#------------------------------------------------------------------------------
#$Date: 2016-03-21 08:42:30 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178610 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/21/4072192.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_4072192
loop_
_publ_author_name
'Long, Richard J.'
'Jones, David J.'
'Gibson, Vernon C.'
'White, Andrew J. P.'
_publ_section_title
;
 Zirconium Complexes Containing Tetradentate O,P,P,O Ligands: Ethylene and
 Propylene Polymerization Studies
;
_journal_issue                   22
_journal_name_full               Organometallics
_journal_page_first              5960
_journal_paper_doi               10.1021/om800652w
_journal_volume                  27
_journal_year                    2008
_chemical_formula_moiety         'C68 H76 Cl4 O4 P4 Zr2, 2(C H2 Cl2)'
_chemical_formula_sum            'C70 H80 Cl8 O4 P4 Zr2'
_chemical_formula_weight         1575.26
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/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                 115.018(11)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   25.638(3)
_cell_length_b                   13.5433(15)
_cell_length_c                   23.532(3)
_cell_measurement_reflns_used    34802
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      31.8620
_cell_measurement_theta_min      3.7647
_cell_volume                     7404.2(17)
_computing_cell_refinement       'CrysAlis RED, Oxford Diffraction Ltd'
_computing_data_collection       'CrysAlis CCD, Oxford Diffraction Ltd'
_computing_data_reduction        'CrysAlis RED, Oxford Diffraction Ltd'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_detector_area_resol_mean 15.9863
_diffrn_measured_fraction_theta_full 0.931
_diffrn_measured_fraction_theta_max 0.931
_diffrn_measurement_device_type  'OD Xcalibur 3'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0242
_diffrn_reflns_av_sigmaI/netI    0.0213
_diffrn_reflns_limit_h_max       37
_diffrn_reflns_limit_h_min       -36
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            56290
_diffrn_reflns_theta_full        31.91
_diffrn_reflns_theta_max         31.91
_diffrn_reflns_theta_min         3.80
_exptl_absorpt_coefficient_mu    0.702
_exptl_absorpt_correction_T_max  1.04381
_exptl_absorpt_correction_T_min  0.96432
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
; 
CrysAlis RED, Oxford Diffraction Ltd., 
Version 1.171.29.2 (release 20-01-2006 CrysAlis171 .NET) 
(compiled Jan 20 2006,12:36:28) 
Empirical absorption correction using spherical harmonics, 
 implemented in SCALE3 ABSPACK scaling algorithm. 
;
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.413
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'prismatic blocks'
_exptl_crystal_F_000             3232
_exptl_crystal_size_max          0.37
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.22
_refine_diff_density_max         0.817
_refine_diff_density_min         -0.777
_refine_diff_density_rms         0.069
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     424
_refine_ls_number_reflns         11886
_refine_ls_number_restraints     19
_refine_ls_restrained_S_all      1.084
_refine_ls_R_factor_all          0.0458
_refine_ls_R_factor_gt           0.0342
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0435P)²+8.2541P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0852
_refine_ls_wR_factor_ref         0.0886
_reflns_number_gt                9598
_reflns_number_total             11886
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om800652w_si_002.cif
_cod_data_source_block           Compound_3
_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.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        7404.3(14)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               4072192
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -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
Zr Zr 0.560968(6) 0.541827(11) 0.466769(7) 0.01799(4) Uani 1 1 d . . .
Cl1 Cl 0.536077(19) 0.40281(3) 0.39383(2) 0.03240(9) Uani 1 1 d . . .
Cl2 Cl 0.453167(16) 0.56658(3) 0.447067(19) 0.02615(8) Uani 1 1 d . . .
P1 P 0.639911(17) 0.58593(3) 0.420295(18) 0.02048(8) Uani 1 1 d . . .
P2 P 0.663075(17) 0.44053(3) 0.532281(18) 0.01931(8) Uani 1 1 d . . .
O1 O 0.53936(5) 0.66864(9) 0.41585(6) 0.0243(2) Uani 1 1 d . . .
O2 O 0.61397(5) 0.62229(8) 0.54050(5) 0.0217(2) Uani 1 1 d . . .
