#------------------------------------------------------------------------------
#$Date: 2019-11-10 07:54:14 +0200 (Sun, 10 Nov 2019) $
#$Revision: 225918 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/51/58/4515809.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_4515809
loop_
_publ_author_name
'Messinis, Antonis M.'
'Batsanov, Andrei S.'
'Wright, William R. H.'
'Howard, Judith A. K.'
'Hanton, Martin J.'
'Dyer, Philip W.'
_publ_section_title
;
 Bis(Imido) Tungsten Complexes: Efficient Precatalysts for the Homogeneous
 Dimerization of Ethylene
;
_journal_issue                   12
_journal_name_full               'ACS Catalysis'
_journal_page_first              11249
_journal_paper_doi               10.1021/acscatal.8b02202
_journal_volume                  8
_journal_year                    2018
_chemical_formula_moiety
'C25 H38 Cl2 N2 O2 W, 0.375(C6 H14), 0.25(C H2 Cl2)'
_chemical_formula_sum            'C27.5 H43.75 Cl2.5 N2 O2 W'
_chemical_formula_weight         706.87
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     heavy
_atom_sites_solution_secondary   difmap
_audit_creation_date             2017-11-08
_audit_creation_method
;
Olex2 1.2-beta
(compiled 2017.08.10 svn.r3458 for OlexSys, GUI svn.r5381)
;
_cell_angle_alpha                112.357(9)
_cell_angle_beta                 90.965(9)
_cell_angle_gamma                99.035(9)
_cell_formula_units_Z            2
_cell_length_a                   9.0974(5)
_cell_length_b                   12.8175(8)
_cell_length_c                   14.1008(10)
_cell_measurement_reflns_used    9958
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      30.00
_cell_measurement_theta_min      2.27
_cell_volume                     1496.5(2)
_computing_cell_refinement       'SAINT v7.46A (Bruker, 2008)'
_computing_data_collection       'SMART v5.625 (Bruker, 2001)'
_computing_data_reduction        'SAINT v7.46A (Bruker, 2008)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL 2016/6 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXS (Sheldrick, 2008)'
_diffrn_ambient_temperature      120(2)
_diffrn_detector_area_resol_mean 5.6
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker SMART 6000 CCD area detector'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0344
_diffrn_reflns_av_unetI/netI     0.0363
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            27439
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.002
_diffrn_reflns_theta_min         1.567
_diffrn_source                   'fine-focus sealed tube'
_diffrn_source_current           35.0
_diffrn_source_power             1.75
_diffrn_source_target            Mo
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    4.109
_exptl_absorpt_correction_T_max  0.8468
_exptl_absorpt_correction_T_min  0.4978
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details
;
 SADABS-2008/1 (Bruker,2008) was used for absorption correction. wR2(int) 
 was 0.0554 before and 0.0458 after correction. The Ratio of minimum to maximum 
 transmission is 0.5879. The λ/2 correction factor is 0.0015.
;
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.569
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       tablet
_exptl_crystal_F_000             710
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.05
_refine_diff_density_max         2.693
_refine_diff_density_min         -1.111
_refine_diff_density_rms         0.112
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     351
_refine_ls_number_reflns         8717
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.046
_refine_ls_R_factor_all          0.0300
_refine_ls_R_factor_gt           0.0248
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0299P)²+0.2143P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0576
_refine_ls_wR_factor_ref         0.0595
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7801
_reflns_number_total             8717
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            W-bisimido.cif
_cod_data_source_block           13_11srv151
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_diffrn_source_target' value 'MO' was changed to 'Mo' in
accordance with the
/home/data/users/saulius/crontab/automatic-downloads/current/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_cell_volume        1496.49(19)
_cod_original_formula_sum        'C27.50 H43.75 Cl2.50 N2 O2 W'
_cod_database_code               4515809
_shelx_shelxl_version_number     2016/6
_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.
