#------------------------------------------------------------------------------
#$Date: 2018-11-01 05:55:26 +0200 (Thu, 01 Nov 2018) $
#$Revision: 211747 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/24/27/2242704.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2242704
loop_
_publ_author_name
'Stucke, Nadja'
'Näther, Christian'
'Tuczek, Felix'
_publ_section_title
;
 Crystal structure of [{FeCl₃}₂(μ-PCHP)₂] [PCHP =
 1,3-bis(2-diphenylphosphanylethyl)-3H-imidazol-1-ium] with an
 unknown solvent
;
_journal_coeditor_code           WM5467
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              1686
_journal_page_last               1690
_journal_paper_doi               10.1107/S205698901801472X
_journal_volume                  74
_journal_year                    2018
_chemical_formula_iupac          '[Fe2 Cl6 (C31 H31 N2 P2)2]'
_chemical_formula_moiety         'C62 H62 Cl6 Fe2 N4 P4'
_chemical_formula_sum            'C62 H62 Cl6 Fe2 N4 P4'
_chemical_formula_weight         1311.44
_chemical_name_systematic
Bis{μ-1,3-bis[2-(diphenylphosphanyl)ethyl]-1H-imidazole-κ²P:P'}bis[trichloridoiron(III)]
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014
_cell_angle_alpha                90
_cell_angle_beta                 100.142(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   13.5685(3)
_cell_length_b                   11.02270(10)
_cell_length_c                   24.1575(5)
_cell_measurement_reflns_used    54486
_cell_measurement_temperature    170(2)
_cell_measurement_theta_max      27.948
_cell_measurement_theta_min      1.713
_cell_volume                     3556.58(11)
_computing_cell_refinement
;
X-AREA (Stoe & Cie, 2008)
;
_computing_data_collection
;
X-AREA (Stoe & Cie, 2008)
;
_computing_data_reduction
;
X-AREA (Stoe & Cie, 2008)
;
_computing_molecular_graphics
;
XP (Sheldrick, 2008) and DIAMOND (Brandenburg, 2014)
;
_computing_publication_material
;
publCIF (Westrip, 2010)
;
_computing_structure_refinement
;
SHELXL2014 (Sheldrick, 2015)
;
_computing_structure_solution
;
SHELXS97 (Sheldrick, 2008)
;
_diffrn_ambient_temperature      170(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Stoe IPDS-2'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0367
_diffrn_reflns_av_unetI/netI     0.0170
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            54486
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.948
_diffrn_reflns_theta_min         1.713
_exptl_absorpt_coefficient_mu    0.760
_exptl_absorpt_correction_T_max  0.9490
_exptl_absorpt_correction_T_min  0.8395
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details
;
(X-RED and X-SHAPE; Stoe & Cie, 2008)
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.225
_exptl_crystal_description       block
_exptl_crystal_F_000             1352
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.07
_refine_diff_density_max         0.366
_refine_diff_density_min         -0.341
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.067
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     352
_refine_ls_number_reflns         8468
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.067
_refine_ls_R_factor_all          0.0392
_refine_ls_R_factor_gt           0.0358
_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)+(0.0386P)²+1.7166P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0854
_refine_ls_wR_factor_ref         0.0872
_reflns_number_gt                7787
_reflns_number_total             8468
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            wm5467sup1.cif
_cod_data_source_block           I
_cod_database_code               2242704
_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.
