#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/51/7105160.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_7105160
loop_
_publ_author_name
'Wikstrom, Jeffrey P'
'Filatov, Alexander S'
'Rybak-Akimova, Elena V'
_publ_section_title
;
 Condensation of nitriles with amides promoted by coordinatively
 unsaturated bis-nickel(II)-hydroxy complex: a new route to alkyl- and
 aryl-imidoylamidines.
;
_journal_issue                   3
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              424
_journal_page_last               426
_journal_paper_doi               10.1039/b919634j
_journal_volume                  46
_journal_year                    2010
_chemical_formula_moiety         'C30 H33 N6 Ni, Cl O4'
_chemical_formula_sum            'C30 H33 Cl N6 Ni O4'
_chemical_formula_weight         635.78
_chemical_name_systematic
;
(2-pyridylmethyl)tert-butylamine nickel (II)
bis(imino(phenyl)methyl)amide perchlorate
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 104.3250(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.3250(9)
_cell_length_b                   17.1390(12)
_cell_length_c                   14.1153(10)
_cell_measurement_reflns_used    9501
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      26.97
_cell_measurement_theta_min      2.29
_cell_volume                     2889.0(4)
_computing_cell_refinement       'SAINT Ver. 6.22 (Bruker-AXS, 2003)'
_computing_data_collection       'SMART Ver. 5.622 (Bruker-AXS, 2003)'
_computing_data_reduction        'SAINT Ver. 6.22'
_computing_molecular_graphics    'SHELXTL Ver. 6.14'
_computing_publication_material  'SHELXTL Ver. 6.14'
_computing_structure_refinement  'SHELXTL Ver. 6.14'
_computing_structure_solution    'SHELXTL Ver. 6.14 (Bruker-AXS, 2003)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker SMART APEX CCD area-detector'
_diffrn_measurement_method       '0.30° ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           Mo-K\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0408
_diffrn_reflns_av_sigmaI/netI    0.0384
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            24185
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         27.03
_diffrn_reflns_theta_min         1.91
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.812
_exptl_absorpt_correction_T_max  0.9683
_exptl_absorpt_correction_T_min  0.8677
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS (Bruker-AXS, 2003)
;
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.462
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1328
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.04
_refine_diff_density_max         0.615
_refine_diff_density_min         -0.356
_refine_diff_density_rms         0.068
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.019
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     388
_refine_ls_number_reflns         6292
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.019
_refine_ls_R_factor_all          0.0619
_refine_ls_R_factor_gt           0.0443
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0543P)²+1.4532P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1020
_refine_ls_wR_factor_ref         0.1128
_reflns_number_gt                4854
_reflns_number_total             6292
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            b919634j.txt
_cod_data_source_block           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_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_Hall     '-P 2yn '
_cod_original_sg_symbol_H-M      'P 1 21/n 1 '
_cod_database_code               7105160
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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
Ni1 Ni 0.64412(2) 0.380865(18) 0.81195(2) 0.02495(10) Uani 1 1 d . . .
N1 N 0.49025(18) 0.38659(12) 0.78096(15) 0.0275(5) Uani 1 1 d . . .
H1N H 0.458(2) 0.3896(16) 0.824(2) 0.033 Uiso 1 1 d . . .
N2 N 0.44858(17) 0.39019(11) 0.60751(14) 0.0267(4) Uani 1 1 d . . .
N3 N 0.64242(18) 0.38646(12) 0.68168(15) 0.0280(5) Uani 1 1 d . . .
H3N H 0.704(2) 0.3850(16) 0.666(2) 0.034 Uiso 1 1 d . . .
N4 N 0.80534(17) 0.38217(11) 0.84483(14) 0.0260(4) Uani 1 1 d . . .
N5 N 0.69065(16) 0.24243(11) 0.87240(14) 0.0260(4) Uani 1 1 d . . .
N6 N 0.65835(16) 0.38925(11) 0.95083(14) 0.0257(4) Uani 1 1 d . . .