C1 C 0.57197(7) 0.74153(12) 0.40811(8) 0.0245(3) Uani 1 1 d . . .
C2 C 0.62657(7) 0.71662(12) 0.41157(7) 0.0241(3) Uani 1 1 d . . .
C3 C 0.66246(8) 0.78808(15) 0.40389(9) 0.0338(4) Uani 1 1 d . . .
H3A H 0.6988 0.7703 0.4053 0.041 Uiso 1 1 calc R . .
C4 C 0.64397(10) 0.88471(16) 0.39427(11) 0.0429(5) Uani 1 1 d . . .
H4A H 0.6682 0.9347 0.3902 0.052 Uiso 1 1 calc R . .
C5 C 0.58993(10) 0.90929(15) 0.39049(11) 0.0426(5) Uani 1 1 d . . .
H5A H 0.5782 0.9764 0.3836 0.051 Uiso 1 1 calc R . .
C6 C 0.55194(8) 0.83998(14) 0.39636(9) 0.0332(4) Uani 1 1 d . . .
C7 C 0.71427(7) 0.55953(13) 0.47574(8) 0.0253(3) Uani 1 1 d . . .
H7A H 0.7404 0.5670 0.4548 0.030 Uiso 1 1 calc R . .
H7B H 0.7267 0.6061 0.5115 0.030 Uiso 1 1 calc R . .
C8 C 0.71647(7) 0.45282(13) 0.49909(8) 0.0250(3) Uani 1 1 d . . .
H8A H 0.7555 0.4377 0.5315 0.030 Uiso 1 1 calc R . .
H8B H 0.7074 0.4060 0.4639 0.030 Uiso 1 1 calc R . .
C9 C 0.69386(7) 0.52091(12) 0.59970(7) 0.0212(3) Uani 1 1 d . . .
C10 C 0.66332(7) 0.61001(11) 0.59275(7) 0.0202(3) Uani 1 1 d . . .
C11 C 0.68501(7) 0.68589(12) 0.63830(7) 0.0238(3) Uani 1 1 d . . .
C12 C 0.73839(8) 0.66817(14) 0.68806(8) 0.0303(4) Uani 1 1 d . . .
H12A H 0.7546 0.7183 0.7188 0.036 Uiso 1 1 calc R . .
C13 C 0.76918(8) 0.58067(14) 0.69505(8) 0.0308(4) Uani 1 1 d . . .
H13A H 0.8054 0.5722 0.7299 0.037 Uiso 1 1 calc R . .
C14 C 0.74679(7) 0.50622(13) 0.65101(8) 0.0257(3) Uani 1 1 d . . .
H14A H 0.7671 0.4460 0.6556 0.031 Uiso 1 1 calc R . .
C15 C 0.63388(7) 0.54694(12) 0.34383(7) 0.0240(3) Uani 1 1 d . . .
C16 C 0.67629(10) 0.4960(2) 0.33521(10) 0.0502(6) Uani 1 1 d . . .
H16A H 0.7104 0.4777 0.3705 0.060 Uiso 1 1 calc R . .
C17 C 0.66963(13) 0.4708(2) 0.27517(12) 0.0617(8) Uani 1 1 d . . .
H17A H 0.6994 0.4358 0.2698 0.074 Uiso 1 1 calc R . .
C18 C 0.62073(11) 0.49602(18) 0.22385(10) 0.0459(5) Uani 1 1 d . . .
H18A H 0.6165 0.4792 0.1829 0.055 Uiso 1 1 calc R . .
C19 C 0.57808(12) 0.5457(2) 0.23206(10) 0.0546(7) Uani 1 1 d . . .
H19A H 0.5438 0.5629 0.1966 0.065 Uiso 1 1 calc R . .
C20 C 0.58413(10) 0.5713(2) 0.29167(9) 0.0473(6) Uani 1 1 d . . .
H20A H 0.5540 0.6056 0.2967 0.057 Uiso 1 1 calc R . .
C21 C 0.49155(10) 0.86880(16) 0.38928(12) 0.0440(5) Uani 1 1 d . . .