;
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Others
 Uiso(H13A)=Uiso(H13B)=Uiso(H13C)=FVAR(1)
 Uiso(H24A)=Uiso(H24B)=Uiso(H24C)=FVAR(2)
 Uiso(H1A)=Uiso(H1B)=Uiso(H1C)=FVAR(3)
 Uiso(H25A)=Uiso(H25B)=Uiso(H25C)=FVAR(4)
 Uiso(H4A)=Uiso(H4B)=Uiso(H4C)=FVAR(5)
 Uiso(H11A)=Uiso(H11B)=Uiso(H11C)=FVAR(6)
 Uiso(H12A)=Uiso(H12B)=Uiso(H12C)=FVAR(7)
 Uiso(H22A)=Uiso(H22B)=Uiso(H22C)=FVAR(8)
 Uiso(H21A)=Uiso(H21B)=Uiso(H21C)=FVAR(9)
 Fixed Sof: C27(0.75) H27A(0.75) H27B(0.75) H27C(0.75) C28(0.75) H28A(0.75)
 H28B(0.75) C29(0.75) H29A(0.75) H29B(0.75) Cl3(0.25) Cl4(0.25) C26(0.25)
 H26A(0.25) H26B(0.25)
3.a Riding coordinates:
 C2(H2A,H2B), C3(H3A,H3B), C7(H7), C9(H9), C16(H16), C17(H17), C18(H18),
 C20(H20), C23(H23), C27(H27A,H27B,H27C)
3.b Rotating group:
 C1(H1A,H1B,H1C), C4(H4A,H4B,H4C), C11(H11A,H11B,H11C), C12(H12A,H12B,H12C),
 C13(H13A,H13B,H13C), C21(H21A,H21B,H21C), C22(H22A,H22B,H22C), C24(H24A,H24B,
 H24C), C25(H25A,H25B,H25C)
3.c Secondary CH2 refined with riding coordinates:
 C28(H28A,H28B), C29(H29A,H29B), C26(H26A,H26B)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
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_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
W1 W 0.17292(2) 0.28482(2) 0.30436(2) 0.01605(3) Uani 1 1 d . . . .
Cl1 Cl 0.25186(7) 0.36660(5) 0.48480(5) 0.02148(12) Uani 1 1 d . . . .
Cl2 Cl 0.07430(7) 0.27609(5) 0.14278(5) 0.02091(12) Uani 1 1 d . . . .
O1 O -0.01456(19) 0.39627(15) 0.35714(14) 0.0201(4) Uani 1 1 d . . . .
O2 O 0.2663(2) 0.47443(15) 0.32832(14) 0.0210(4) Uani 1 1 d . . . .
N1 N 0.0566(2) 0.16317(18) 0.30628(16) 0.0180(4) Uani 1 1 d . . . .
N2 N 0.3403(2) 0.24055(18) 0.25742(16) 0.0180(4) Uani 1 1 d . . . .
C1 C -0.1683(3) 0.3389(2) 0.3240(2) 0.0245(5) Uani 1 1 d . . . .
H1A H -0.187817 0.320211 0.250290 0.034(5) Uiso 1 1 d GR . . .
H1B H -0.235678 0.389583 0.362599 0.034(5) Uiso 1 1 d GR . . .
H1C H -0.185388 0.268213 0.336922 0.034(5) Uiso 1 1 d GR . . .
C2 C 0.0139(3) 0.5014(2) 0.3403(2) 0.0243(5) Uani 1 1 d . . . .
H2A H -0.054723 0.552962 0.377705 0.029 Uiso 1 1 d R . . .
H2B H -0.001663 0.485282 0.266035 0.029 Uiso 1 1 d R . . .
C3 C 0.1730(3) 0.5564(2) 0.3796(2) 0.0243(5) Uani 1 1 d . . . .
H3A H 0.200071 0.626164 0.364709 0.029 Uiso 1 1 d R . . .
H3B H 0.186351 0.578404 0.454899 0.029 Uiso 1 1 d R . . .
C4 C 0.4216(3) 0.5215(2) 0.3655(2) 0.0268(6) Uani 1 1 d . . . .
H4A H 0.432371 0.546106 0.440521 0.027(5) Uiso 1 1 d GR . . .