C1 C 0.4206(2) 0.39106(13) 0.69389(17) 0.0254(5) Uani 1 1 d . . .
C2 C 0.2976(2) 0.39603(14) 0.68423(17) 0.0270(5) Uani 1 1 d . . .
C3 C 0.2349(2) 0.45214(15) 0.62265(18) 0.0330(6) Uani 1 1 d . . .
H3 H 0.2713 0.4880 0.5894 0.040 Uiso 1 1 calc R . .
C4 C 0.1202(2) 0.45572(18) 0.6098(2) 0.0418(7) Uani 1 1 d . . .
H4 H 0.0783 0.4954 0.5700 0.050 Uiso 1 1 calc R . .
C5 C 0.0660(2) 0.4013(2) 0.6549(2) 0.0481(8) Uani 1 1 d . . .
H5 H -0.0132 0.4028 0.6441 0.058 Uiso 1 1 calc R . .
C6 C 0.1270(2) 0.3454(2) 0.7152(2) 0.0461(7) Uani 1 1 d . . .
H6 H 0.0898 0.3079 0.7454 0.055 Uiso 1 1 calc R . .
C7 C 0.2428(2) 0.34367(17) 0.73184(19) 0.0361(6) Uani 1 1 d . . .
H7 H 0.2849 0.3065 0.7760 0.043 Uiso 1 1 calc R . .
C8 C 0.5562(2) 0.38800(13) 0.60486(17) 0.0252(5) Uani 1 1 d . . .
C9 C 0.5761(2) 0.38571(14) 0.50457(17) 0.0266(5) Uani 1 1 d . . .
C10 C 0.4954(2) 0.41686(14) 0.42632(17) 0.0292(5) Uani 1 1 d . . .
H10 H 0.4314 0.4422 0.4380 0.035 Uiso 1 1 calc R . .
C11 C 0.5080(2) 0.41108(16) 0.33194(19) 0.0357(6) Uani 1 1 d . . .
H11 H 0.4530 0.4328 0.2792 0.043 Uiso 1 1 calc R . .
C12 C 0.6005(3) 0.37376(17) 0.31417(19) 0.0403(7) Uani 1 1 d . . .
H12 H 0.6081 0.3685 0.2491 0.048 Uiso 1 1 calc R . .
C13 C 0.6821(2) 0.34404(17) 0.3915(2) 0.0400(7) Uani 1 1 d . . .
H13 H 0.7464 0.3193 0.3796 0.048 Uiso 1 1 calc R . .
C14 C 0.6701(2) 0.35021(16) 0.48590(19) 0.0324(6) Uani 1 1 d . . .
H14 H 0.7267 0.3300 0.5386 0.039 Uiso 1 1 calc R . .
C15 C 0.8612(2) 0.45046(16) 0.85665(18) 0.0331(6) Uani 1 1 d . . .
H15 H 0.8200 0.4975 0.8405 0.040 Uiso 1 1 calc R . .
C16 C 0.9760(2) 0.45459(17) 0.8914(2) 0.0382(6) Uani 1 1 d . . .
H16 H 1.0134 0.5035 0.8972 0.046 Uiso 1 1 calc R . .
C17 C 1.0354(2) 0.38634(18) 0.9177(2) 0.0408(7) Uani 1 1 d . . .
H17 H 1.1142 0.3875 0.9438 0.049 Uiso 1 1 calc R . .
C18 C 0.9782(2) 0.31637(17) 0.9053(2) 0.0376(6) Uani 1 1 d . . .
H18 H 1.0179 0.2689 0.9228 0.045 Uiso 1 1 calc R . .
C19 C 0.8633(2) 0.31498(15) 0.86732(18) 0.0297(5) Uani 1 1 d . . .
C20 C 0.7993(2) 0.23941(15) 0.8472(2) 0.0371(6) Uani 1 1 d . . .
H20A H 0.7868 0.2265 0.7770 0.045 Uiso 1 1 calc R . .
H20B H 0.8450 0.1972 0.8853 0.045 Uiso 1 1 calc R . .