;
_shelxl_version_number           2.014
loop_
_space_group_symop_operation_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_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_occupancy
Fe Fe1 0.63910(2) 0.28699(2) 0.60806(2) 0.03183(7) Uani d 1
Cl Cl1 0.51169(3) 0.14406(4) 0.59404(2) 0.04101(10) Uani d 1
Cl Cl2 0.63279(4) 0.45216(4) 0.54744(2) 0.04799(12) Uani d 1
Cl Cl3 0.78456(3) 0.28478(4) 0.67715(2) 0.04270(11) Uani d 1
C C1 0.55808(12) 0.69486(15) 0.61066(7) 0.0340(3) Uani d 1
H H1 0.5664 0.6344 0.5839 0.041 Uiso calc 1
N N1 0.59768(10) 0.69243(13) 0.66511(6) 0.0343(3) Uani d 1
C C2 0.56772(15) 0.79492(17) 0.69012(7) 0.0445(4) Uani d 1
H H2 0.5846 0.8159 0.7288 0.053 Uiso calc 1
C C3 0.50986(15) 0.86009(17) 0.64948(7) 0.0448(4) Uani d 1
H H3 0.4785 0.9356 0.6541 0.054 Uiso calc 1
N N2 0.50507(11) 0.79597(13) 0.60010(6) 0.0350(3) Uani d 1
C C4 0.66873(12) 0.60071(16) 0.69286(7) 0.0367(3) Uani d 1
H H4A 0.7229 0.6424 0.7187 0.044 Uiso calc 1
H H4B 0.6995 0.5588 0.6639 0.044 Uiso calc 1
C C5 0.62115(12) 0.50624(16) 0.72590(7) 0.0351(3) Uani d 1
H H5A 0.5782 0.5484 0.7489 0.042 Uiso calc 1
H H5B 0.6749 0.4643 0.7520 0.042 Uiso calc 1
C C6 0.45503(12) 0.83335(16) 0.54351(6) 0.0360(3) Uani d 1
H H6A 0.4809 0.7843 0.5149 0.043 Uiso calc 1
H H6B 0.4704 0.9196 0.5373 0.043 Uiso calc 1
C C7 0.34257(12) 0.81690(16) 0.53670(7) 0.0355(3) Uani d 1
H H7A 0.3158 0.8778 0.5603 0.043 Uiso calc 1
H H7B 0.3286 0.7356 0.5509 0.043 Uiso calc 1
P P1 0.54491(3) 0.39123(4) 0.68183(2) 0.03175(9) Uani d 1
C C11 0.42554(12) 0.46751(16) 0.65615(7) 0.0355(3) Uani d 1
C C12 0.38523(15) 0.5591(2) 0.68493(8) 0.0479(4) Uani d 1
H H12 0.4205 0.5857 0.7203 0.057 Uiso calc 1
C C13 0.29422(16) 0.6119(2) 0.66253(9) 0.0551(5) Uani d 1
H H13 0.2674 0.6740 0.6827 0.066 Uiso calc 1
C C14 0.24243(14) 0.5746(2) 0.61094(8) 0.0470(4) Uani d 1
H H14 0.1793 0.6094 0.5961 0.056 Uiso calc 1
C C15 0.28280(14) 0.4868(2) 0.58128(8) 0.0466(4) Uani d 1
H H15 0.2481 0.4625 0.5454 0.056 Uiso calc 1
C C16 0.37388(13) 0.43355(18) 0.60342(7) 0.0418(4) Uani d 1
H H16 0.4012 0.3733 0.5824 0.050 Uiso calc 1
C C21 0.51823(12) 0.28897(16) 0.73749(7) 0.0364(3) Uani d 1
C C22 0.45819(15) 0.3229(2) 0.77591(8) 0.0468(4) Uani d 1
H H22 0.4249 0.3991 0.7720 0.056 Uiso calc 1
C C23 0.44646(16) 0.2461(2) 0.82003(9) 0.0548(5) Uani d 1
H H23 0.4057 0.2702 0.8463 0.066 Uiso calc 1
C C24 0.49388(16) 0.1350(2) 0.82568(9) 0.0548(5) Uani d 1
H H24 0.4860 0.0828 0.8559 0.066 Uiso calc 1
C C25 0.55305(16) 0.0996(2) 0.78729(9) 0.0510(5) Uani d 1
H H25 0.5854 0.0228 0.7910 0.061 Uiso calc 1
C C26 0.56500(14) 0.17639(18) 0.74351(8) 0.0412(4) Uani d 1
