#------------------------------------------------------------------------------
#$Date: 2018-10-05 15:19:55 +0300 (Fri, 05 Oct 2018) $
#$Revision: 211332 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/30/22/4302270.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_4302270
loop_
_publ_author_name
'Tonks, Ian A.'
'Henling, Larry M.'
'Day, Michael W.'
'Bercaw, John E.'
_publ_section_title
;
 Amine, Amido, and Imido Complexes of Tantalum Supported by a Pyridine-Linked
 Bis(phenolate) Pincer Ligand: Ta--N π-Bonding Influences Pincer Ligand
 Geometry
;
_journal_coden_ASTM              INOCAJ
_journal_issue                   12
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5096
_journal_page_last               5105
_journal_paper_doi               10.1021/ic802234x
_journal_volume                  48
_journal_year                    2009
_chemical_formula_moiety         'C66 H86 N2 O8 Ta2, 4(C H2 Cl2)'
_chemical_formula_sum            'C70 H94 Cl8 N2 O8 Ta2'
_chemical_formula_weight         1736.97
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 103.542(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   16.0570(7)
_cell_length_b                   12.8407(6)
_cell_length_c                   18.4561(9)
_cell_measurement_reflns_used    9853
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      51.25
_cell_measurement_theta_min      2.87
_cell_volume                     3699.5(3)
_computing_cell_refinement       'Bruker SAINT-Plus v7.34A'
_computing_data_collection       'Bruker APEX2 v2.1-0'
_computing_data_reduction        'Bruker SAINT-Plus v7.34A'
_computing_molecular_graphics    'Bruker XP v5.1'
_computing_publication_material  'Bruker XCIF 2008'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Bruker KAPPA APEX II'
_diffrn_measurement_method       'ω scans; 31 settings'
_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  0.0418
_diffrn_reflns_av_sigmaI/netI    0.0277
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -35
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       40
_diffrn_reflns_limit_l_min       -40
_diffrn_reflns_number            331499
_diffrn_reflns_theta_full        51.56
_diffrn_reflns_theta_max         51.56
_diffrn_reflns_theta_min         1.95
_exptl_absorpt_coefficient_mu    3.297
_exptl_absorpt_correction_T_max  0.7501
_exptl_absorpt_correction_T_min  0.6005
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS, Bruker-AXS, Madison, WI'
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.559
_exptl_crystal_density_meas      0
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             1748
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.14
_refine_diff_density_max         3.987
_refine_diff_density_min         -2.005
_refine_diff_density_rms         0.133
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.629
_refine_ls_hydrogen_treatment    Riding
_refine_ls_matrix_type           'Full matrix'
_refine_ls_number_parameters     418
_refine_ls_number_reflns         41036
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.629
_refine_ls_R_factor_all          0.0440
_refine_ls_R_factor_gt           0.0250
_refine_ls_shift/su_max          0.009
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     w=1/s²(Fo²)
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_gt          0.0388
_refine_ls_wR_factor_ref         0.0400
_reflns_number_gt                31962
_reflns_number_total             41036
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic802234x_si_002_1.cif
_cod_data_source_block           complex7
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_refine_ls_weighting_scheme' value 'Sigma' changed to
'sigma' 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 

The following automatic conversions were performed:

'_atom_sites_solution_primary' value 'Direct methods' was changed to
'direct'.

'_atom_sites_solution_secondary' value 'Difference Fourier map' was
changed to 'difmap'.

'_atom_sites_solution_hydrogens' value 'Geometric positions' was
changed to 'geom'.

Automatic conversion script
Id: cif_fix_values 6452 2018-10-05 10:23:21Z andrius 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4302270
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ta1 Ta 0.520852(1) 0.916334(2) 0.450679(2) 0.00880(1) Uani 1 1 d . . .
O1 O 0.45200(3) 0.79539(4) 0.41031(3) 0.01079(8) Uani 1 1 d . . .
O2 O 0.63247(3) 0.84908(4) 0.45924(3) 0.01099(8) Uani 1 1 d . . .
O3 O 0.42358(3) 0.97683(4) 0.48012(3) 0.01053(8) Uani 1 1 d . . .