H4B H 0.454580 0.587471 0.347164 0.027(5) Uiso 1 1 d GR . . .
H4C H 0.482881 0.462780 0.334129 0.027(5) Uiso 1 1 d GR . . .
C5 C -0.0119(3) 0.0564(2) 0.30040(19) 0.0180(5) Uani 1 1 d . . . .
C6 C -0.0122(3) -0.0415(2) 0.2096(2) 0.0198(5) Uani 1 1 d . . . .
C7 C -0.0898(3) -0.1464(2) 0.2047(2) 0.0241(5) Uani 1 1 d . . . .
H7 H -0.092066 -0.212609 0.143473 0.029 Uiso 1 1 d R . . .
C8 C -0.1642(3) -0.1572(2) 0.2872(2) 0.0272(6) Uani 1 1 d . . . .
C9 C -0.1585(3) -0.0594(2) 0.3773(2) 0.0238(5) Uani 1 1 d . . . .
H9 H -0.207005 -0.066136 0.434361 0.029 Uiso 1 1 d R . . .
C10 C -0.0841(3) 0.0473(2) 0.3857(2) 0.0204(5) Uani 1 1 d . . . .
C11 C 0.0697(3) -0.0329(2) 0.1203(2) 0.0257(6) Uani 1 1 d . . . .
H11A H 0.036537 0.025840 0.100804 0.033(5) Uiso 1 1 d GR . . .
H11B H 0.048515 -0.107030 0.061823 0.033(5) Uiso 1 1 d GR . . .
H11C H 0.177326 -0.012021 0.140193 0.033(5) Uiso 1 1 d GR . . .
C12 C -0.2500(4) -0.2716(3) 0.2794(3) 0.0400(8) Uani 1 1 d . . . .
H12A H -0.276337 -0.266475 0.348053 0.095(11) Uiso 1 1 d GR . . .
H12B H -0.188365 -0.330925 0.251634 0.095(11) Uiso 1 1 d GR . . .
H12C H -0.341495 -0.291666 0.233832 0.095(11) Uiso 1 1 d GR . . .
C13 C -0.0781(3) 0.1518(2) 0.4834(2) 0.0250(5) Uani 1 1 d . . . .
H13A H 0.026373 0.185241 0.509121 0.046(6) Uiso 1 1 d GR . . .
H13B H -0.129957 0.129981 0.535271 0.046(6) Uiso 1 1 d GR . . .
H13C H -0.126598 0.208241 0.469641 0.046(6) Uiso 1 1 d GR . . .
C14 C 0.4513(3) 0.1821(2) 0.20903(18) 0.0169(5) Uani 1 1 d . . . .
C15 C 0.4908(3) 0.0940(2) 0.2369(2) 0.0196(5) Uani 1 1 d . . . .
C16 C 0.6049(3) 0.0386(2) 0.1876(2) 0.0237(5) Uani 1 1 d . . . .
H16 H 0.636380 -0.018168 0.207217 0.028 Uiso 1 1 d R . . .
C17 C 0.6736(3) 0.0657(2) 0.1100(2) 0.0254(6) Uani 1 1 d . . . .
H17 H 0.750141 0.026418 0.076357 0.031 Uiso 1 1 d R . . .
C18 C 0.6304(3) 0.1494(2) 0.0819(2) 0.0242(5) Uani 1 1 d . . . .
H18 H 0.675611 0.165011 0.027399 0.029 Uiso 1 1 d R . . .
C19 C 0.5220(3) 0.2112(2) 0.13176(19) 0.0193(5) Uani 1 1 d . . . .
C20 C 0.4160(3) 0.0655(2) 0.3217(2) 0.0244(5) Uani 1 1 d . . . .
H20 H 0.314055 0.085958 0.324214 0.029 Uiso 1 1 d R . . .
C21 C 0.5028(4) 0.1395(3) 0.4259(2) 0.0380(7) Uani 1 1 d . . . .
H21A H 0.601973 0.118967 0.426763 0.047(6) Uiso 1 1 d GR . . .