H H26 0.6057 0.1518 0.7173 0.049 Uiso calc 1
P P2 0.27552(3) 0.83192(4) 0.46365(2) 0.03108(9) Uani d 1
C C31 0.25966(12) 0.99424(15) 0.45051(7) 0.0329(3) Uani d 1
C C32 0.29258(13) 1.08429(17) 0.48956(8) 0.0410(4) Uani d 1
H H32 0.3247 1.0628 0.5264 0.049 Uiso calc 1
C C33 0.27869(14) 1.20583(18) 0.47496(9) 0.0467(4) Uani d 1
H H33 0.3025 1.2668 0.5018 0.056 Uiso calc 1
C C34 0.23076(14) 1.23876(17) 0.42205(9) 0.0435(4) Uani d 1
H H34 0.2199 1.3220 0.4127 0.052 Uiso calc 1
C C35 0.19850(15) 1.14984(18) 0.38268(8) 0.0455(4) Uani d 1
H H35 0.1658 1.1720 0.3460 0.055 Uiso calc 1
C C36 0.21367(15) 1.02863(17) 0.39651(7) 0.0421(4) Uani d 1
H H36 0.1926 0.9682 0.3689 0.051 Uiso calc 1
C C41 0.15144(13) 0.78454(16) 0.47522(7) 0.0360(3) Uani d 1
C C42 0.09715(15) 0.85216(19) 0.50838(9) 0.0469(4) Uani d 1
H H42 0.1225 0.9278 0.5235 0.056 Uiso calc 1
C C43 0.00641(16) 0.8097(2) 0.51940(10) 0.0557(5) Uani d 1
H H43 -0.0302 0.8560 0.5420 0.067 Uiso calc 1
C C44 -0.03052(16) 0.7005(2) 0.49754(10) 0.0584(6) Uani d 1
H H44 -0.0927 0.6714 0.5051 0.070 Uiso calc 1
C C45 0.02225(17) 0.6330(2) 0.46464(10) 0.0568(5) Uani d 1
H H45 -0.0038 0.5575 0.4497 0.068 Uiso calc 1
C C46 0.11314(14) 0.67456(18) 0.45325(8) 0.0443(4) Uani d 1
H H46 0.1491 0.6278 0.4304 0.053 Uiso calc 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'
N N 0.0061 0.0033 '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'
Fe Fe 0.3463 0.8444 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
Cl1 Fe1 Cl2 . . 119.70(2) y
Cl1 Fe1 Cl3 . . 127.439(19) y
Cl2 Fe1 Cl3 . . 112.83(2) y
Cl1 Fe1 P2 . 3_666 88.188(16) y
Cl2 Fe1 P2 . 3_666 86.935(16) y
Cl3 Fe1 P2 . 3_666 92.918(16) y
Cl1 Fe1 P1 . . 87.544(16) y
Cl2 Fe1 P1 . . 96.663(17) y
Cl3 Fe1 P1 . . 88.327(16) y
P2 Fe1 P1 3_666 . 175.405(17) y
N2 C1 N1 . . 108.54(15) ?
N2 C1 H1 . . 125.7 ?
N1 C1 H1 . . 125.7 ?
C1 N1 C2 . . 108.56(14) ?
C1 N1 C4 . . 125.54(15) ?
C2 N1 C4 . . 125.71(14) ?
C3 C2 N1 . . 107.24(15) ?
C3 C2 H2 . . 126.4 ?
N1 C2 H2 . . 126.4 ?
C2 C3 N2 . . 106.81(16) ?
C2 C3 H3 . . 126.6 ?
N2 C3 H3 . . 126.6 ?
C1 N2 C3 . . 108.85(14) ?
C1 N2 C6 . . 123.97(14) ?
C3 N2 C6 . . 127.10(15) ?
N1 C4 C5 . . 113.80(14) ?
N1 C4 H4A . . 108.8 ?
C5 C4 H4A . . 108.8 ?
N1 C4 H4B . . 108.8 ?
C5 C4 H4B . . 108.8 ?
H4A C4 H4B . . 107.7 ?
C4 C5 P1 . . 114.37(11) ?
C4 C5 H5A . . 108.7 ?
P1 C5 H5A . . 108.7 ?
C4 C5 H5B . . 108.7 ?
P1 C5 H5B . . 108.7 ?
H5A C5 H5B . . 107.6 ?
N2 C6 C7 . . 110.95(14) ?
N2 C6 H6A . . 109.4 ?
C7 C6 H6A . . 109.4 ?
N2 C6 H6B . . 109.4 ?
C7 C6 H6B . . 109.4 ?
H6A C6 H6B . . 108.0 ?
C6 C7 P2 . . 114.23(11) ?
C6 C7 H7A . . 108.7 ?