C22 C 0.44648(10) 0.8102(2) 0.33468(13) 0.0595(7) Uani 1 1 d . . .
H22A H 0.4532 0.7393 0.3430 0.089 Uiso 1 1 calc R . .
H22B H 0.4497 0.8267 0.2957 0.089 Uiso 1 1 calc R . .
H22C H 0.4079 0.8271 0.3305 0.089 Uiso 1 1 calc R . .
C23 C 0.48009(14) 0.9795(2) 0.37511(19) 0.0775(10) Uani 1 1 d . . .
H23A H 0.5085 1.0180 0.4095 0.116 Uiso 1 1 calc R . .
H23B H 0.4413 0.9957 0.3708 0.116 Uiso 1 1 calc R . .
H23C H 0.4831 0.9953 0.3360 0.116 Uiso 1 1 calc R . .
C24 C 0.48549(10) 0.84764(18) 0.45035(12) 0.0480(5) Uani 1 1 d . . .
H24A H 0.5145 0.8855 0.4847 0.072 Uiso 1 1 calc R . .
H24B H 0.4912 0.7770 0.4599 0.072 Uiso 1 1 calc R . .
H24C H 0.4470 0.8670 0.4453 0.072 Uiso 1 1 calc R . .
C25 C 0.66981(7) 0.31294(12) 0.55814(8) 0.0249(3) Uani 1 1 d . . .
C26 C 0.68110(9) 0.28609(15) 0.61890(9) 0.0375(4) Uani 1 1 d . . .
H26A H 0.6858 0.3352 0.6495 0.045 Uiso 1 1 calc R . .
C27 C 0.68551(10) 0.18627(18) 0.63495(12) 0.0527(6) Uani 1 1 d . . .
H27A H 0.6943 0.1677 0.6770 0.063 Uiso 1 1 calc R . .
C28 C 0.67723(9) 0.11460(16) 0.59072(14) 0.0523(7) Uani 1 1 d . . .
H28A H 0.6807 0.0469 0.6023 0.063 Uiso 1 1 calc R . .
C29 C 0.66397(11) 0.14047(16) 0.52992(15) 0.0521(6) Uani 1 1 d . . .
H29A H 0.6572 0.0907 0.4991 0.062 Uiso 1 1 calc R . .
C30 C 0.66038(10) 0.23968(15) 0.51321(11) 0.0409(5) Uani 1 1 d . . .
H30A H 0.6515 0.2575 0.4711 0.049 Uiso 1 1 calc R . .
C31 C 0.65167(8) 0.78195(12) 0.63270(8) 0.0288(3) Uani 1 1 d . . .
C32 C 0.64551(10) 0.83768(14) 0.57323(10) 0.0386(4) Uani 1 1 d . . .
H32A H 0.6838 0.8525 0.5756 0.058 Uiso 1 1 calc R . .
H32B H 0.6245 0.8994 0.5699 0.058 Uiso 1 1 calc R . .
H32C H 0.6243 0.7966 0.5363 0.058 Uiso 1 1 calc R . .
C33 C 0.59177(9) 0.75813(15) 0.62961(10) 0.0379(4) Uani 1 1 d . . .
H33A H 0.5711 0.7145 0.5939 0.057 Uiso 1 1 calc R . .
H33B H 0.5700 0.8195 0.6245 0.057 Uiso 1 1 calc R . .
H33C H 0.5961 0.7253 0.6685 0.057 Uiso 1 1 calc R . .
C34 C 0.68243(11) 0.85043(16) 0.68927(10) 0.0449(5) Uani 1 1 d . . .
H34A H 0.7208 0.8669 0.6924 0.067 Uiso 1 1 calc R . .
H34B H 0.6861 0.8169 0.7277 0.067 Uiso 1 1 calc R . .
H34C H 0.6600 0.9111 0.6837 0.067 Uiso 1 1 calc R . .
