# Electronic Supplementary Material (ESI) for Chemical Communications.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
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data_baiwei14
_database_code_depnum_ccdc_archive 'CCDC 2081092'
loop_
_audit_author_name
_audit_author_address
'Yan Zhou'
;Guangxi University for Nationalities
China
;
_audit_update_record             
;
2021-04-30 deposited with the CCDC.	2021-11-26 downloaded from the CCDC.
;
_audit_creation_date             2021-01-10
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelxl_version_number           2013-2
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C39 H34 Cl3 O P2 Re, 2(C H2 Cl2)'
_chemical_formula_sum            'C41 H38 Cl7 O P2 Re'
_chemical_formula_weight         1043.00
_chemical_melting_point          ?
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'
O O 0.0106 0.0060 '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'
Re Re -1.0185 7.2310 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   10.7012(11)
_cell_length_b                   10.5762(10)
_cell_length_c                   36.545(4)
_cell_angle_alpha                90
_cell_angle_beta                 94.488(4)
_cell_angle_gamma                90
_cell_volume                     4123.4(7)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9916
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      26.79
_cell_measurement_theta_min      2.23
_shelx_estimated_absorpt_T_max   0.720
_shelx_estimated_absorpt_T_min   0.474
_exptl_absorpt_coefficient_mu    3.511
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   ?
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.680
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       rod
_exptl_crystal_F_000             2064
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0981
_diffrn_reflns_av_unetI/netI     0.0618
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       46
_diffrn_reflns_limit_l_min       -46
_diffrn_reflns_number            69348
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         27.000
_diffrn_reflns_theta_min         2.236
_diffrn_ambient_temperature      120.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6668
_reflns_number_total             9000
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         0.956
_refine_diff_density_min         -0.819
_refine_diff_density_rms         0.145
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     471
_refine_ls_number_reflns         9000
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0658
_refine_ls_R_factor_gt           0.0359
_refine_ls_restrained_S_all      1.041
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
;
 w=1/[σ²(Fo²)+(0.0242P)²+1.2248P]
 where P=(Fo²+2Fc²)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0640
_refine_ls_wR_factor_ref         0.0699
_refine_special_details          
;
 ?
;
_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.a Ternary CH refined with riding coordinates:
 C1(H1), C6(H6)
2.b Secondary CH2 refined with riding coordinates:
 C1S(H1SA,H1SB), C2S(H2SA,H2SB)
2.c Aromatic/amide H refined with riding coordinates:
 C7(H7), C8(H8), C9(H9), C11(H11), C12(H12), C13(H13), C16(H16), C17(H17),
 C18(H18), C19(H19), C20(H20), C22(H22), C23(H23), C24(H24), C25(H25), C26(H26),
  C28(H28), C29(H29), C30(H30), C31(H31), C32(H32), C35(H35), C36(H36),
 C37(H37), C38(H38), C39(H39)
2.d Idealised Me refined as rotating group:
 C14(H14A,H14B,H14C), C33(H33A,H33B,H33C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
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_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Re1 Re 0.50570(2) 0.37227(2) 0.13819(2) 0.01459(5) Uani 1 1 d . . . . .
Cl1 Cl 0.48512(10) 0.47446(9) 0.19706(3) 0.0231(2) Uani 1 1 d . . . . .
Cl2 Cl 0.68447(11) 0.51077(9) 0.13581(3) 0.0244(3) Uani 1 1 d . . . . .
Cl3 Cl 0.36340(11) 0.54423(9) 0.11576(3) 0.0260(3) Uani 1 1 d . . . . .
P1 P 0.62351(11) 0.18757(10) 0.21370(3) 0.0162(2) Uani 1 1 d . . . . .
P2 P 0.54549(10) 0.36819(10) 0.07228(3) 0.0170(2) Uani 1 1 d . . . . .
O1 O 0.3442(3) 0.2914(2) 0.15398(7) 0.0192(6) Uani 1 1 d . . . . .
C1 C 0.6462(4) 0.2577(4) 0.17021(11) 0.0157(9) Uani 1 1 d . . . . .
H1 H 0.7349 0.2821 0.1669 0.019 Uiso 1 1 calc R . . . .
C2 C 0.5801(4) 0.2079(4) 0.13805(11) 0.0144(9) Uani 1 1 d . . . . .