O4 O 0.51493(4) 0.98892(6) 0.34925(4) 0.02623(14) Uani 1 1 d . . .
N1 N 0.53317(3) 0.81090(4) 0.55420(3) 0.01019(9) Uani 1 1 d . . .
C1 C 0.38143(4) 0.75957(5) 0.43068(4) 0.01003(9) Uani 1 1 d . . .
C2 C 0.30830(4) 0.73177(5) 0.37559(4) 0.01099(10) Uani 1 1 d . . .
C3 C 0.23470(4) 0.70603(5) 0.39975(4) 0.01215(10) Uani 1 1 d . . .
H3 H 0.1849 0.6864 0.3634 0.015 Uiso 1 1 calc R . .
C4 C 0.23040(4) 0.70754(5) 0.47423(4) 0.01141(10) Uani 1 1 d . . .
C5 C 0.30573(4) 0.72939(5) 0.52727(4) 0.01172(10) Uani 1 1 d . . .
H5 H 0.3050 0.7287 0.5786 0.014 Uiso 1 1 calc R . .
C6 C 0.38257(4) 0.75243(5) 0.50687(4) 0.01036(9) Uani 1 1 d . . .
C7 C 0.46399(4) 0.75652(5) 0.56531(4) 0.01136(10) Uani 1 1 d . . .
C8 C 0.46980(4) 0.69898(6) 0.63003(4) 0.01574(12) Uani 1 1 d . . .
H8 H 0.4213 0.6617 0.6374 0.019 Uiso 1 1 calc R . .
C9 C 0.54619(5) 0.69582(7) 0.68387(5) 0.01999(15) Uani 1 1 d . . .
H9 H 0.5499 0.6589 0.7291 0.024 Uiso 1 1 calc R . .
C10 C 0.61684(4) 0.74721(7) 0.67061(4) 0.01782(13) Uani 1 1 d . . .
H10 H 0.6702 0.7437 0.7061 0.021 Uiso 1 1 calc R . .
C11 C 0.60976(4) 0.80409(5) 0.60520(4) 0.01168(10) Uani 1 1 d . . .
C12 C 0.68832(4) 0.85207(5) 0.59016(4) 0.01123(10) Uani 1 1 d . . .
C13 C 0.75578(4) 0.87986(6) 0.65096(4) 0.01275(11) Uani 1 1 d . . .
H13 H 0.7470 0.8768 0.7000 0.015 Uiso 1 1 calc R . .
C14 C 0.83466(4) 0.91158(5) 0.64049(4) 0.01259(10) Uani 1 1 d . . .
C15 C 0.84644(4) 0.91044(6) 0.56767(4) 0.01325(11) Uani 1 1 d . . .
H15 H 0.9015 0.9278 0.5605 0.016 Uiso 1 1 calc R . .
C16 C 0.78217(4) 0.88540(5) 0.50515(4) 0.01161(10) Uani 1 1 d . . .
C17 C 0.70063(4) 0.86148(5) 0.51793(4) 0.01060(10) Uani 1 1 d . . .
C18 C 0.30824(4) 0.73245(6) 0.29278(4) 0.01330(11) Uani 1 1 d . . .
C19 C 0.32356(5) 0.84347(6) 0.26770(5) 0.01785(13) Uani 1 1 d . . .
H19A H 0.3823 0.8649 0.2910 0.027 Uiso 1 1 calc R . .
H19B H 0.2831 0.8913 0.2827 0.027 Uiso 1 1 calc R . .
H19C H 0.3150 0.8450 0.2134 0.027 Uiso 1 1 calc R . .
C20 C 0.22209(5) 0.69516(7) 0.24442(5) 0.01935(14) Uani 1 1 d . . .
H20A H 0.1769 0.7442 0.2491 0.029 Uiso 1 1 calc R . .
H20B H 0.2088 0.6260 0.2611 0.029 Uiso 1 1 calc R . .
H20C H 0.2257 0.6916 0.1922 0.029 Uiso 1 1 calc R . .
C21 C 0.37763(5) 0.65867(7) 0.27756(5) 0.02007(14) Uani 1 1 d . . .
H21A H 0.3671 0.5880 0.2934 0.030 Uiso 1 1 calc R . .
H21B H 0.4341 0.6824 0.3054 0.030 Uiso 1 1 calc R . .
