.802854 0.134756 0.269855 0.048 Uiso 1 1 calc R U . . .
H19B H 0.896276 0.200269 0.310802 0.048 Uiso 1 1 calc R U . . .
C20 C 0.7426(3) 0.2570(2) 0.28891(18) 0.0355(7) Uani 1 1 d . . . . .
H20A H 0.667442 0.234817 0.279978 0.043 Uiso 1 1 calc R U . . .
H20B H 0.749709 0.285712 0.246760 0.043 Uiso 1 1 calc R U . . .
C21 C 0.5364(2) 0.4103(2) 0.30117(16) 0.0299(6) Uani 1 1 d . . . . .
H21 H 0.506721 0.468312 0.311016 0.036 Uiso 1 1 calc R U . . .
C22 C 0.5042(3) 0.3440(2) 0.34949(17) 0.0343(7) Uani 1 1 d . . . . .
H22A H 0.518645 0.283001 0.336872 0.041 Uiso 1 1 calc R U . . .
H22B H 0.547879 0.354826 0.397011 0.041 Uiso 1 1 calc R U . . .
C23 C 0.3841(3) 0.3544(2) 0.34439(18) 0.0369(7) Uani 1 1 d . . . . .
H23A H 0.370384 0.414912 0.358412 0.044 Uiso 1 1 calc R U . . .
H23B H 0.363685 0.312239 0.375823 0.044 Uiso 1 1 calc R U . . .
C24 C 0.3145(3) 0.3375(2) 0.27166(19) 0.0413(8) Uani 1 1 d . . . . .
H24A H 0.237464 0.349310 0.268712 0.050 Uiso 1 1 calc R U . . .
H24B H 0.321070 0.274832 0.259603 0.050 Uiso 1 1 calc R U . . .
C25 C 0.3503(3) 0.3969(2) 0.22138(19) 0.0392(7) Uani 1 1 d . . . . .
H25A H 0.334219 0.459130 0.229727 0.047 Uiso 1 1 calc R U . . .
H25B H 0.308316 0.381486 0.174297 0.047 Uiso 1 1 calc R U . . .
C26 C 0.4714(3) 0.3875(2) 0.22786(16) 0.0330(6) Uani 1 1 d . . . . .
H26A H 0.492031 0.427731 0.195324 0.040 Uiso 1 1 calc R U . . .
H26B H 0.487555 0.326183 0.216885 0.040 Uiso 1 1 calc R U . . .
C27 C 0.7803(3) 0.5242(2) 0.11942(17) 0.0344(7) Uani 1 1 d . . . . .
H27 H 0.848797 0.488979 0.129654 0.041 Uiso 1 1 calc R U . . .
C28 C 0.7225(3) 0.5180(3) 0.04258(18) 0.0413(8) Uani 1 1 d . . . . .
H28A H 0.704947 0.455482 0.030160 0.050 Uiso 1 1 calc R U . . .
H28B H 0.653591 0.551387 0.032568 0.050 Uiso 1 1 calc R U . . .
C29 C 0.7925(4) 0.5548(3) -0.0006(2) 0.0508(10) Uani 1 1 d . . . . .
H29A H 0.859026 0.518684 0.006753 0.061 Uiso 1 1 calc R U . . .
H29B H 0.752127 0.550839 -0.049514 0.061 Uiso 1 1 calc R U . . .
C30 C 0.8238(3) 0.6505(3) 0.01738(19) 0.0443(8) Uani 1 1 d . . . . .
H30A H 0.874074 0.670896 -0.008519 0.053 Uiso 1 1 calc R U . . .
H30B H 0.758199 0.688132 0.004450 0.053 Uiso 1 1 calc R U . . .
C31 C 0.8779(3) 0.6595(3) 0.0933(2) 0.0441(8) Uani 1 1 d . . . . .
H31A H 0.892267 0.722692 0.104643 0.053 Uiso 1 1 calc R U . . .
H31B H 0.948354 0.628271 0.104754 0.053 Uiso 1 1 calc R U . . .
