#------------------------------------------------------------------------------
#$Date: 2016-11-08 22:08:11 +0200 (Tue, 08 Nov 2016) $
#$Revision: 188242 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/06/7040685.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_7040685
loop_
_publ_author_name
'Iturmendi, Amaia'
'Sanz Miguel, Pablo J.'
'Popoola, Saheed A.'
'Al-Saadi, Abdulaziz A'
'Iglesias, Manuel'
'Oro, Luis A.'
_publ_section_title
;
 Dimethylphosphinate bridged binuclear Rh(i) catalysts for the
 alkoxycarbonylation of aromatic C-H bonds.
;
_journal_issue                   42
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              16955
_journal_page_last               16965
_journal_paper_doi               10.1039/c6dt03010f
_journal_volume                  45
_journal_year                    2016
_chemical_formula_moiety         'C60 H84 N4 O6 P2 Rh2, 2(C H2 Cl2)'
_chemical_formula_sum            'C62 H88 Cl4 N4 O6 P2 Rh2'
_chemical_formula_weight         1394.92
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             2016-02-15T13:16:34-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_audit_update_record
;
2016-07-27 deposited with the CCDC.
2016-09-20 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 107.3960(10)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   12.7954(8)
_cell_length_b                   17.1516(10)
_cell_length_c                   16.0830(10)
_cell_measurement_reflns_used    5375
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      21.03
_cell_measurement_theta_min      2.15
_cell_volume                     3368.2(4)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 1
_diffrn_measured_fraction_theta_max 0.957
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1104
_diffrn_reflns_av_unetI/netI     0.0661
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            82380
_diffrn_reflns_theta_full        25
_diffrn_reflns_theta_max         28.82
_diffrn_reflns_theta_min         2.05
_exptl_absorpt_coefficient_mu    0.745
_exptl_absorpt_correction_T_max  0.894
_exptl_absorpt_correction_T_min  0.768
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.375
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prisms
_exptl_crystal_F_000             1448
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.132
_refine_diff_density_min         -0.632
_refine_diff_density_rms         0.101
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.024
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     371
_refine_ls_number_reflns         8426
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.024
_refine_ls_R_factor_all          0.0823
_refine_ls_R_factor_gt           0.0451
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0238P)²+3.5643P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0758
_refine_ls_wR_factor_ref         0.089
_reflns_number_gt                5954
_reflns_number_total             8426
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c6dt03010f2.cif
_cod_data_source_block           1
_cod_depositor_comments
'Adding full bibliography for 7040683--7040686.cif.'
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7040685
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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
Rh1 Rh 0.688001(19) 0.519631(14) 0.620889(15) 0.01924(7) Uani 1 1 d .
C1 C 0.7980(2) 0.57372(19) 0.60194(19) 0.0249(7) Uani 1 1 d .
O1 O 0.86384(19) 0.61122(14) 0.58458(15) 0.0354(6) Uani 1 1 d .
N11 N 0.80361(19) 0.47978(14) 0.80953(15) 0.0201(5) Uani 1 1 d .
C12 C 0.7841(2) 0.46482(17) 0.72307(19) 0.0194(6) Uani 1 1 d .
N13 N 0.8360(2) 0.39605(14) 0.72135(16) 0.0200(5) Uani 1 1 d .
C14 C 0.8867(3) 0.36912(18) 0.8051(2) 0.0250(7) Uani 1 1 d .
H14 H 0.9276 0.3223 0.8205 0.03 Uiso 1 1 calc R
C15 C 0.8670(3) 0.42144(18) 0.8600(2) 0.0255(7) Uani 1 1 d .
H15 H 0.8918 0.4192 0.9218 0.031 Uiso 1 1 calc R
C21 C 0.7804(3) 0.55231(18) 0.84744(19) 0.0251(7) Uani 1 1 d .
C22 C 0.6902(3) 0.55610(18) 0.8790(2) 0.0259(7) Uani 1 1 d .
C23 C 0.6806(3) 0.6242(2) 0.9240(2) 0.0348(8) Uani 1 1 d .