C21 C 0.6138(2) 0.17664(15) 0.82768(19) 0.0319(6) Uani 1 1 d . . .
C22 C 0.5810(2) 0.18688(17) 0.71630(19) 0.0388(6) Uani 1 1 d . . .
H22A H 0.5428 0.2370 0.6998 0.058 Uiso 1 1 calc R . .
H22B H 0.5308 0.1444 0.6865 0.058 Uiso 1 1 calc R . .
H22C H 0.6485 0.1858 0.6914 0.058 Uiso 1 1 calc R . .
C23 C 0.6696(3) 0.09662(16) 0.8538(2) 0.0407(7) Uani 1 1 d . . .
H23A H 0.7309 0.0906 0.8215 0.061 Uiso 1 1 calc R . .
H23B H 0.6142 0.0553 0.8317 0.061 Uiso 1 1 calc R . .
H23C H 0.6993 0.0930 0.9248 0.061 Uiso 1 1 calc R . .
C24 C 0.5064(2) 0.18129(17) 0.8632(2) 0.0412(7) Uani 1 1 d . . .
H24A H 0.5224 0.1657 0.9321 0.062 Uiso 1 1 calc R . .
H24B H 0.4500 0.1462 0.8240 0.062 Uiso 1 1 calc R . .
H24C H 0.4780 0.2349 0.8563 0.062 Uiso 1 1 calc R . .
C25 C 0.7094(2) 0.25023(15) 0.97879(18) 0.0348(6) Uani 1 1 d . . .
H25A H 0.7822 0.2259 1.0106 0.042 Uiso 1 1 calc R . .
H25B H 0.6502 0.2210 0.9999 0.042 Uiso 1 1 calc R . .
C26 C 0.70953(19) 0.33353(14) 1.01395(17) 0.0258(5) Uani 1 1 d . . .
C27 C 0.7580(2) 0.35160(17) 1.11083(18) 0.0330(6) Uani 1 1 d . . .
H27 H 0.7945 0.3121 1.1543 0.040 Uiso 1 1 calc R . .
C28 C 0.7533(2) 0.42683(17) 1.14432(19) 0.0374(6) Uani 1 1 d . . .
H28 H 0.7886 0.4399 1.2101 0.045 Uiso 1 1 calc R . .
C29 C 0.6964(2) 0.48304(16) 1.0805(2) 0.0376(6) Uani 1 1 d . . .
H29 H 0.6894 0.5349 1.1020 0.045 Uiso 1 1 calc R . .
C30 C 0.6500(2) 0.46172(15) 0.98486(19) 0.0326(6) Uani 1 1 d . . .
H30 H 0.6104 0.5000 0.9410 0.039 Uiso 1 1 calc R . .
Cl1 Cl 0.62840(6) 0.67502(4) 0.93164(5) 0.04331(18) Uani 1 1 d . . .
O1 O 0.7030(2) 0.62823(15) 0.8914(2) 0.0698(7) Uani 1 1 d . . .
O2 O 0.52596(18) 0.63371(15) 0.91793(18) 0.0639(7) Uani 1 1 d . . .
O3 O 0.6126(2) 0.74789(14) 0.8803(2) 0.0823(9) Uani 1 1 d . . .
O4 O 0.6792(3) 0.68590(17) 1.03217(19) 0.0944(11) 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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni 0.3393 1.1124 '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
N3 Ni1 N1 90.20(9) . . yes
N3 Ni1 N4 89.78(9) . . yes
N1 Ni1 N4 176.27(9) . . yes
N3 Ni1 N6 171.49(9) . . yes
N1 Ni1 N6 93.83(9) . . yes
N4 Ni1 N6 85.71(8) . . yes
C1 N1 Ni1 128.40(18) . . ?
C1 N1 H1N 112(2) . . ?
Ni1 N1 H1N 120(2) . . ?
C8 N2 C1 120.3(2) . . ?
C8 N3 Ni1 129.22(18) . . ?
C8 N3 H3N 112.2(19) . . ?