C32 C 0.8083(3) 0.6218(2) 0.13638(18) 0.0404(8) Uani 1 1 d . . . . .
H32A H 0.740524 0.656435 0.128096 0.048 Uiso 1 1 calc R U . . .
H32B H 0.847870 0.627315 0.185316 0.048 Uiso 1 1 calc R U . . .
C33 C 0.6406(3) 0.3673(2) 0.13173(16) 0.0315(6) Uani 1 1 d . . . . .
H33 H 0.619103 0.336122 0.169191 0.038 Uiso 1 1 calc R U . . .
C34 C 0.5366(3) 0.3723(2) 0.07196(16) 0.0317(6) Uani 1 1 d . . . . .
H34A H 0.482123 0.409699 0.084762 0.038 Uiso 1 1 calc R U . . .
H34B H 0.553057 0.399044 0.031667 0.038 Uiso 1 1 calc R U . . .
C35 C 0.4917(3) 0.2790(2) 0.05467(17) 0.0340(7) Uani 1 1 d . . . . .
H35A H 0.467922 0.255449 0.093445 0.041 Uiso 1 1 calc R U . . .
H35B H 0.427533 0.281610 0.014387 0.041 Uiso 1 1 calc R U . . .
C36 C 0.5755(3) 0.2169(2) 0.03965(18) 0.0373(7) Uani 1 1 d . . . . .
H36A H 0.592561 0.236291 -0.002548 0.045 Uiso 1 1 calc R U . . .
H36B H 0.544750 0.156561 0.031813 0.045 Uiso 1 1 calc R U . . .
C37 C 0.6797(3) 0.2147(2) 0.09826(19) 0.0387(7) Uani 1 1 d . . . . .
H37A H 0.733682 0.176501 0.085694 0.046 Uiso 1 1 calc R U . . .
H37B H 0.664308 0.189325 0.139338 0.046 Uiso 1 1 calc R U . . .
C38 C 0.7260(3) 0.3078(2) 0.11423(18) 0.0361(7) Uani 1 1 d . . . . .
H38A H 0.745984 0.331981 0.074264 0.043 Uiso 1 1 calc R U . . .
H38B H 0.792102 0.305834 0.153256 0.043 Uiso 1 1 calc R U . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pd Pd 0.1215 3.9337 '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
P2 Pd1 C1 49.05(9) . . ?
P2 Pd1 Cl1 105.26(3) . . ?
C1 Pd1 Cl1 154.29(9) . . ?
P2 Pd1 Cl2 155.90(3) . . ?
C1 Pd1 Cl2 106.91(8) . . ?
Cl1 Pd1 Cl2 98.72(3) . . ?
C1 P1 C15 111.22(14) . . ?
C1 P1 C21 114.33(15) . . ?
C15 P1 C21 113.99(15) . . ?
C1 P1 C9 103.19(14) . . ?
C15 P1 C9 107.59(15) . . ?
C21 P1 C9 105.51(14) . . ?
C2 C1 P2 114.7(2) . . ?
C2 C1 P1 114.2(2) . . ?
P2 C1 P1 129.38(18) . . ?
C2 C1 Pd1 115.0(2) . . ?
P2 C1 Pd1 64.28(10) . . ?
P1 C1 Pd1 105.27(15) . . ?
C1 P2 C33 117.43(14) . . ?
C1 P2 C27 117.35(15) . . ?
C33 P2 C27 110.16(14) . . ?
C1 P2 Pd1 66.67(10) . . ?
C33 P2 Pd1 121.99(10) . . ?
C27 P2 Pd1 117.35(11) . . ?
C3 C2 C7 119.0(3) . . ?
C3 C2 C1 122.9(3) . . ?
C7 C2 C1 118.1(3) . . ?
C4 C3 C2 118.3(4) . . ?
C4 C3 C8 117.3(4) . . ?
C2 C3 C8 124.4(3) . . ?
C5 C4 C3 121.9(4) . . ?
C6 C5 C4 119.7(4) . . ?
C6 C7 C2 121.0(4) . . ?
C5 C6 C7 120.1(4) . . ?
