#------------------------------------------------------------------------------
#$Date: 2016-03-23 22:20:38 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179477 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/74/4337484.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_4337484
loop_
_publ_author_name
'Bose, Moumita'
'Moula, Golam'
'Sarkar, Sabyasachi'
_publ_section_title
;
 A cyanide-bridged molybdenum bis(maleonitriledithiolate) square.
;
_journal_issue                   1
_journal_name_full               'Inorganic chemistry'
_journal_page_first              6
_journal_page_last               8
_journal_paper_doi               10.1021/ic402160h
_journal_volume                  53
_journal_year                    2014
_chemical_formula_moiety         'C36 Mo4 N20 S16, 4(C8 H20 N), 2(C H2 Cl2)'
_chemical_formula_sum            'C70 H84 Cl4 Mo4 N24 S16'
_chemical_formula_weight         2300.29
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 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                 126.292(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   22.083(6)
_cell_length_b                   17.756(5)
_cell_length_c                   15.261(5)
_cell_measurement_temperature    100(2)
_cell_volume                     4823(2)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SMART'
_computing_molecular_graphics    ORTEP-3
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'Omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0712
_diffrn_reflns_av_sigmaI/netI    0.0845
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            15881
_diffrn_reflns_theta_full        28.37
_diffrn_reflns_theta_max         28.37
_diffrn_reflns_theta_min         2.29
_exptl_absorpt_coefficient_mu    1.018
_exptl_absorpt_correction_T_max  0.941
_exptl_absorpt_correction_T_min  0.922
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2002)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.530
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             2226
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.06
_refine_diff_density_max         2.109
_refine_diff_density_min         -1.074
_refine_diff_density_rms         0.193
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.073
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     306
_refine_ls_number_reflns         6121
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.073
_refine_ls_R_factor_all          0.1144
_refine_ls_R_factor_gt           0.0697
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1099P)²+28.9548P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1727
_refine_ls_wR_factor_ref         0.2271
_reflns_number_gt                4048
_reflns_number_total             6121
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic402160h_si_002.cif
_cod_data_source_block           3febb
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/automatic-downloads/current/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_sg_symbol_H-M      C2/m
_cod_database_code               4337484
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x, -y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, 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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Mo1 Mo 0.14765(3) 0.34895(3) 0.08890(4) 0.02920(19) Uani 1 1 d .
Cl1 Cl 0.41809(11) 0.14125(13) 0.41968(16) 0.0524(5) Uani 1 1 d .
S1 S 0.10276(9) 0.26141(10) -0.05214(13) 0.0340(4) Uani 1 1 d .
S2 S 0.21874(9) 0.39050(10) 0.02947(13) 0.0344(4) Uani 1 1 d .
S3 S 0.25656(10) 0.37321(13) 0.26219(14) 0.0446(5) Uani 1 1 d .
S4 S 0.13749(11) 0.24697(11) 0.17720(14) 0.0417(5) Uani 1 1 d .
N1 N 0.0973(4) 0.1976(4) -0.2851(5) 0.0510(17) Uani 1 1 d .
N2 N 0.2554(4) 0.3811(4) -0.1747(6) 0.0519(17) Uani 1 1 d .
N3 N 0.2393(6) 0.1339(7) 0.4329(8) 0.097(4) Uani 1 1 d .
N4 N 0.3940(5) 0.3013(8) 0.5425(6) 0.106(4) Uani 1 1 d .
N6 N 0.0000 0.0000 0.5000 0.042(3) Uani 1 4 d S
N7 N 0.4448(5) 0.0000 0.6907(6) 0.0376(19) Uani 1 2 d S
N8 N 0.5000 0.5000 0.0000 0.061(4) Uani 1 4 d S
N9A N 0.1361(3) 0.4676(3) 0.0946(4) 0.0269(16) Uani 0.482(8) 1 d P
N9B N 0.0308(3) 0.3562(3) 0.0180(4) 0.0296(15) Uani 0.518(8) 1 d P
C1 C 0.1443(4) 0.2797(4) -0.1163(5) 0.0344(15) Uani 1 1 d .
C2 C 0.1195(4) 0.2344(4) -0.2095(6) 0.0411(17) Uani 1 1 d .
C3 C 0.1955(4) 0.3365(4) -0.0816(5) 0.0343(15) Uani 1 1 d .
C4 C 0.2293(4) 0.3584(4) -0.1341(6) 0.0363(16) Uani 1 1 d .