H21C H 0.3759 0.6586 0.2241 0.030 Uiso 1 1 calc R . .
C22 C 0.14625(4) 0.68826(6) 0.49782(4) 0.01233(10) Uani 1 1 d . . .
C23 C 0.11956(5) 0.78991(6) 0.52990(5) 0.01695(13) Uani 1 1 d . . .
H23A H 0.0665 0.7785 0.5463 0.025 Uiso 1 1 calc R . .
H23B H 0.1102 0.8441 0.4914 0.025 Uiso 1 1 calc R . .
H23C H 0.1650 0.8121 0.5724 0.025 Uiso 1 1 calc R . .
C24 C 0.07325(4) 0.65602(6) 0.43199(5) 0.01665(13) Uani 1 1 d . . .
H24A H 0.0902 0.5938 0.4082 0.025 Uiso 1 1 calc R . .
H24B H 0.0611 0.7129 0.3956 0.025 Uiso 1 1 calc R . .
H24C H 0.0218 0.6407 0.4500 0.025 Uiso 1 1 calc R . .
C25 C 0.15853(5) 0.60226(6) 0.55701(5) 0.01801(14) Uani 1 1 d . . .
H25A H 0.1776 0.5383 0.5369 0.027 Uiso 1 1 calc R . .
H25B H 0.1041 0.5894 0.5708 0.027 Uiso 1 1 calc R . .
H25C H 0.2018 0.6242 0.6012 0.027 Uiso 1 1 calc R . .
C26 C 0.90736(4) 0.94976(6) 0.70457(4) 0.01425(12) Uani 1 1 d . . .
C27 C 0.88461(5) 0.94127(7) 0.78014(5) 0.02073(15) Uani 1 1 d . . .
H27A H 0.8332 0.9827 0.7796 0.031 Uiso 1 1 calc R . .
H27B H 0.9324 0.9674 0.8191 0.031 Uiso 1 1 calc R . .
H27C H 0.8736 0.8682 0.7902 0.031 Uiso 1 1 calc R . .
C28 C 0.98905(5) 0.88521(7) 0.70796(5) 0.02177(16) Uani 1 1 d . . .
H28A H 1.0358 0.9126 0.7474 0.033 Uiso 1 1 calc R . .
H28B H 1.0050 0.8896 0.6600 0.033 Uiso 1 1 calc R . .
H28C H 0.9783 0.8123 0.7187 0.033 Uiso 1 1 calc R . .
C29 C 0.92559(5) 1.06424(6) 0.69024(5) 0.02063(15) Uani 1 1 d . . .
H29A H 0.9684 1.0917 0.7328 0.031 Uiso 1 1 calc R . .
H29B H 0.8726 1.1047 0.6837 0.031 Uiso 1 1 calc R . .
H29C H 0.9475 1.0695 0.6451 0.031 Uiso 1 1 calc R . .
C30 C 0.79835(4) 0.88346(6) 0.42665(4) 0.01385(11) Uani 1 1 d . . .
C31 C 0.77814(5) 0.77488(7) 0.39235(5) 0.02147(15) Uani 1 1 d . . .
H31A H 0.7186 0.7569 0.3913 0.032 Uiso 1 1 calc R . .
H31B H 0.8165 0.7236 0.4224 0.032 Uiso 1 1 calc R . .
H31C H 0.7865 0.7748 0.3414 0.032 Uiso 1 1 calc R . .
C32 C 0.74260(5) 0.96498(7) 0.37626(5) 0.01880(14) Uani 1 1 d . . .
H32A H 0.7485 1.0324 0.4018 0.028 Uiso 1 1 calc R . .
H32B H 0.6825 0.9429 0.3653 0.028 Uiso 1 1 calc R . .
H32C H 0.7613 0.9714 0.3296 0.028 Uiso 1 1 calc R . .
C33 C 0.89235(5) 0.90733(7) 0.42722(5) 0.02152(15) Uani 1 1 d . . .
H33A H 0.9297 0.8571 0.4593 0.032 Uiso 1 1 calc R . .
H33B H 0.9066 0.9779 0.4463 0.032 Uiso 1 1 calc R . .