C40 C 0.5976(4) 0.2374(8) 0.3096(6) 0.083(4) Uani 0.514(3) 1 d PD A 1
H40A H 0.5835 0.2836 0.2736 0.100 Uiso 0.514(3) 1 calc PR A 1
H40B H 0.5780 0.2525 0.3369 0.100 Uiso 0.514(3) 1 calc PR A 1
Cl41 Cl 0.67229(18) 0.2454(3) 0.35137(15) 0.0825(10) Uani 0.514(3) 1 d PD A 1
Cl42 Cl 0.58574(11) 0.11385(19) 0.28384(11) 0.0996(9) Uani 0.514(3) 1 d PD A 1
C43 C 0.6043(5) 0.2662(11) 0.3126(10) 0.051(4) Uiso 0.242(4) 1 d PD B 2
H43A H 0.6095 0.2986 0.2777 0.061 Uiso 0.242(4) 1 calc PR B 2
H43B H 0.5892 0.3157 0.3328 0.061 Uiso 0.242(4) 1 calc PR B 2
Cl44 Cl 0.6699(3) 0.2194(4) 0.3672(3) 0.0597(13) Uiso 0.242(4) 1 d PD B 2
Cl45 Cl 0.5558(3) 0.1668(5) 0.2841(3) 0.108(2) Uiso 0.242(4) 1 d PD B 2
C46 C 0.6058(5) 0.2488(18) 0.3185(12) 0.064(7) Uiso 0.244(4) 1 d PD C 3
H46A H 0.6005 0.2383 0.2747 0.077 Uiso 0.244(4) 1 calc PR C 3
H46B H 0.5947 0.3180 0.3212 0.077 Uiso 0.244(4) 1 calc PR C 3
Cl47 Cl 0.67981(17) 0.2393(3) 0.36632(19) 0.0296(7) Uiso 0.244(4) 1 d PD C 3
Cl48 Cl 0.55553(19) 0.1730(4) 0.3301(2) 0.0955(18) Uiso 0.244(4) 1 d PD C 3
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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 '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'
Zr Zr -2.9673 0.5597 '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
O2 Zr O1 88.11(5) . .
O2 Zr Cl1 154.59(3) . .
O1 Zr Cl1 108.17(4) . .
O2 Zr Cl2 111.09(3) . .
O1 Zr Cl2 77.51(3) . .
Cl1 Zr Cl2 91.814(17) . .
O2 Zr Cl2 84.33(3) . 5_666
O1 Zr Cl2 145.90(3) . 5_666
Cl1 Zr Cl2 91.776(18) . 5_666
Cl2 Zr Cl2 74.409(16) . 5_666
O2 Zr P1 83.27(3) . .
O1 Zr P1 69.15(3) . .
Cl1 Zr P1 84.564(15) . .
Cl2 Zr P1 143.292(14) . .
Cl2 Zr P1 142.067(14) 5_666 .
O2 Zr P2 69.78(3) . .
O1 Zr P2 134.69(3) . .
Cl1 Zr P2 85.072(18) . .
Cl2 Zr P2 146.858(14) . .
Cl2 Zr P2 72.726(15) 5_666 .
P1 Zr P2 69.345(14) . .
Zr Cl2 Zr 105.591(16) . 5_666
C2 P1 C15 103.91(8) . .
C2 P1 C7 111.33(8) . .
C15 P1 C7 105.98(8) . .
C2 P1 Zr 97.07(5) . .
C15 P1 Zr 124.28(6) . .
C7 P1 Zr 113.23(5) . .
C9 P2 C25 109.55(8) . .
C9 P2 C8 100.97(8) . .
C25 P2 C8 104.17(8) . .
C9 P2 Zr 98.57(5) . .
C25 P2 Zr 126.19(5) . .
C8 P2 Zr 114.46(6) . .
C1 O1 Zr 131.69(10) . .
C10 O2 Zr 138.51(10) . .
O1 C1 C2 118.20(15) . .
O1 C1 C6 121.30(15) . .
C2 C1 C6 120.50(15) . .
C3 C2 C1 121.25(16) . .
C3 C2 P1 126.30(14) . .
C1 C2 P1 112.27(12) . .
C4 C3 C2 118.62(18) . .
C3 C4 C5 120.14(18) . .
C4 C5 C6 123.28(19) . .
C5 C6 C1 116.16(17) . .
C5 C6 C21 122.01(18) . .
C1 C6 C21 121.83(17) . .