C3 C 0.5636(4) 0.0829(4) 0.12287(11) 0.0163(9) Uani 1 1 d . . . . .
C4 C 0.4424(4) 0.0442(4) 0.10873(11) 0.0172(9) Uani 1 1 d . . . . .
C5 C 0.3373(4) 0.1278(4) 0.10628(10) 0.0172(9) Uani 1 1 d . . . . .
C6 C 0.3417(4) 0.2641(4) 0.11826(11) 0.0172(9) Uani 1 1 d . . . . .
H6 H 0.2794 0.3171 0.1033 0.021 Uiso 1 1 calc R . . . .
C7 C 0.2240(4) 0.0859(4) 0.09169(12) 0.0259(11) Uani 1 1 d . . . . .
H7 H 0.1557 0.1434 0.0889 0.031 Uiso 1 1 calc R . . . .
C8 C 0.2057(5) -0.0415(4) 0.08056(12) 0.0319(12) Uani 1 1 d . . . . .
H8 H 0.1253 -0.0694 0.0710 0.038 Uiso 1 1 calc R . . . .
C9 C 0.3031(5) -0.1230(4) 0.08359(12) 0.0334(12) Uani 1 1 d . . . . .
H9 H 0.2902 -0.2089 0.0766 0.040 Uiso 1 1 calc R . . . .
C10 C 0.4229(5) -0.0827(4) 0.09685(12) 0.0256(11) Uani 1 1 d . . . . .
C11 C 0.5273(5) -0.1661(4) 0.09870(13) 0.0371(13) Uani 1 1 d . . . . .
H11 H 0.5156 -0.2516 0.0913 0.045 Uiso 1 1 calc R . . . .
C12 C 0.6443(5) -0.1255(4) 0.11099(12) 0.0331(12) Uani 1 1 d . . . . .
H12 H 0.7135 -0.1819 0.1110 0.040 Uiso 1 1 calc R . . . .
C13 C 0.6630(4) -0.0017(4) 0.12358(11) 0.0233(10) Uani 1 1 d . . . . .
H13 H 0.7444 0.0249 0.1327 0.028 Uiso 1 1 calc R . . . .
C14 C 0.4622(4) 0.1688(4) 0.22153(11) 0.0187(9) Uani 1 1 d . . . . .
H14A H 0.4549 0.1159 0.2433 0.028 Uiso 1 1 calc GR . . . .
H14B H 0.4180 0.1283 0.2001 0.028 Uiso 1 1 calc GR . . . .
H14C H 0.4250 0.2519 0.2255 0.028 Uiso 1 1 calc GR . . . .
C15 C 0.6902(4) 0.0306(4) 0.21355(11) 0.0183(9) Uani 1 1 d . . . . .
C16 C 0.6118(4) -0.0739(4) 0.20782(11) 0.0221(10) Uani 1 1 d . . . . .
H16 H 0.5236 -0.0644 0.2081 0.027 Uiso 1 1 calc R . . . .
C17 C 0.6632(5) -0.1927(4) 0.20163(12) 0.0269(11) Uani 1 1 d . . . . .
H17 H 0.6100 -0.2638 0.1972 0.032 Uiso 1 1 calc R . . . .
C18 C 0.7898(5) -0.2062(4) 0.20197(13) 0.0343(12) Uani 1 1 d . . . . .
H18 H 0.8244 -0.2872 0.1977 0.041 Uiso 1 1 calc R . . . .
C19 C 0.8682(5) -0.1044(4) 0.20834(14) 0.0356(12) Uani 1 1 d . . . . .
H19 H 0.9564 -0.1158 0.2089 0.043 Uiso 1 1 calc R . . . .
C20 C 0.8194(4) 0.0151(4) 0.21392(12) 0.0281(11) Uani 1 1 d . . . . .
H20 H 0.8737 0.0856 0.2180 0.034 Uiso 1 1 calc R . . . .
C21 C 0.7012(4) 0.2809(4) 0.24976(11) 0.0172(9) Uani 1 1 d . . . . .
C22 C 0.6989(4) 0.2399(4) 0.28591(12) 0.0243(10) Uani 1 1 d . . . . .
H22 H 0.6658 0.1588 0.2908 0.029 Uiso 1 1 calc R . . . .