P2 C7 H7A . . 108.7 ?
C6 C7 H7B . . 108.7 ?
P2 C7 H7B . . 108.7 ?
H7A C7 H7B . . 107.6 ?
C11 P1 C21 . . 104.64(8) ?
C11 P1 C5 . . 104.57(8) ?
C21 P1 C5 . . 99.29(8) ?
C11 P1 Fe1 . . 118.44(5) ?
C21 P1 Fe1 . . 114.14(6) ?
C5 P1 Fe1 . . 113.56(6) ?
C12 C11 C16 . . 118.24(16) ?
C12 C11 P1 . . 124.42(13) ?
C16 C11 P1 . . 117.30(13) ?
C13 C12 C11 . . 120.75(18) ?
C13 C12 H12 . . 119.6 ?
C11 C12 H12 . . 119.6 ?
C14 C13 C12 . . 120.26(19) ?
C14 C13 H13 . . 119.9 ?
C12 C13 H13 . . 119.9 ?
C15 C14 C13 . . 119.60(17) ?
C15 C14 H14 . . 120.2 ?
C13 C14 H14 . . 120.2 ?
C14 C15 C16 . . 120.46(18) ?
C14 C15 H15 . . 119.8 ?
C16 C15 H15 . . 119.8 ?
C15 C16 C11 . . 120.62(17) ?
C15 C16 H16 . . 119.7 ?
C11 C16 H16 . . 119.7 ?
C22 C21 C26 . . 118.75(17) ?
C22 C21 P1 . . 122.51(15) ?
C26 C21 P1 . . 118.61(13) ?
C21 C22 C23 . . 120.5(2) ?
C21 C22 H22 . . 119.8 ?
C23 C22 H22 . . 119.8 ?
C24 C23 C22 . . 120.1(2) ?
C24 C23 H23 . . 119.9 ?
C22 C23 H23 . . 119.9 ?
C23 C24 C25 . . 119.97(19) ?
C23 C24 H24 . . 120.0 ?
C25 C24 H24 . . 120.0 ?
C24 C25 C26 . . 119.8(2) ?
C24 C25 H25 . . 120.1 ?
C26 C25 H25 . . 120.1 ?
C25 C26 C21 . . 120.84(19) ?
C25 C26 H26 . . 119.6 ?
C21 C26 H26 . . 119.6 ?
C31 P2 C41 . . 102.89(8) ?
C31 P2 C7 . . 106.13(8) ?
C41 P2 C7 . . 98.06(8) ?
C31 P2 Fe1 . 3_666 115.55(5) ?
C41 P2 Fe1 . 3_666 119.17(6) ?
C7 P2 Fe1 . 3_666 112.91(6) ?
C32 C31 C36 . . 118.58(16) ?
C32 C31 P2 . . 124.71(13) ?
C36 C31 P2 . . 116.67(13) ?
C31 C32 C33 . . 120.26(17) ?
C31 C32 H32 . . 119.9 ?
C33 C32 H32 . . 119.9 ?
C34 C33 C32 . . 120.70(18) ?
C34 C33 H33 . . 119.7 ?
C32 C33 H33 . . 119.7 ?
C33 C34 C35 . . 119.51(18) ?
C33 C34 H34 . . 120.2 ?
C35 C34 H34 . . 120.2 ?
C34 C35 C36 . . 120.19(18) ?
C34 C35 H35 . . 119.9 ?
C36 C35 H35 . . 119.9 ?
C35 C36 C31 . . 120.73(17) ?
C35 C36 H36 . . 119.6 ?
C31 C36 H36 . . 119.6 ?
C46 C41 C42 . . 119.10(17) ?
C46 C41 P2 . . 118.91(14) ?
C42 C41 P2 . . 121.86(14) ?
C43 C42 C41 . . 120.41(19) ?
C43 C42 H42 . . 119.8 ?
C41 C42 H42 . . 119.8 ?
C44 C43 C42 . . 119.9(2) ?
C44 C43 H43 . . 120.0 ?
C42 C43 H43 . . 120.0 ?
C43 C44 C45 . . 120.2(2) ?
C43 C44 H44 . . 119.9 ?
C45 C44 H44 . . 119.9 ?
C44 C45 C46 . . 120.4(2) ?