H33C H 0.9007 0.9022 0.3764 0.032 Uiso 1 1 calc R . .
C41 C 0.17091(5) 0.36884(8) 0.39990(6) 0.02371(16) Uani 1 1 d . . .
H41A H 0.2028 0.4223 0.4341 0.028 Uiso 1 1 calc R . .
H41B H 0.2002 0.3012 0.4129 0.028 Uiso 1 1 calc R . .
Cl1 Cl 0.172551(19) 0.40137(3) 0.307702(19) 0.04180(7) Uani 1 1 d . . .
Cl2 Cl 0.065860(14) 0.360186(18) 0.412396(16) 0.02866(5) Uani 1 1 d . . .
C42 C 0.42850(8) 0.41015(10) 0.56958(9) 0.0443(3) Uani 1 1 d . . .
H42A H 0.4263 0.3335 0.5634 0.053 Uiso 1 1 calc R . .
H42B H 0.4895 0.4310 0.5835 0.053 Uiso 1 1 calc R . .
Cl3 Cl 0.37995(2) 0.44396(2) 0.64196(3) 0.05271(9) Uani 1 1 d . . .
Cl4 Cl 0.379488(17) 0.46879(2) 0.48387(2) 0.04827(9) Uani 1 1 d . . .
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'
N N 0.0061 0.0033 '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'
Ta Ta -0.7052 6.5227 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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
O3 Ta1 O3 78.95(2) . 3_676 yes
O3 Ta1 O1 90.25(2) . . yes
O3 Ta1 O1 160.96(2) 3_676 . yes
O3 Ta1 O2 159.60(2) . . yes
O3 Ta1 O2 89.29(2) 3_676 . yes
O1 Ta1 O2 96.07(2) . . yes
O3 Ta1 O4 101.76(2) . . yes
O3 Ta1 O4 101.13(2) 3_676 . yes
O1 Ta1 O4 96.37(2) . . yes
O2 Ta1 O4 96.80(2) . . yes
O3 Ta1 N1 85.50(2) . . yes
O3 Ta1 N1 86.16(2) 3_676 . yes
O1 Ta1 N1 77.32(2) . . yes
O2 Ta1 N1 77.05(2) . . yes
O4 Ta1 N1 170.51(2) . . yes
O3 Ta1 Ta1 39.603(14) . 3_676 yes
O3 Ta1 Ta1 39.348(14) 3_676 3_676 yes
O1 Ta1 Ta1 128.080(15) . 3_676 yes
O2 Ta1 Ta1 126.687(15) . 3_676 yes
O4 Ta1 Ta1 104.896(19) . 3_676 yes
N1 Ta1 Ta1 84.590(15) . 3_676 yes
C1 O1 Ta1 126.89(4) . . ?
C17 O2 Ta1 124.29(4) . . ?
Ta1 O3 Ta1 101.05(2) . 3_676 ?
C11 N1 C7 119.74(6) . . ?
C11 N1 Ta1 119.75(4) . . ?
C7 N1 Ta1 120.50(4) . . ?
O1 C1 C6 118.95(5) . . ?
O1 C1 C2 119.73(6) . . ?
C6 C1 C2 121.31(6) . . ?
C3 C2 C1 117.03(6) . . ?
C3 C2 C18 121.20(6) . . ?
C1 C2 C18 121.74(6) . . ?
C4 C3 C2 123.56(6) . . ?
C3 C4 C5 117.41(6) . . ?
C3 C4 C22 121.91(6) . . ?
C5 C4 C22 120.67(6) . . ?
C4 C5 C6 121.78(7) . . ?
C5 C6 C1 118.43(6) . . ?
C5 C6 C7 119.43(6) . . ?
C1 C6 C7 121.76(6) . . ?
N1 C7 C8 120.48(6) . . ?
N1 C7 C6 121.06(6) . . ?
C8 C7 C6 118.37(6) . . ?
C9 C8 C7 120.12(7) . . ?
C10 C9 C8 118.94(7) . . ?
C9 C10 C11 119.99(6) . . ?
N1 C11 C10 120.59(6) . . ?
N1 C11 C12 120.74(6) . . ?
C10 C11 C12 118.58(6) . . ?
C17 C12 C13 118.88(6) . . ?