C23 C 0.7442(4) 0.3158(4) 0.31458(12) 0.0270(11) Uani 1 1 d . . . . .
H23 H 0.7414 0.2875 0.3392 0.032 Uiso 1 1 calc R . . . .
C24 C 0.7935(4) 0.4329(4) 0.30749(12) 0.0259(11) Uani 1 1 d . . . . .
H24 H 0.8236 0.4857 0.3273 0.031 Uiso 1 1 calc R . . . .
C25 C 0.7993(4) 0.4741(4) 0.27170(12) 0.0247(10) Uani 1 1 d . . . . .
H25 H 0.8353 0.5540 0.2671 0.030 Uiso 1 1 calc R . . . .
C26 C 0.7530(4) 0.3993(4) 0.24262(12) 0.0202(10) Uani 1 1 d . . . . .
H26 H 0.7562 0.4279 0.2181 0.024 Uiso 1 1 calc R . . . .
C27 C 0.6944(4) 0.2964(4) 0.06050(11) 0.0208(10) Uani 1 1 d . . . . .
C28 C 0.7870(4) 0.2617(5) 0.08674(12) 0.0290(11) Uani 1 1 d . . . . .
H28 H 0.7756 0.2750 0.1120 0.035 Uiso 1 1 calc R . . . .
C29 C 0.8968(5) 0.2075(6) 0.07663(14) 0.0483(16) Uani 1 1 d . . . . .
H29 H 0.9604 0.1833 0.0949 0.058 Uiso 1 1 calc R . . . .
C30 C 0.9142(5) 0.1885(6) 0.03976(15) 0.0508(16) Uani 1 1 d . . . . .
H30 H 0.9890 0.1500 0.0328 0.061 Uiso 1 1 calc R . . . .
C31 C 0.8231(5) 0.2253(5) 0.01335(14) 0.0395(13) Uani 1 1 d . . . . .
H31 H 0.8352 0.2133 -0.0119 0.047 Uiso 1 1 calc R . . . .
C32 C 0.7147(4) 0.2794(5) 0.02348(12) 0.0296(11) Uani 1 1 d . . . . .
H32 H 0.6524 0.3058 0.0051 0.036 Uiso 1 1 calc R . . . .
C33 C 0.5567(4) 0.5234(4) 0.05135(11) 0.0249(11) Uani 1 1 d . . . . .
H33A H 0.4760 0.5670 0.0516 0.037 Uiso 1 1 calc GR . . . .
H33B H 0.5784 0.5138 0.0259 0.037 Uiso 1 1 calc GR . . . .
H33C H 0.6217 0.5730 0.0652 0.037 Uiso 1 1 calc GR . . . .
C34 C 0.4301(4) 0.2900(4) 0.04128(11) 0.0187(9) Uani 1 1 d . . . . .
C35 C 0.4442(4) 0.1659(4) 0.02894(12) 0.0261(11) Uani 1 1 d . . . . .
H35 H 0.5173 0.1194 0.0369 0.031 Uiso 1 1 calc R . . . .
C36 C 0.3532(5) 0.1102(5) 0.00536(12) 0.0337(12) Uani 1 1 d . . . . .
H36 H 0.3647 0.0260 -0.0028 0.040 Uiso 1 1 calc R . . . .
C37 C 0.2467(5) 0.1748(5) -0.00643(13) 0.0393(13) Uani 1 1 d . . . . .
H37 H 0.1855 0.1361 -0.0230 0.047 Uiso 1 1 calc R . . . .
C38 C 0.2284(5) 0.2965(5) 0.00592(13) 0.0353(12) Uani 1 1 d . . . . .
H38 H 0.1538 0.3408 -0.0019 0.042 Uiso 1 1 calc R . . . .
C39 C 0.3191(4) 0.3541(4) 0.02971(12) 0.0254(10) Uani 1 1 d . . . . .
H39 H 0.3057 0.4375 0.0382 0.030 Uiso 1 1 calc R . . . .
Cl1S Cl 0.03325(19) -0.4681(2) 0.05205(5) 0.1081(8) Uani 1 1 d . . . . .
Cl2S Cl -0.02912(17) -0.27719(15) 0.10427(6) 0.0829(6) Uani 1 1 d . . . . .
C1S C 0.0133(6) -0.4347(5) 0.09780(16) 0.0583(17) Uani 1 1 d . . . . .