C5 C 0.2709(5) 0.3000(6) 0.3472(6) 0.054(2) Uani 1 1 d .
C6 C 0.3390(5) 0.3001(7) 0.4557(7) 0.072(3) Uani 1 1 d .
C7 C 0.2183(5) 0.2448(6) 0.3098(6) 0.052(2) Uani 1 1 d .
C8 C 0.2296(6) 0.1836(7) 0.3774(7) 0.069(3) Uani 1 1 d .
C9 C -0.0507(8) -0.0605(9) 0.5086(11) 0.037(3) Uani 0.50 1 d P
H9A H -0.0206 -0.0925 0.5721 0.044 Uiso 0.50 1 calc PR
H9B H -0.0801 -0.0915 0.4439 0.044 Uiso 0.50 1 calc PR
C10 C -0.1063(8) 0.0000 0.5203(12) 0.112(8) Uani 1 2 d S
H10A H -0.1409 -0.0285 0.5259 0.168 Uiso 0.50 1 calc PR
H10B H -0.1339 0.0319 0.4573 0.168 Uiso 0.50 1 calc PR
H10C H -0.0753 0.0305 0.5842 0.168 Uiso 0.50 1 calc PR
C11 C 0.0460(8) 0.0412(8) 0.5989(10) 0.038(3) Uani 0.50 1 d P
H11A H 0.0136 0.0760 0.6023 0.046 Uiso 0.50 1 calc PR
H11B H 0.0803 0.0713 0.5935 0.046 Uiso 0.50 1 calc PR
C12 C 0.0926(6) 0.0000 0.7069(8) 0.042(2) Uani 1 2 d S
H12A H 0.1204 0.0359 0.7648 0.063 Uiso 0.50 1 calc PR
H12B H 0.1269 -0.0336 0.7075 0.063 Uiso 0.50 1 calc PR
H12C H 0.0600 -0.0283 0.7168 0.063 Uiso 0.50 1 calc PR
C13 C 0.3660(6) 0.0000 0.5865(8) 0.041(2) Uani 1 2 d S
H13A H 0.3598 -0.0441 0.5444 0.049 Uiso 0.50 1 calc PR
H13B H 0.3598 0.0441 0.5444 0.049 Uiso 0.50 1 calc PR
C14 C 0.3033(6) 0.0000 0.6028(9) 0.048(3) Uani 1 2 d S
H14A H 0.2551 0.0000 0.5333 0.072 Uiso 1 2 calc SR
H14B H 0.3079 0.0441 0.6427 0.072 Uiso 0.50 1 calc PR
H14C H 0.3079 -0.0441 0.6427 0.072 Uiso 0.50 1 calc PR
C15 C 0.4970(5) 0.0000 0.6577(8) 0.037(2) Uani 1 2 d S
H15A H 0.4867 0.0441 0.6134 0.044 Uiso 0.50 1 calc PR
H15B H 0.4867 -0.0441 0.6134 0.044 Uiso 0.50 1 calc PR
C16 C 0.5803(6) 0.0000 0.7542(9) 0.049(3) Uani 1 2 d S
H16A H 0.6105 0.0000 0.7278 0.074 Uiso 1 2 calc SR
H16B H 0.5914 -0.0441 0.7976 0.074 Uiso 0.50 1 calc PR
H16C H 0.5914 0.0441 0.7976 0.074 Uiso 0.50 1 calc PR
C17 C 0.4575(5) -0.0690(5) 0.7586(6) 0.0477(19) Uani 1 1 d .
H17A H 0.5087 -0.0678 0.8242 0.057 Uiso 1 1 calc R
H17B H 0.4243 -0.0661 0.7804 0.057 Uiso 1 1 calc R
C18 C 0.4449(5) -0.1422(5) 0.7026(8) 0.056(2) Uani 1 1 d .