Ni1 N3 H3N 118.4(19) . . ?
C15 N4 C19 119.2(2) . . ?
C15 N4 Ni1 120.33(17) . . ?
C19 N4 Ni1 120.07(17) . . ?
C25 N5 C20 109.2(2) . . ?
C25 N5 C21 114.8(2) . . ?
C20 N5 C21 112.84(19) . . ?
C30 N6 C26 118.8(2) . . ?
C30 N6 Ni1 115.84(17) . . ?
C26 N6 Ni1 121.83(16) . . ?
N1 C1 N2 126.2(2) . . ?
N1 C1 C2 120.2(2) . . ?
N2 C1 C2 113.6(2) . . ?
C7 C2 C3 119.1(2) . . ?
C7 C2 C1 121.5(2) . . ?
C3 C2 C1 119.3(2) . . ?
C4 C3 C2 120.2(3) . . ?
C4 C3 H3 119.9 . . ?
C2 C3 H3 119.9 . . ?
C3 C4 C5 120.2(3) . . ?
C3 C4 H4 119.9 . . ?
C5 C4 H4 119.9 . . ?
C6 C5 C4 119.9(3) . . ?
C6 C5 H5 120.0 . . ?
C4 C5 H5 120.0 . . ?
C5 C6 C7 120.1(3) . . ?
C5 C6 H6 119.9 . . ?
C7 C6 H6 119.9 . . ?
C6 C7 C2 120.3(3) . . ?
C6 C7 H7 119.8 . . ?
C2 C7 H7 119.8 . . ?
N3 C8 N2 125.6(2) . . ?
N3 C8 C9 119.4(2) . . ?
N2 C8 C9 115.1(2) . . ?
C14 C9 C10 118.8(2) . . ?
C14 C9 C8 122.0(2) . . ?
C10 C9 C8 119.1(2) . . ?
C11 C10 C9 120.4(2) . . ?
C11 C10 H10 119.8 . . ?
C9 C10 H10 119.8 . . ?
C10 C11 C12 120.2(3) . . ?
C10 C11 H11 119.9 . . ?
C12 C11 H11 119.9 . . ?
C11 C12 C13 119.8(2) . . ?
C11 C12 H12 120.1 . . ?
C13 C12 H12 120.1 . . ?
C14 C13 C12 120.2(3) . . ?
C14 C13 H13 119.9 . . ?
C12 C13 H13 119.9 . . ?
C13 C14 C9 120.6(3) . . ?
C13 C14 H14 119.7 . . ?
C9 C14 H14 119.7 . . ?
N4 C15 C16 122.4(2) . . ?
N4 C15 H15 118.8 . . ?
C16 C15 H15 118.8 . . ?
C15 C16 C17 118.8(3) . . ?
C15 C16 H16 120.6 . . ?
C17 C16 H16 120.6 . . ?
C18 C17 C16 118.8(3) . . ?
C18 C17 H17 120.6 . . ?
C16 C17 H17 120.6 . . ?
C17 C18 C19 120.4(3) . . ?
C17 C18 H18 119.8 . . ?
C19 C18 H18 119.8 . . ?
N4 C19 C18 120.5(2) . . ?
N4 C19 C20 117.8(2) . . ?
C18 C19 C20 121.7(2) . . ?
N5 C20 C19 113.0(2) . . ?
N5 C20 H20A 109.0 . . ?
C19 C20 H20A 109.0 . . ?
N5 C20 H20B 109.0 . . ?
C19 C20 H20B 109.0 . . ?
H20A C20 H20B 107.8 . . ?
N5 C21 C24 109.2(2) . . ?
N5 C21 C22 108.8(2) . . ?
C24 C21 C22 107.5(2) . . ?
N5 C21 C23 111.7(2) . . ?
C24 C21 C23 109.9(2) . . ?
C22 C21 C23 109.7(2) . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C21 C23 H23A 109.5 . . ?
C21 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C21 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C21 C24 H24A 109.5 . . ?