H23 H 0.6212 0.6291 0.9476 0.042 Uiso 1 1 calc R
C24 C 0.7545(3) 0.6841(2) 0.9351(2) 0.0410(9) Uani 1 1 d .
H24 H 0.7462 0.7292 0.9667 0.049 Uiso 1 1 calc R
C25 C 0.8410(3) 0.6792(2) 0.9006(2) 0.0364(9) Uani 1 1 d .
H25 H 0.8904 0.7217 0.9074 0.044 Uiso 1 1 calc R
C26 C 0.8567(3) 0.61283(19) 0.8561(2) 0.0276(7) Uani 1 1 d .
C31 C 0.8489(3) 0.36066(17) 0.64330(19) 0.0214(6) Uani 1 1 d .
C32 C 0.9399(3) 0.38256(18) 0.6179(2) 0.0249(7) Uani 1 1 d .
C33 C 0.9490(3) 0.34943(19) 0.5410(2) 0.0302(8) Uani 1 1 d .
H33 H 1.0094 0.3629 0.521 0.036 Uiso 1 1 calc R
C34 C 0.8711(3) 0.29712(19) 0.4934(2) 0.0321(8) Uani 1 1 d .
H34 H 0.8778 0.2759 0.4406 0.039 Uiso 1 1 calc R
C35 C 0.7843(3) 0.27585(19) 0.5222(2) 0.0306(8) Uani 1 1 d .
H35 H 0.7321 0.2396 0.4891 0.037 Uiso 1 1 calc R
C36 C 0.7711(3) 0.30615(18) 0.5985(2) 0.0243(7) Uani 1 1 d .
P41 P 0.43787(6) 0.45572(5) 0.58288(5) 0.02189(18) Uani 1 1 d .
O41 O 0.55577(16) 0.45985(12) 0.64114(13) 0.0246(5) Uani 1 1 d .
O42 O 0.42465(16) 0.43026(12) 0.48970(13) 0.0221(5) Uani 1 1 d .
C43 C 0.3693(3) 0.54695(18) 0.5844(2) 0.0255(7) Uani 1 1 d .
H431 H 0.4017 0.5872 0.5566 0.038 Uiso 1 1 calc R
H432 H 0.3776 0.5619 0.6448 0.038 Uiso 1 1 calc R
H433 H 0.2914 0.5414 0.5526 0.038 Uiso 1 1 calc R
C44 C 0.3690(3) 0.38650(19) 0.6318(2) 0.0288(7) Uani 1 1 d .
H441 H 0.405 0.3356 0.6355 0.043 Uiso 1 1 calc R
H442 H 0.2924 0.3819 0.5961 0.043 Uiso 1 1 calc R
H443 H 0.3722 0.4042 0.6904 0.043 Uiso 1 1 calc R
C221 C 0.6094(3) 0.4900(2) 0.8681(2) 0.0299(7) Uani 1 1 d .
H221 H 0.6177 0.4555 0.8203 0.036 Uiso 1 1 calc R
C222 C 0.6337(3) 0.4416(2) 0.9510(3) 0.0486(10) Uani 1 1 d .
H222 H 0.7074 0.4194 0.9643 0.073 Uiso 1 1 calc R
H223 H 0.5799 0.3993 0.9427 0.073 Uiso 1 1 calc R
H224 H 0.6292 0.4748 0.9994 0.073 Uiso 1 1 calc R
C223 C 0.4914(3) 0.5192(2) 0.8423(2) 0.0425(9) Uani 1 1 d .
H225 H 0.4774 0.5519 0.7901 0.064 Uiso 1 1 calc R
H226 H 0.4798 0.5499 0.8902 0.064 Uiso 1 1 calc R
H227 H 0.4413 0.4746 0.8301 0.064 Uiso 1 1 calc R
C261 C 0.9526(3) 0.6072(2) 0.8196(2) 0.0290(8) Uani 1 1 d .
H261 H 0.9341 0.5663 0.7731 0.035 Uiso 1 1 calc R
C262 C 0.9733(3) 0.6829(2) 0.7774(2) 0.0354(8) Uani 1 1 d .