H1SA H 0.0924 -0.4527 0.1128 0.070 Uiso 1 1 calc R . . . .
H1SB H -0.0525 -0.4907 0.1064 0.070 Uiso 1 1 calc R . . . .
Cl3S Cl 0.95672(14) -0.23439(13) 0.32348(4) 0.0521(4) Uani 1 1 d . . . . .
Cl4S Cl 0.96815(13) 0.03370(12) 0.30620(4) 0.0445(3) Uani 1 1 d . . . . .
C2S C 0.8717(4) -0.0991(4) 0.30836(14) 0.0379(13) Uani 1 1 d . . . . .
H2SA H 0.8295 -0.1156 0.2837 0.045 Uiso 1 1 calc R . . . .
H2SB H 0.8060 -0.0817 0.3253 0.045 Uiso 1 1 calc R . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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
Re1 Cl1 2.4329(10) . ?
Re1 Cl2 2.4164(11) . ?
Re1 Cl3 2.4704(11) . ?
Re1 P2 2.4789(11) . ?
Re1 O1 2.051(3) . ?
Re1 C1 2.196(4) . ?
Re1 C2 1.912(4) . ?
Re1 C6 2.173(4) . ?
P1 C1 1.788(4) . ?
P1 C14 1.783(4) . ?
P1 C15 1.807(4) . ?
P1 C21 1.797(4) . ?
P2 C27 1.846(4) . ?
P2 C33 1.819(4) . ?
P2 C34 1.809(4) . ?
O1 C6 1.335(4) . ?
C1 C2 1.425(5) . ?
C2 C3 1.439(5) . ?
C3 C4 1.418(6) . ?
C3 C13 1.389(6) . ?
C4 C5 1.427(5) . ?
C4 C10 1.422(5) . ?
C5 C6 1.506(5) . ?
C5 C7 1.360(6) . ?
C7 C8 1.417(6) . ?
C8 C9 1.351(6) . ?
C9 C10 1.401(6) . ?
C10 C11 1.421(6) . ?
C11 C12 1.366(7) . ?
C12 C13 1.397(6) . ?
C15 C16 1.394(5) . ?
C15 C20 1.391(6) . ?
C16 C17 1.397(6) . ?
C17 C18 1.361(6) . ?
C18 C19 1.374(6) . ?
C19 C20 1.389(6) . ?
C21 C22 1.393(6) . ?
C21 C26 1.402(5) . ?
C22 C23 1.378(6) . ?
C23 C24 1.379(6) . ?
C24 C25 1.385(6) . ?
C25 C26 1.385(6) . ?
C27 C28 1.374(6) . ?
C27 C32 1.398(6) . ?
C28 C29 1.384(6) . ?
C29 C30 1.389(7) . ?
C30 C31 1.373(7) . ?
C31 C32 1.371(6) . ?
C34 C35 1.400(5) . ?
C34 C39 1.404(6) . ?
C35 C36 1.381(6) . ?
C36 C37 1.369(7) . ?
C37 C38 1.383(7) . ?
C38 C39 1.392(6) . ?
Cl1S C1S 1.738(6) . ?
Cl2S C1S 1.747(6) . ?
Cl3S C2S 1.761(5) . ?
Cl4S C2S 1.749(5) . ?

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
Cl1 Re1 Cl3 82.55(4) . . ?
Cl1 Re1 P2 154.32(3) . . ?
Cl2 Re1 Cl1 83.64(4) . . ?
Cl2 Re1 Cl3 90.63(4) . . ?
Cl2 Re1 P2 77.23(4) . . ?
Cl3 Re1 P2 80.72(4) . . ?
O1 Re1 Cl1 78.46(8) . . ?
O1 Re1 Cl2 161.75(8) . . ?
O1 Re1 Cl3 83.65(8) . . ?
O1 Re1 P2 118.60(8) . . ?
O1 Re1 C1 100.19(13) . . ?
O1 Re1 C6 36.71(12) . . ?
C1 Re1 Cl1 83.08(10) . . ?
C1 Re1 Cl2 80.94(11) . . ?
C1 Re1 Cl3 164.05(11) . . ?
C1 Re1 P2 110.22(10) . . ?
C2 Re1 Cl1 118.21(12) . . ?
C2 Re1 Cl2 102.72(11) . . ?