H18A H 0.4541 -0.1828 0.7507 0.084 Uiso 1 1 calc R
H18B H 0.4784 -0.1464 0.6824 0.084 Uiso 1 1 calc R
H18C H 0.3939 -0.1447 0.6386 0.084 Uiso 1 1 calc R
C19 C 0.4556(12) 0.4405(12) 0.0215(15) 0.065(5) Uani 0.50 1 d P
H19A H 0.4251 0.4087 -0.0421 0.078 Uiso 0.50 1 calc PR
H19B H 0.4916 0.4085 0.0822 0.078 Uiso 0.50 1 calc PR
C20 C 0.4058(11) 0.4775(10) 0.0459(16) 0.066(5) Uani 0.50 1 d P
H20A H 0.3809 0.4395 0.0586 0.099 Uiso 0.50 1 calc PR
H20B H 0.3690 0.5081 -0.0148 0.099 Uiso 0.50 1 calc PR
H20C H 0.4357 0.5085 0.1094 0.099 Uiso 0.50 1 calc PR
C21 C 0.5524(14) 0.5398(13) 0.095(2) 0.089(8) Uani 0.50 1 d P
H21A H 0.5239 0.5721 0.1099 0.107 Uiso 0.50 1 calc PR
H21B H 0.5792 0.5728 0.0783 0.107 Uiso 0.50 1 calc PR
C22 C 0.6122(11) 0.5000 0.2030(15) 0.115(8) Uani 1 2 d S
H22A H 0.6424 0.5370 0.2582 0.173 Uiso 0.50 1 calc PR
H22B H 0.6436 0.4695 0.1931 0.173 Uiso 0.50 1 calc PR
H22C H 0.5878 0.4687 0.2248 0.173 Uiso 0.50 1 calc PR
C23 C 0.5000 0.1979(7) 0.5000 0.054(3) Uani 1 2 d S
H23A H 0.4953 0.2300 0.5471 0.065 Uiso 0.50 1 calc PR
H23B H 0.5047 0.2300 0.4529 0.065 Uiso 0.50 1 calc PR
C24B C 0.0308(3) 0.3562(3) 0.0180(4) 0.0296(15) Uani 0.518(8) 1 d P
C24A C 0.1361(3) 0.4676(3) 0.0946(4) 0.0269(16) Uani 0.482(8) 1 d P
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Mo Mo -1.6832 0.6857 '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'
S S 0.1246 0.1234 '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'
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'
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
N9A Mo1 N9B 79.8(2) . .
N9A Mo1 S3 80.73(15) . .
N9B Mo1 S3 133.70(16) . .
N9A Mo1 S4 133.27(16) . .
N9B Mo1 S4 80.78(15) . .
S3 Mo1 S4 82.89(8) . .
N9A Mo1 S1 134.18(15) . .
N9B Mo1 S1 81.23(15) . .
S3 Mo1 S1 139.03(7) . .
S4 Mo1 S1 83.31(7) . .
N9A Mo1 S2 80.14(16) . .
N9B Mo1 S2 132.08(15) . .
S3 Mo1 S2 84.46(7) . .
S4 Mo1 S2 141.01(7) . .
S1 Mo1 S2 82.52(6) . .
C1 S1 Mo1 108.6(2) . .
C3 S2 Mo1 108.9(3) . .
C5 S3 Mo1 108.7(3) . .
C7 S4 Mo1 107.8(3) . .
C11 N6 C11 180.000(3) 5_556 .
C11 N6 C11 118.3(12) 5_556 6
C11 N6 C11 61.7(12) . 6
C11 N6 C11 61.7(11) 5_556 2_556
C11 N6 C11 118.3(12) . 2_556
C11 N6 C11 180.0(9) 6 2_556
C11 N6 C9 69.5(8) 5_556 .
C11 N6 C9 110.5(8) . .
C11 N6 C9 70.5(8) 6 .
C11 N6 C9 109.5(8) 2_556 .
C11 N6 C9 110.5(8) 5_556 5_556
C11 N6 C9 69.5(8) . 5_556
C11 N6 C9 109.5(8) 6 5_556
C11 N6 C9 70.5(8) 2_556 5_556
C9 N6 C9 180.0(12) . 5_556
C11 N6 C9 109.5(8) 5_556 6
C11 N6 C9 70.5(8) . 6
C11 N6 C9 110.5(8) 6 6
C11 N6 C9 69.5(8) 2_556 6
C9 N6 C9 83.6(10) . 6
C9 N6 C9 96.4(10) 5_556 6
C11 N6 C9 70.5(8) 5_556 2_556
C11 N6 C9 109.5(8) . 2_556
C11 N6 C9 69.5(8) 6 2_556
C11 N6 C9 110.5(8) 2_556 2_556
C9 N6 C9 96.4(10) . 2_556
C9 N6 C9 83.6(10) 5_556 2_556
C9 N6 C9 180.000(3) 6 2_556
C15 N7 C13 106.4(7) . .