H262 H 0.9044 0.7018 0.7372 0.053 Uiso 1 1 calc R
H263 H 1.0261 0.6735 0.7452 0.053 Uiso 1 1 calc R
H264 H 1.0028 0.7221 0.8226 0.053 Uiso 1 1 calc R
C263 C 1.0567(3) 0.5806(2) 0.8889(2) 0.0406(9) Uani 1 1 d .
H265 H 1.0422 0.5319 0.9153 0.061 Uiso 1 1 calc R
H266 H 1.0797 0.6208 0.934 0.061 Uiso 1 1 calc R
H267 H 1.115 0.5722 0.8619 0.061 Uiso 1 1 calc R
C321 C 1.0284(3) 0.43657(19) 0.6726(2) 0.0302(8) Uani 1 1 d .
H321 H 0.994 0.4698 0.7084 0.036 Uiso 1 1 calc R
C322 C 1.1206(3) 0.3896(2) 0.7360(2) 0.0384(9) Uani 1 1 d .
H322 H 1.0902 0.3581 0.7741 0.058 Uiso 1 1 calc R
H323 H 1.1758 0.4254 0.7714 0.058 Uiso 1 1 calc R
H324 H 1.1547 0.3552 0.7028 0.058 Uiso 1 1 calc R
C323 C 1.0780(3) 0.4910(2) 0.6194(3) 0.0408(9) Uani 1 1 d .
H325 H 1.0194 0.5203 0.5779 0.061 Uiso 1 1 calc R
H326 H 1.1181 0.4602 0.5876 0.061 Uiso 1 1 calc R
H327 H 1.1284 0.5275 0.6586 0.061 Uiso 1 1 calc R
C361 C 0.6803(3) 0.27780(19) 0.6341(2) 0.0272(7) Uani 1 1 d .
H361 H 0.6652 0.3199 0.672 0.033 Uiso 1 1 calc R
C362 C 0.5737(3) 0.2593(2) 0.5641(2) 0.0362(8) Uani 1 1 d .
H362 H 0.5481 0.3058 0.5284 0.054 Uiso 1 1 calc R
H363 H 0.5184 0.2433 0.5917 0.054 Uiso 1 1 calc R
H364 H 0.5859 0.217 0.5272 0.054 Uiso 1 1 calc R
C363 C 0.7191(3) 0.2056(2) 0.6911(2) 0.0375(9) Uani 1 1 d .
H365 H 0.7837 0.219 0.7397 0.056 Uiso 1 1 calc R
H366 H 0.7382 0.1643 0.6561 0.056 Uiso 1 1 calc R
H367 H 0.6604 0.1874 0.7138 0.056 Uiso 1 1 calc R
Cl51 Cl 0.33216(8) 0.27765(7) 0.86964(7) 0.0530(3) Uani 1 1 d .
C52 C 0.3981(3) 0.2075(2) 0.8245(3) 0.0463(10) Uani 1 1 d .
H521 H 0.3481 0.1903 0.7677 0.056 Uiso 1 1 calc R
H522 H 0.4154 0.1615 0.8634 0.056 Uiso 1 1 calc R
Cl53 Cl 0.51958(8) 0.24365(6) 0.80910(7) 0.0489(3) 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 0 '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 0.006 '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'
Rh Rh -1.1178 0.9187 '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_3
C1 Rh1 C12 93.63(12) .
C1 Rh1 O41 177.92(12) .
C12 Rh1 O41 88.17(10) .
C1 Rh1 O42 91.10(11) 3_666
C12 Rh1 O42 174.82(10) 3_666
O41 Rh1 O42 87.15(8) 3_666
O1 C1 Rh1 175.1(3) .
C12 N11 C15 111.0(2) .
C12 N11 C21 126.2(2) .
C15 N11 C21 121.9(2) .
N13 C12 N11 104.0(2) .
N13 C12 Rh1 125.7(2) .
N11 C12 Rh1 129.8(2) .
C12 N13 C14 111.0(2) .
C12 N13 C31 124.4(2) .
C14 N13 C31 124.1(2) .
C15 C14 N13 107.0(3) .
C15 C14 H14 126.5 .
N13 C14 H14 126.5 .
C14 C15 N11 106.9(3) .