C21 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C21 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
N5 C25 C26 114.1(2) . . ?
N5 C25 H25A 108.7 . . ?
C26 C25 H25A 108.7 . . ?
N5 C25 H25B 108.7 . . ?
C26 C25 H25B 108.7 . . ?
H25A C25 H25B 107.6 . . ?
N6 C26 C27 120.7(2) . . ?
N6 C26 C25 119.3(2) . . ?
C27 C26 C25 120.0(2) . . ?
C28 C27 C26 120.2(2) . . ?
C28 C27 H27 119.9 . . ?
C26 C27 H27 119.9 . . ?
C27 C28 C29 119.0(2) . . ?
C27 C28 H28 120.5 . . ?
C29 C28 H28 120.5 . . ?
C30 C29 C28 118.2(2) . . ?
C30 C29 H29 120.9 . . ?
C28 C29 H29 120.9 . . ?
N6 C30 C29 123.0(2) . . ?
N6 C30 H30 118.5 . . ?
C29 C30 H30 118.5 . . ?
O4 Cl1 O2 111.15(19) . . ?
O4 Cl1 O3 111.32(17) . . ?
O2 Cl1 O3 111.16(15) . . ?
O4 Cl1 O1 107.57(18) . . ?
O2 Cl1 O1 107.60(16) . . ?
O3 Cl1 O1 107.85(18) . . ?
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
Ni1 N3 1.836(2) . yes
Ni1 N1 1.840(2) . yes
Ni1 N4 1.926(2) . yes
Ni1 N6 1.930(2) . yes
N1 C1 1.316(3) . ?
N1 H1N 0.80(3) . ?
N2 C8 1.337(3) . ?
N2 C1 1.347(3) . ?
N3 C8 1.317(3) . ?
N3 H3N 0.84(3) . ?
N4 C15 1.347(3) . ?
N4 C19 1.351(3) . ?
N5 C25 1.468(3) . ?
N5 C20 1.469(3) . ?
N5 C21 1.507(3) . ?
N6 C30 1.345(3) . ?
N6 C26 1.351(3) . ?
C1 C2 1.490(3) . ?
C2 C7 1.392(4) . ?
C2 C3 1.394(3) . ?
C3 C4 1.381(4) . ?
C3 H3 0.9500 . ?
C4 C5 1.391(4) . ?
C4 H4 0.9500 . ?
C5 C6 1.375(5) . ?
C5 H5 0.9500 . ?
C6 C7 1.389(4) . ?
C6 H6 0.9500 . ?
C7 H7 0.9500 . ?
C8 C9 1.496(3) . ?
C9 C14 1.390(4) . ?
C9 C10 1.397(3) . ?
C10 C11 1.383(3) . ?
C10 H10 0.9500 . ?
C11 C12 1.383(4) . ?
C11 H11 0.9500 . ?
C12 C13 1.385(4) . ?
C12 H12 0.9500 . ?
C13 C14 1.380(4) . ?
C13 H13 0.9500 . ?
C14 H14 0.9500 . ?
C15 C16 1.380(4) . ?
C15 H15 0.9500 . ?
C16 C17 1.382(4) . ?
C16 H16 0.9500 . ?
C17 C18 1.380(4) . ?
C17 H17 0.9500 . ?
C18 C19 1.385(3) . ?
C18 H18 0.9500 . ?
C19 C20 1.507(4) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C21 C24 1.530(4) . ?
C21 C22 1.534(4) . ?
C21 C23 1.537(4) . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 C26 1.511(3) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 C27 1.385(3) . ?
C27 C28 1.379(4) . ?
C27 H27 0.9500 . ?
C28 C29 1.386(4) . ?
C28 H28 0.9500 . ?
C29 C30 1.378(4) . ?
C29 H29 0.9500 . ?
C30 H30 0.9500 . ?
Cl1 O4 1.414(2) . ?
Cl1 O2 1.418(2) . ?
Cl1 O3 1.433(2) . ?
Cl1 O1 1.439(3) . ?