C15 N7 C17 111.0(5) . 6
C13 N7 C17 110.5(5) . 6
C15 N7 C17 111.0(5) . .
C13 N7 C17 110.5(5) . .
C17 N7 C17 107.4(8) 6 .
C21 N8 C21 180(2) 5_665 .
C21 N8 C21 119(2) 5_665 6_565
C21 N8 C21 61(2) . 6_565
C21 N8 C21 61(2) 5_665 2_655
C21 N8 C21 119(2) . 2_655
C21 N8 C21 180.0(16) 6_565 2_655
C21 N8 C19 69.5(10) 5_665 .
C21 N8 C19 110.5(10) . .
C21 N8 C19 71.6(12) 6_565 .
C21 N8 C19 108.4(12) 2_655 .
C21 N8 C19 110.5(10) 5_665 5_665
C21 N8 C19 69.5(10) . 5_665
C21 N8 C19 108.4(12) 6_565 5_665
C21 N8 C19 71.6(12) 2_655 5_665
C19 N8 C19 180.0(19) . 5_665
C21 N8 C19 108.4(12) 5_665 6_565
C21 N8 C19 71.6(12) . 6_565
C21 N8 C19 110.5(10) 6_565 6_565
C21 N8 C19 69.5(10) 2_655 6_565
C19 N8 C19 82.5(15) . 6_565
C19 N8 C19 97.5(15) 5_665 6_565
C21 N8 C19 71.6(12) 5_665 2_655
C21 N8 C19 108.4(12) . 2_655
C21 N8 C19 69.5(10) 6_565 2_655
C21 N8 C19 110.5(10) 2_655 2_655
C19 N8 C19 97.5(15) . 2_655
C19 N8 C19 82.5(15) 5_665 2_655
C19 N8 C19 180.000(3) 6_565 2_655
C24A N9A N9A 0.0(6) 6_565 6_565
C24A N9A Mo1 171.50(15) 6_565 .
N9A N9A Mo1 171.50(15) 6_565 .
C24B N9B N9B 0.0(8) 2 2
C24B N9B Mo1 176.4(3) 2 .
N9B N9B Mo1 176.4(3) 2 .
C3 C1 C2 122.8(7) . .
C3 C1 S1 121.0(5) . .
C2 C1 S1 116.2(6) . .
N1 C2 C1 177.7(8) . .
C1 C3 C4 124.6(6) . .
C1 C3 S2 118.9(5) . .
C4 C3 S2 116.3(5) . .
N2 C4 C3 175.1(8) . .
C7 C5 C6 122.4(9) . .
C7 C5 S3 119.7(6) . .
C6 C5 S3 117.9(9) . .
N4 C6 C5 178.9(16) . .
C5 C7 C8 120.6(8) . .
C5 C7 S4 120.4(6) . .
C8 C7 S4 118.9(8) . .
N3 C8 C7 179.5(17) . .
N6 C9 C10 99.5(8) . .
N6 C9 H9A 111.9 . .
C10 C9 H9A 111.9 . .
N6 C9 H9B 111.9 . .
C10 C9 H9B 111.9 . .
H9A C9 H9B 109.6 . .
C9 C10 H10A 109.5 . .
C9 C10 H10B 109.5 . .
H10A C10 H10B 109.5 . .
C9 C10 H10C 109.5 . .
H10A C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
N6 C11 C12 120.3(10) . .
N6 C11 H11A 107.3 . .
C12 C11 H11A 107.3 . .
N6 C11 H11B 107.3 . .
C12 C11 H11B 107.3 . .
H11A C11 H11B 106.9 . .
C11 C12 H12A 109.5 . .
C11 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
C11 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
N7 C13 C14 114.5(8) . .
N7 C13 H13A 108.6 . .
C14 C13 H13A 108.6 . .
N7 C13 H13B 108.6 . .
C14 C13 H13B 108.6 . .
H13A C13 H13B 107.6 . .
C13 C14 H14A 109.5 . .
C13 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
C13 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
N7 C15 C16 113.6(8) . .
N7 C15 H15A 108.8 . .
C16 C15 H15A 108.8 . .
N7 C15 H15B 108.8 . .
C16 C15 H15B 108.8 . .
H15A C15 H15B 107.7 . .
C15 C16 H16A 109.5 . .
C15 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
C15 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
C18 C17 N7 114.6(6) . .
C18 C17 H17A 108.6 . .
N7 C17 H17A 108.6 . .
C18 C17 H17B 108.6 . .