C14 C15 H15 126.5 .
N11 C15 H15 126.5 .
C22 C21 C26 123.8(3) .
C22 C21 N11 119.2(3) .
C26 C21 N11 116.8(3) .
C21 C22 C23 115.9(3) .
C21 C22 C221 122.4(3) .
C23 C22 C221 121.7(3) .
C24 C23 C22 122.0(3) .
C24 C23 H23 119 .
C22 C23 H23 119 .
C23 C24 C25 120.5(3) .
C23 C24 H24 119.8 .
C25 C24 H24 119.8 .
C24 C25 C26 120.8(3) .
C24 C25 H25 119.6 .
C26 C25 H25 119.6 .
C25 C26 C21 117.0(3) .
C25 C26 C261 120.7(3) .
C21 C26 C261 122.3(3) .
C32 C31 C36 123.9(3) .
C32 C31 N13 117.6(3) .
C36 C31 N13 118.5(3) .
C31 C32 C33 116.6(3) .
C31 C32 C321 122.4(3) .
C33 C32 C321 121.0(3) .
C34 C33 C32 121.0(3) .
C34 C33 H33 119.5 .
C32 C33 H33 119.5 .
C35 C34 C33 120.3(3) .
C35 C34 H34 119.9 .
C33 C34 H34 119.9 .
C34 C35 C36 121.5(3) .
C34 C35 H35 119.2 .
C36 C35 H35 119.2 .
C35 C36 C31 116.7(3) .
C35 C36 C361 121.5(3) .
C31 C36 C361 121.8(3) .
O42 P41 O41 114.70(12) .
O42 P41 C44 108.51(14) .
O41 P41 C44 106.69(14) .
O42 P41 C43 110.62(13) .
O41 P41 C43 110.44(14) .
C44 P41 C43 105.36(15) .
P41 O41 Rh1 128.92(12) .
P41 O42 Rh1 124.10(12) 3_666
P41 C43 H431 109.5 .
P41 C43 H432 109.5 .
H431 C43 H432 109.5 .
P41 C43 H433 109.5 .
H431 C43 H433 109.5 .
H432 C43 H433 109.5 .
P41 C44 H441 109.5 .
P41 C44 H442 109.5 .
H441 C44 H442 109.5 .
P41 C44 H443 109.5 .
H441 C44 H443 109.5 .
H442 C44 H443 109.5 .
C22 C221 C222 110.8(3) .
C22 C221 C223 111.9(3) .
C222 C221 C223 110.0(3) .
C22 C221 H221 108 .
C222 C221 H221 108 .
C223 C221 H221 108 .
C221 C222 H222 109.5 .
C221 C222 H223 109.5 .
H222 C222 H223 109.5 .
C221 C222 H224 109.5 .
H222 C222 H224 109.5 .
H223 C222 H224 109.5 .
C221 C223 H225 109.5 .
C221 C223 H226 109.5 .
H225 C223 H226 109.5 .
C221 C223 H227 109.5 .
H225 C223 H227 109.5 .
H226 C223 H227 109.5 .
C26 C261 C262 112.8(3) .
C26 C261 C263 111.6(3) .
C262 C261 C263 110.4(3) .
C26 C261 H261 107.3 .
C262 C261 H261 107.3 .
C263 C261 H261 107.3 .
C261 C262 H262 109.5 .
C261 C262 H263 109.5 .
H262 C262 H263 109.5 .
C261 C262 H264 109.5 .
H262 C262 H264 109.5 .
H263 C262 H264 109.5 .
C261 C263 H265 109.5 .
C261 C263 H266 109.5 .
H265 C263 H266 109.5 .
C261 C263 H267 109.5 .
H265 C263 H267 109.5 .
H266 C263 H267 109.5 .
C32 C321 C323 114.2(3) .
C32 C321 C322 110.8(3) .
C323 C321 C322 109.0(3) .
C32 C321 H321 107.5 .
C323 C321 H321 107.5 .
C322 C321 H321 107.5 .
C321 C322 H322 109.5 .
C321 C322 H323 109.5 .
H322 C322 H323 109.5 .
C321 C322 H324 109.5 .