C8 C7 P1 107.90(11) . .
C7 C8 P2 108.28(11) . .
C14 C9 C10 120.72(15) . .
C14 C9 P2 125.22(12) . .
C10 C9 P2 113.50(11) . .
O2 C10 C9 118.14(13) . .
O2 C10 C11 121.05(14) . .
C9 C10 C11 120.78(14) . .
C12 C11 C10 116.22(15) . .
C12 C11 C31 122.14(15) . .
C10 C11 C31 121.64(15) . .
C13 C12 C11 123.41(16) . .
C14 C13 C12 119.72(16) . .
C13 C14 C9 119.13(16) . .
C16 C15 C20 118.60(17) . .
C16 C15 P1 123.42(14) . .
C20 C15 P1 117.97(14) . .
C15 C16 C17 120.5(2) . .
C18 C17 C16 120.6(2) . .
C19 C18 C17 119.24(19) . .
C18 C19 C20 120.8(2) . .
C15 C20 C19 120.2(2) . .
C6 C21 C24 110.31(17) . .
C6 C21 C22 109.06(19) . .
C24 C21 C22 110.4(2) . .
C6 C21 C23 111.3(2) . .
C24 C21 C23 107.4(2) . .
C22 C21 C23 108.4(2) . .
C26 C25 C30 119.38(18) . .
C26 C25 P2 123.07(14) . .
C30 C25 P2 117.48(15) . .
C25 C26 C27 119.5(2) . .
C28 C27 C26 120.7(2) . .
C29 C28 C27 120.1(2) . .
C28 C29 C30 120.0(2) . .
C29 C30 C25 120.2(2) . .
C11 C31 C32 109.51(15) . .
C11 C31 C34 111.99(16) . .
C32 C31 C34 108.02(16) . .
C11 C31 C33 109.58(14) . .
C32 C31 C33 110.06(17) . .
C34 C31 C33 107.64(16) . .
Cl41 C40 Cl42 103.9(6) . .
Cl44 C43 Cl45 108.0(9) . .
Cl47 C46 Cl48 121.5(12) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zr O2 2.0125(11) .
Zr O1 2.0324(12) .
Zr Cl1 2.4437(5) .
Zr Cl2 2.6234(5) .
Zr Cl2 2.6495(5) 5_666
Zr P1 2.7425(5) .
Zr P2 2.7746(5) .
Cl2 Zr 2.6495(4) 5_666
P1 C2 1.7980(17) .
P1 C15 1.8181(16) .
P1 C7 1.8332(17) .
P2 C9 1.8072(16) .
P2 C25 1.8158(17) .
P2 C8 1.8483(16) .
O1 C1 1.355(2) .
O2 C10 1.3508(19) .
C1 C2 1.408(2) .
C1 C6 1.413(2) .
C2 C3 1.399(2) .
C3 C4 1.378(3) .
C4 C5 1.391(3) .
C5 C6 1.401(3) .
C6 C21 1.536(3) .
C7 C8 1.539(2) .
C9 C14 1.398(2) .
C9 C10 1.410(2) .
C10 C11 1.418(2) .
C11 C12 1.395(2) .
C11 C31 1.531(2) .
C12 C13 1.395(3) .
C13 C14 1.385(3) .
C15 C16 1.374(3) .
C15 C20 1.385(3) .
C16 C17 1.392(3) .
C17 C18 1.366(4) .
C18 C19 1.365(4) .
C19 C20 1.389(3) .
C21 C24 1.536(3) .
C21 C22 1.537(4) .
C21 C23 1.537(3) .
C25 C26 1.382(3) .
C25 C30 1.395(3) .
C26 C27 1.395(3) .
C27 C28 1.373(4) .
C28 C29 1.369(4) .
C29 C30 1.392(3) .
C31 C32 1.538(3) .
C31 C34 1.538(3) .
C31 C33 1.541(3) .
C40 Cl41 1.747(9) .
C40 Cl42 1.762(10) .
C43 Cl44 1.747(13) .
C43 Cl45 1.761(13) .
C46 Cl47 1.754(13) .
C46 Cl48 1.758(14) .