N7 C17 H17B 108.6 . .
H17A C17 H17B 107.6 . .
C17 C18 H18A 109.5 . .
C17 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
C17 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
C20 C19 N8 112.9(15) . .
C20 C19 H19A 109.0 . .
N8 C19 H19A 109.0 . .
C20 C19 H19B 109.0 . .
N8 C19 H19B 109.0 . .
H19A C19 H19B 107.8 . .
C19 C20 H20A 109.5 . .
C19 C20 H20B 109.5 . .
H20A C20 H20B 109.5 . .
C19 C20 H20C 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
N8 C21 C22 122.4(17) . .
N8 C21 H21A 106.7 . .
C22 C21 H21A 106.7 . .
N8 C21 H21B 106.7 . .
C22 C21 H21B 106.7 . .
H21A C21 H21B 106.6 . .
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 . .
Cl1 C23 Cl1 111.1(7) . 2_656
Cl1 C23 H23A 109.4 . .
Cl1 C23 H23A 109.4 2_656 .
Cl1 C23 H23B 109.4 . .
Cl1 C23 H23B 109.4 2_656 .
H23A C23 H23B 108.0 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mo1 N9A 2.129(6) .
Mo1 N9B 2.132(6) .
Mo1 S3 2.3311(19) .
Mo1 S4 2.346(2) .
Mo1 S1 2.3465(18) .
Mo1 S2 2.3488(19) .
Cl1 C23 1.778(8) .
S1 C1 1.722(7) .
S2 C3 1.740(7) .
S3 C5 1.727(10) .
S4 C7 1.734(8) .
N1 C2 1.152(9) .
N2 C4 1.141(9) .
N3 C8 1.152(13) .
N4 C6 1.152(11) .
N6 C11 1.425(13) 5_556
N6 C11 1.425(13) .
N6 C11 1.425(13) 6
N6 C11 1.425(13) 2_556
N6 C9 1.613(14) .
N6 C9 1.613(14) 5_556
N6 C9 1.613(14) 6
N6 C9 1.613(14) 2_556
N7 C15 1.506(13) .
N7 C13 1.511(13) .
N7 C17 1.520(9) 6
N7 C17 1.520(9) .
N8 C21 1.40(2) 5_665
N8 C21 1.40(2) .
N8 C21 1.40(2) 6_565
N8 C21 1.40(2) 2_655
N8 C19 1.602(19) .
N8 C19 1.602(19) 5_665
N8 C19 1.602(19) 6_565
N8 C19 1.602(19) 2_655
N9A C24A 1.152(12) 6_565
N9A N9A 1.152(12) 6_565
N9B C24B 1.124(11) 2
N9B N9B 1.124(11) 2
C1 C3 1.367(10) .
C1 C2 1.431(10) .
C3 C4 1.435(10) .
C5 C7 1.362(13) .
C5 C6 1.433(12) .
C7 C8 1.415(13) .
C9 C10 1.719(17) .
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C10 H10A 0.9600 .
C10 H10B 0.9600 .
C10 H10C 0.9600 .
C11 C12 1.517(15) .
C11 H11A 0.9700 .
C11 H11B 0.9700 .
C12 H12A 0.9600 .
C12 H12B 0.9600 .
C12 H12C 0.9600 .
C13 C14 1.545(14) .
C13 H13A 0.9700 .
C13 H13B 0.9700 .
C14 H14A 0.9600 .
C14 H14B 0.9600 .
C14 H14C 0.9600 .
C15 C16 1.531(14) .
C15 H15A 0.9700 .
C15 H15B 0.9700 .
C16 H16A 0.9600 .
C16 H16B 0.9600 .
C16 H16C 0.9600 .
C17 C18 1.489(12) .
C17 H17A 0.9700 .
C17 H17B 0.9700 .
C18 H18A 0.9600 .
C18 H18B 0.9600 .
C18 H18C 0.9600 .
C19 C20 1.50(2) .
C19 H19A 0.9700 .
C19 H19B 0.9700 .
C20 H20A 0.9600 .
C20 H20B 0.9600 .
C20 H20C 0.9600 .
C21 C22 1.54(3) .
C21 H21A 0.9700 .
C21 H21B 0.9700 .
C22 H22A 0.9600 .
C22 H22B 0.9600 .
C22 H22C 0.9600 .
C23 Cl1 1.778(8) 2_656
C23 H23A 0.9700 .
C23 H23B 0.9700 .