C14 C9 C10 109.5(3) . . ?
C14 C9 P1 116.3(2) . . ?
C10 C9 P1 114.8(2) . . ?
C11 C10 C9 110.2(3) . . ?
C12 C11 C10 111.3(3) . . ?
C13 C12 C11 110.6(3) . . ?
C12 C13 C14 111.8(3) . . ?
C13 C14 C9 109.8(3) . . ?
C20 C15 C16 108.9(3) . . ?
C20 C15 P1 112.6(2) . . ?
C16 C15 P1 116.5(2) . . ?
C17 C16 C15 109.3(3) . . ?
C18 C17 C16 111.2(3) . . ?
C17 C18 C19 110.6(3) . . ?
C18 C19 C20 111.5(3) . . ?
C19 C20 C15 111.4(3) . . ?
C26 C21 C22 107.8(3) . . ?
C26 C21 P1 120.3(2) . . ?
C22 C21 P1 112.5(2) . . ?
C23 C22 C21 109.6(3) . . ?
C22 C23 C24 111.0(3) . . ?
C23 C24 C25 110.5(3) . . ?
C24 C25 C26 112.0(3) . . ?
C25 C26 C21 109.2(3) . . ?
C32 C27 C28 107.7(3) . . ?
C32 C27 P2 113.5(2) . . ?
C28 C27 P2 108.2(2) . . ?
C29 C28 C27 111.8(3) . . ?
C30 C29 C28 111.5(3) . . ?
C31 C30 C29 110.3(3) . . ?
C30 C31 C32 112.3(3) . . ?
C31 C32 C27 111.6(3) . . ?
C38 C33 C34 111.3(3) . . ?
C38 C33 P2 115.3(2) . . ?
C34 C33 P2 113.0(2) . . ?
C35 C34 C33 109.1(3) . . ?
C36 C35 C34 112.0(3) . . ?
C35 C36 C37 111.7(3) . . ?
C36 C37 C38 110.6(3) . . ?
C37 C38 C33 109.2(3) . . ?
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
Pd1 P2 2.1450(8) . ?
Pd1 C1 2.186(3) . ?
Pd1 Cl1 2.3512(8) . ?
Pd1 Cl2 2.4210(7) . ?
P1 C1 1.828(3) . ?
P1 C15 1.842(3) . ?
P1 C21 1.852(3) . ?
P1 C9 1.860(3) . ?
C1 C2 1.517(5) . ?
C1 P2 1.798(3) . ?
P2 C33 1.844(3) . ?
P2 C27 1.850(3) . ?
C2 C3 1.406(5) . ?
C2 C7 1.408(5) . ?
C3 C4 1.403(5) . ?
C3 C8 1.500(6) . ?
C4 C5 1.380(7) . ?
C5 C6 1.374(6) . ?
C7 C6 1.386(5) . ?
C9 C14 1.540(4) . ?
C9 C10 1.544(5) . ?
C10 C11 1.530(5) . ?
C11 C12 1.523(6) . ?
C12 C13 1.518(6) . ?
C13 C14 1.529(5) . ?
C15 C20 1.536(5) . ?
C15 C16 1.551(4) . ?
C16 C17 1.535(5) . ?
C17 C18 1.520(5) . ?
C18 C19 1.527(5) . ?
C19 C20 1.535(4) . ?
C21 C26 1.536(5) . ?
C21 C22 1.542(4) . ?
C22 C23 1.525(5) . ?
C23 C24 1.526(5) . ?
C24 C25 1.527(5) . ?
C25 C26 1.530(5) . ?
C27 C32 1.538(5) . ?
C27 C28 1.540(5) . ?
C28 C29 1.528(5) . ?
C29 C30 1.521(6) . ?
C30 C31 1.517(5) . ?
C31 C32 1.526(5) . ?
C33 C38 1.536(4) . ?
C33 C34 1.540(5) . ?
C34 C35 1.529(4) . ?
C35 C36 1.523(4) . ?
C36 C37 1.527(5) . ?
C37 C38 1.530(5) . ?