H21B H 0.448613 0.126390 0.480942 0.047(6) Uiso 1 1 d GR . . .
H21C H 0.513466 0.220568 0.436551 0.047(6) Uiso 1 1 d GR . . .
C22 C 0.3963(4) -0.0617(3) 0.3026(3) 0.0407(8) Uani 1 1 d . . . .
H22A H 0.344332 -0.107895 0.234456 0.056(7) Uiso 1 1 d GR . . .
H22B H 0.337658 -0.076056 0.355426 0.056(7) Uiso 1 1 d GR . . .
H22C H 0.494730 -0.082605 0.306038 0.056(7) Uiso 1 1 d GR . . .
C23 C 0.4815(3) 0.3059(2) 0.1022(2) 0.0215(5) Uani 1 1 d . . . .
H23 H 0.406134 0.341621 0.149022 0.026 Uiso 1 1 d R . . .
C24 C 0.6179(3) 0.3997(2) 0.1179(2) 0.0300(6) Uani 1 1 d . . . .
H24A H 0.656678 0.432995 0.190342 0.039(6) Uiso 1 1 d GR . . .
H24B H 0.588478 0.459746 0.098392 0.039(6) Uiso 1 1 d GR . . .
H24C H 0.695508 0.366495 0.074871 0.039(6) Uiso 1 1 d GR . . .
C25 C 0.4101(3) 0.2594(3) -0.0080(2) 0.0299(6) Uani 1 1 d . . . .
H25A H 0.482003 0.224543 -0.055841 0.037(5) Uiso 1 1 d GR . . .
H25B H 0.381102 0.322272 -0.022981 0.037(5) Uiso 1 1 d GR . . .
H25C H 0.321483 0.201482 -0.015671 0.037(5) Uiso 1 1 d GR . . .
C27 C 0.2997(6) 0.5972(5) 0.1483(5) 0.0467(14) Uiso 0.75 1 d . P A 2
H27A H 0.369082 0.588954 0.094583 0.070 Uiso 0.75 1 d R P A 2
H27B H 0.289422 0.529964 0.166503 0.070 Uiso 0.75 1 d R P A 2
H27C H 0.338222 0.666334 0.209283 0.070 Uiso 0.75 1 d R P A 2
C28 C 0.1506(6) 0.6068(4) 0.1096(4) 0.0432(11) Uani 0.75 1 d . P A 2
H28A H 0.163488 0.670516 0.085450 0.052 Uiso 0.75 1 calc R P A 2
H28B H 0.085644 0.626005 0.167200 0.052 Uiso 0.75 1 calc R P A 2
C29 C 0.0718(5) 0.4956(4) 0.0205(4) 0.0414(11) Uani 0.75 1 d . P A 2
H29A H 0.138482 0.475168 -0.036087 0.050 Uiso 0.75 1 calc R P A 2
H29B H 0.056535 0.432546 0.045407 0.050 Uiso 0.75 1 calc R P A 2
Cl3 Cl 0.3733(5) 0.6098(4) 0.1579(3) 0.0529(10) Uani 0.25 1 d . P B 1
Cl4 Cl 0.0586(6) 0.6162(5) 0.1351(4) 0.0679(13) Uani 0.25 1 d . P B 1
C26 C 0.1959(15) 0.5295(11) 0.0952(10) 0.035(3) Uiso 0.25 1 d . P B 1
H26A H 0.199523 0.503059 0.019667 0.042 Uiso 0.25 1 calc R P B 1
H26B H 0.170766 0.461269 0.112589 0.042 Uiso 0.25 1 calc R P B 1
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'
Cl Cl 0.1484 0.1585 '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'
W W -0.8490 6.8722 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
0.00 -1.00 1.00 0.025
0.00 1.00 -1.00 0.025
-1.00 0.00 0.00 0.090
1.00 0.00 0.00 0.090
0.00 -1.00 3.00 0.040
0.00 -1.00 -3.00 0.055
1.00 -1.00 0.00 0.070
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
Cl2 W1 Cl1 157.88(2) .