C44 C45 H45 . . 119.8 ?
C46 C45 H45 . . 119.8 ?
C41 C46 C45 . . 119.92(19) ?
C41 C46 H46 . . 120.0 ?
C45 C46 H46 . . 120.0 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Fe1 Cl1 . 2.3193(5) y
Fe1 Cl2 . 2.3285(5) y
Fe1 Cl3 . 2.3499(4) y
Fe1 P2 3_666 2.6014(5) y
Fe1 P1 . 2.6329(5) y
C1 N2 . 1.327(2) ?
C1 N1 . 1.331(2) ?
C1 H1 . 0.9500 ?
N1 C2 . 1.376(2) ?
N1 C4 . 1.474(2) ?
C2 C3 . 1.351(2) ?
C2 H2 . 0.9500 ?
C3 N2 . 1.378(2) ?
C3 H3 . 0.9500 ?
N2 C6 . 1.4740(19) ?
C4 C5 . 1.523(2) ?
C4 H4A . 0.9900 ?
C4 H4B . 0.9900 ?
C5 P1 . 1.8500(17) ?
C5 H5A . 0.9900 ?
C5 H5B . 0.9900 ?
C6 C7 . 1.517(2) ?
C6 H6A . 0.9900 ?
C6 H6B . 0.9900 ?
C7 P2 . 1.8450(16) ?
C7 H7A . 0.9900 ?
C7 H7B . 0.9900 ?
P1 C11 . 1.8334(17) ?
P1 C21 . 1.8387(18) ?
C11 C12 . 1.391(3) ?
C11 C16 . 1.393(2) ?
C12 C13 . 1.386(3) ?
C12 H12 . 0.9500 ?
C13 C14 . 1.381(3) ?
C13 H13 . 0.9500 ?
C14 C15 . 1.373(3) ?
C14 H14 . 0.9500 ?
C15 C16 . 1.388(3) ?
C15 H15 . 0.9500 ?
C16 H16 . 0.9500 ?
C21 C22 . 1.390(3) ?
C21 C26 . 1.390(3) ?
C22 C23 . 1.392(3) ?
C22 H22 . 0.9500 ?
C23 C24 . 1.379(3) ?
C23 H23 . 0.9500 ?
C24 C25 . 1.385(3) ?
C24 H24 . 0.9500 ?
C25 C26 . 1.387(3) ?
C25 H25 . 0.9500 ?
C26 H26 . 0.9500 ?
P2 C31 . 1.8233(17) ?
P2 C41 . 1.8306(18) ?
P2 Fe1 3_666 2.6013(5) ?
C31 C32 . 1.388(2) ?
C31 C36 . 1.396(2) ?
C32 C33 . 1.390(3) ?
C32 H32 . 0.9500 ?
C33 C34 . 1.377(3) ?
C33 H33 . 0.9500 ?
C34 C35 . 1.382(3) ?
C34 H34 . 0.9500 ?
C35 C36 . 1.384(3) ?
C35 H35 . 0.9500 ?
C36 H36 . 0.9500 ?
C41 C46 . 1.387(3) ?
C41 C42 . 1.395(3) ?
C42 C43 . 1.386(3) ?
C42 H42 . 0.9500 ?
C43 C44 . 1.373(3) ?
C43 H43 . 0.9500 ?
C44 C45 . 1.378(3) ?
C44 H44 . 0.9500 ?
C45 C46 . 1.388(3) ?
C45 H45 . 0.9500 ?
C46 H46 . 0.9500 ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
C2 H2 Cl3 2_656 0.95 2.65 3.4710(18) 145.2
C3 H3 Cl1 1_565 0.95 2.80 3.406(2) 122.9
C4 H4A Cl3 2_656 0.99 2.98 3.6985(18) 130.2
C6 H6A Cl1 3_666 0.99 2.77 3.4402(17) 125.8
C6 H6B Cl1 1_565 0.99 2.84 3.6716(19) 142.6
C16 H16 Cl1 . 0.95 2.93 3.726(2) 142.5
C32 H32 Cl1 1_565 0.95 2.91 3.6057(17) 131.4
C1 H1 Cl2 . 0.95 2.43 3.3260(17) 157.4

_cod_database_fobs_code 2242704