C17 C12 C11 121.96(6) . . ?
C13 C12 C11 118.89(7) . . ?
C14 C13 C12 121.32(7) . . ?
C13 C14 C15 117.62(6) . . ?
C13 C14 C26 122.78(7) . . ?
C15 C14 C26 119.57(6) . . ?
C16 C15 C14 123.84(6) . . ?
C15 C16 C17 116.48(7) . . ?
C15 C16 C30 122.05(6) . . ?
C17 C16 C30 121.47(6) . . ?
O2 C17 C12 118.91(6) . . ?
O2 C17 C16 119.76(6) . . ?
C12 C17 C16 121.32(6) . . ?
C2 C18 C20 111.64(6) . . ?
C2 C18 C19 110.11(6) . . ?
C20 C18 C19 107.45(6) . . ?
C2 C18 C21 110.39(6) . . ?
C20 C18 C21 107.11(6) . . ?
C19 C18 C21 110.05(7) . . ?
C25 C22 C4 110.10(6) . . ?
C25 C22 C24 108.47(6) . . ?
C4 C22 C24 112.28(6) . . ?
C25 C22 C23 109.79(7) . . ?
C4 C22 C23 108.44(6) . . ?
C24 C22 C23 107.71(6) . . ?
C27 C26 C29 108.80(7) . . ?
C27 C26 C14 112.32(6) . . ?
C29 C26 C14 108.35(6) . . ?
C27 C26 C28 107.95(7) . . ?
C29 C26 C28 109.12(7) . . ?
C14 C26 C28 110.26(6) . . ?
C16 C30 C31 109.82(7) . . ?
C16 C30 C33 111.97(6) . . ?
C31 C30 C33 107.25(6) . . ?
C16 C30 C32 110.92(6) . . ?
C31 C30 C32 109.36(7) . . ?
C33 C30 C32 107.42(7) . . ?
Cl1 C41 Cl2 111.97(5) . . ?
Cl3 C42 Cl4 113.18(6) . . ?
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
Ta1 O3 1.9328(5) . yes
Ta1 O3 1.9431(5) 3_676 yes
Ta1 O1 1.9502(5) . yes
Ta1 O2 1.9623(5) . yes
Ta1 O4 2.0733(8) . yes
Ta1 N1 2.3119(6) . yes
Ta1 Ta1 2.99175(11) 3_676 yes
O1 C1 1.3552(8) . ?
O2 C17 1.3569(8) . ?
O3 Ta1 1.9431(5) 3_676 yes
N1 C11 1.3652(8) . ?
N1 C7 1.3677(9) . ?
C1 C6 1.4050(10) . ?
C1 C2 1.4074(9) . ?
C2 C3 1.3970(10) . ?
C2 C18 1.5283(10) . ?
C3 C4 1.3926(10) . ?
C4 C5 1.3948(9) . ?
C4 C22 1.5336(10) . ?
C5 C6 1.4032(9) . ?
C6 C7 1.4882(8) . ?
C7 C8 1.3890(10) . ?
C8 C9 1.3867(10) . ?
C9 C10 1.3829(11) . ?
C10 C11 1.3926(10) . ?
C11 C12 1.4873(9) . ?
C12 C17 1.3978(10) . ?
C12 C13 1.4108(9) . ?
C13 C14 1.3864(10) . ?
C14 C15 1.4004(11) . ?
C14 C26 1.5346(9) . ?
C15 C16 1.3936(10) . ?
C16 C17 1.4174(9) . ?
C16 C30 1.5307(11) . ?
C18 C20 1.5366(10) . ?
C18 C19 1.5364(11) . ?
C18 C21 1.5375(11) . ?
C22 C25 1.5331(11) . ?
C22 C24 1.5346(10) . ?
C22 C23 1.5352(11) . ?
C26 C27 1.5262(12) . ?
C26 C29 1.5339(11) . ?
C26 C28 1.5405(10) . ?
C30 C31 1.5341(11) . ?
C30 C33 1.5377(10) . ?
C30 C32 1.5402(11) . ?
C41 Cl1 1.7584(11) . ?
C41 Cl2 1.7586(9) . ?
C42 Cl3 1.7518(16) . ?
C42 Cl4 1.7622(15) . ?