C2 Re1 Cl3 156.11(12) . . ?
C2 Re1 P2 83.02(12) . . ?
C2 Re1 O1 88.94(13) . . ?
C2 Re1 C1 39.83(15) . . ?
C2 Re1 C6 81.12(16) . . ?
C6 Re1 Cl1 113.81(10) . . ?
C6 Re1 Cl2 158.18(11) . . ?
C6 Re1 Cl3 79.39(11) . . ?
C6 Re1 P2 82.00(10) . . ?
C6 Re1 C1 112.92(15) . . ?
C1 P1 C15 107.30(18) . . ?
C1 P1 C21 109.67(19) . . ?
C14 P1 C1 112.92(19) . . ?
C14 P1 C15 106.60(19) . . ?
C14 P1 C21 109.98(19) . . ?
C21 P1 C15 110.29(19) . . ?
C27 P2 Re1 116.79(14) . . ?
C33 P2 Re1 114.51(14) . . ?
C33 P2 C27 100.7(2) . . ?
C34 P2 Re1 117.10(13) . . ?
C34 P2 C27 103.03(19) . . ?
C34 P2 C33 102.32(19) . . ?
C6 O1 Re1 76.6(2) . . ?
P1 C1 Re1 124.6(2) . . ?
C2 C1 Re1 59.3(2) . . ?
C2 C1 P1 119.1(3) . . ?
C1 C2 Re1 80.9(2) . . ?
C1 C2 C3 134.1(4) . . ?
C3 C2 Re1 142.9(3) . . ?
C4 C3 C2 119.1(4) . . ?
C13 C3 C2 120.9(4) . . ?
C13 C3 C4 119.9(4) . . ?
C3 C4 C5 122.5(4) . . ?
C3 C4 C10 119.5(4) . . ?
C10 C4 C5 118.0(4) . . ?
C4 C5 C6 124.6(4) . . ?
C7 C5 C4 119.8(4) . . ?
C7 C5 C6 115.6(4) . . ?
O1 C6 Re1 66.7(2) . . ?
O1 C6 C5 119.3(3) . . ?
C5 C6 Re1 127.4(3) . . ?
C5 C7 C8 121.4(4) . . ?
C9 C8 C7 119.7(4) . . ?
C8 C9 C10 120.9(4) . . ?
C9 C10 C4 120.1(4) . . ?
C9 C10 C11 121.5(4) . . ?
C11 C10 C4 118.4(4) . . ?
C12 C11 C10 121.2(4) . . ?
C11 C12 C13 120.5(4) . . ?
C3 C13 C12 120.5(4) . . ?
C16 C15 P1 119.7(3) . . ?
C20 C15 P1 120.0(3) . . ?
C20 C15 C16 119.6(4) . . ?
C15 C16 C17 119.8(4) . . ?
C18 C17 C16 119.9(4) . . ?
C17 C18 C19 120.9(4) . . ?
C18 C19 C20 120.4(5) . . ?
C19 C20 C15 119.4(4) . . ?
C22 C21 P1 118.9(3) . . ?
C22 C21 C26 119.4(4) . . ?
C26 C21 P1 121.4(3) . . ?
C23 C22 C21 120.6(4) . . ?
C22 C23 C24 119.9(4) . . ?
C23 C24 C25 120.4(4) . . ?
C24 C25 C26 120.4(4) . . ?
C25 C26 C21 119.4(4) . . ?
C28 C27 P2 122.4(3) . . ?
C28 C27 C32 118.9(4) . . ?
C32 C27 P2 118.7(3) . . ?
C27 C28 C29 120.4(4) . . ?
C28 C29 C30 120.0(5) . . ?
C31 C30 C29 119.9(5) . . ?
C32 C31 C30 119.9(5) . . ?
C31 C32 C27 120.9(4) . . ?
C35 C34 P2 123.0(3) . . ?
C35 C34 C39 117.8(4) . . ?
C39 C34 P2 119.2(3) . . ?
C36 C35 C34 120.9(5) . . ?
C37 C36 C35 120.8(5) . . ?
C36 C37 C38 119.8(5) . . ?
C37 C38 C39 120.1(5) . . ?
C38 C39 C34 120.6(4) . . ?
Cl1S C1S Cl2S 112.1(3) . . ?
Cl4S C2S Cl3S 112.0(3) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