H322 C322 H324 109.5 .
H323 C322 H324 109.5 .
C321 C323 H325 109.5 .
C321 C323 H326 109.5 .
H325 C323 H326 109.5 .
C321 C323 H327 109.5 .
H325 C323 H327 109.5 .
H326 C323 H327 109.5 .
C36 C361 C362 113.9(3) .
C36 C361 C363 109.6(3) .
C362 C361 C363 109.5(3) .
C36 C361 H361 107.9 .
C362 C361 H361 107.9 .
C363 C361 H361 107.9 .
C361 C362 H362 109.5 .
C361 C362 H363 109.5 .
H362 C362 H363 109.5 .
C361 C362 H364 109.5 .
H362 C362 H364 109.5 .
H363 C362 H364 109.5 .
C361 C363 H365 109.5 .
C361 C363 H366 109.5 .
H365 C363 H366 109.5 .
C361 C363 H367 109.5 .
H365 C363 H367 109.5 .
H366 C363 H367 109.5 .
Cl51 C52 Cl53 111.9(2) .
Cl51 C52 H521 109.2 .
Cl53 C52 H521 109.2 .
Cl51 C52 H522 109.2 .
Cl53 C52 H522 109.2 .
H521 C52 H522 107.9 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Rh1 C1 1.786(3) .
Rh1 C12 1.972(3) .
Rh1 O41 2.086(2) .
Rh1 O42 2.109(2) 3_666
C1 O1 1.158(4) .
N11 C12 1.362(4) .
N11 C15 1.387(4) .
N11 C21 1.455(4) .
C12 N13 1.358(4) .
N13 C14 1.388(4) .
N13 C31 1.448(4) .
C14 C15 1.334(4) .
C14 H14 0.95 .
C15 H15 0.95 .
C21 C22 1.395(4) .
C21 C26 1.403(4) .
C22 C23 1.398(4) .
C22 C221 1.508(5) .
C23 C24 1.371(5) .
C23 H23 0.95 .
C24 C25 1.380(5) .
C24 H24 0.95 .
C25 C26 1.391(4) .
C25 H25 0.95 .
C26 C261 1.513(4) .
C31 C32 1.395(4) .
C31 C36 1.399(4) .
C32 C33 1.397(4) .
C32 C321 1.523(5) .
C33 C34 1.389(5) .
C33 H33 0.95 .
C34 C35 1.374(5) .
C34 H34 0.95 .
C35 C36 1.390(4) .
C35 H35 0.95 .
C36 C361 1.520(4) .
P41 O42 1.521(2) .
P41 O41 1.521(2) .
P41 C44 1.794(3) .
P41 C43 1.797(3) .
O42 Rh1 2.109(2) 3_666
C43 H431 0.98 .
C43 H432 0.98 .
C43 H433 0.98 .
C44 H441 0.98 .
C44 H442 0.98 .
C44 H443 0.98 .
C221 C222 1.523(5) .
C221 C223 1.526(5) .
C221 H221 1 .
C222 H222 0.98 .
C222 H223 0.98 .
C222 H224 0.98 .
C223 H225 0.98 .
C223 H226 0.98 .
C223 H227 0.98 .
C261 C262 1.526(4) .
C261 C263 1.528(5) .
C261 H261 1 .
C262 H262 0.98 .
C262 H263 0.98 .
C262 H264 0.98 .
C263 H265 0.98 .
C263 H266 0.98 .
C263 H267 0.98 .
C321 C323 1.527(4) .
C321 C322 1.537(5) .
C321 H321 1 .
C322 H322 0.98 .
C322 H323 0.98 .
C322 H324 0.98 .
C323 H325 0.98 .
C323 H326 0.98 .
C323 H327 0.98 .
C361 C362 1.520(4) .
C361 C363 1.532(5) .
C361 H361 1 .
C362 H362 0.98 .
C362 H363 0.98 .
C362 H364 0.98 .
C363 H365 0.98 .
C363 H366 0.98 .
C363 H367 0.98 .
Cl51 C52 1.748(4) .
C52 Cl53 1.758(4) .
C52 H521 0.99 .
C52 H522 0.99 .