O1 W1 Cl1 83.16(5) .
O1 W1 Cl2 79.09(5) .
O2 W1 Cl1 78.94(5) .
O2 W1 Cl2 82.68(5) .
O2 W1 O1 70.14(6) .
N1 W1 Cl1 95.90(7) .
N1 W1 Cl2 97.77(7) .
N1 W1 O1 91.97(8) .
N1 W1 O2 161.77(8) .
N1 W1 N2 106.31(10) .
N2 W1 Cl1 98.39(7) .
N2 W1 Cl2 94.35(7) .
N2 W1 O1 161.32(8) .
N2 W1 O2 91.79(8) .
C1 O1 W1 117.44(15) .
C2 O1 W1 113.49(14) .
C2 O1 C1 110.9(2) .
C3 O2 W1 115.57(15) .
C3 O2 C4 110.3(2) .
C4 O2 W1 119.10(15) .
C5 N1 W1 168.70(18) .
C14 N2 W1 167.08(18) .
O1 C2 C3 107.2(2) .
O2 C3 C2 107.8(2) .
N1 C5 C6 120.3(2) .
N1 C5 C10 119.1(2) .
C6 C5 C10 120.7(2) .
C5 C6 C11 120.8(2) .
C7 C6 C5 118.4(2) .
C7 C6 C11 120.8(2) .
C6 C7 C8 121.9(3) .
C7 C8 C9 118.5(2) .
C7 C8 C12 121.0(3) .
C9 C8 C12 120.5(3) .
C10 C9 C8 121.8(3) .
C5 C10 C13 120.1(2) .
C9 C10 C5 118.6(2) .
C9 C10 C13 121.3(2) .
N2 C14 C15 119.8(2) .
N2 C14 C19 118.8(2) .
C19 C14 C15 121.4(2) .
C14 C15 C20 120.7(2) .
C16 C15 C14 118.1(2) .
C16 C15 C20 121.2(2) .
C15 C16 C17 120.8(2) .
C18 C17 C16 120.2(2) .
C17 C18 C19 121.5(3) .
C14 C19 C23 121.7(2) .
C18 C19 C14 118.0(2) .
C18 C19 C23 120.2(2) .
C15 C20 C21 109.9(2) .
C15 C20 C22 113.2(2) .
C22 C20 C21 111.0(3) .
C19 C23 C24 111.2(2) .
C19 C23 C25 111.8(2) .
C25 C23 C24 110.8(2) .
C27 C28 C29 113.5(4) .
C29 C29 C28 114.3(5) 2_565
Cl4 C26 Cl3 109.5(8) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
W1 Cl1 2.4003(7) .
W1 Cl2 2.3905(6) .
W1 O1 2.3459(18) .
W1 O2 2.3366(18) .
W1 N1 1.751(2) .
W1 N2 1.760(2) .
O1 C1 1.452(3) .
O1 C2 1.441(3) .
O2 C3 1.438(3) .
O2 C4 1.450(3) .
N1 C5 1.383(3) .
N2 C14 1.385(3) .
C2 C3 1.501(4) .
C5 C6 1.411(3) .
C5 C10 1.414(4) .
C6 C7 1.393(4) .
C6 C11 1.505(4) .
C7 C8 1.396(4) .
C8 C9 1.398(4) .
C8 C12 1.513(4) .
C9 C10 1.388(4) .
C10 C13 1.505(4) .
C14 C15 1.421(4) .
C14 C19 1.413(3) .
C15 C16 1.394(4) .
C15 C20 1.518(4) .
C16 C17 1.398(4) .
C17 C18 1.383(4) .
C18 C19 1.392(4) .
C19 C23 1.518(4) .
C20 C21 1.532(4) .
C20 C22 1.529(4) .
C23 C24 1.535(4) .
C23 C25 1.526(4) .
C27 C28 1.493(7) .
C28 C29 1.552(7) .
C29 C29 1.456(9) 2_565
Cl3 C26 1.785(14) .
Cl4 C26 1.759(14) .
