# 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_baiwei5
_database_code_depnum_ccdc_archive 'CCDC 2039486'
loop_
_audit_author_name
_audit_author_address
'Yan Zhou'
;Guangxi University for Nationalities
China
;
_audit_update_record             
;
2020-10-26 deposited with the CCDC.	2021-01-12 downloaded from the CCDC.
;
_audit_creation_date             2020-10-23
_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         'C36 H31 Cl3 F3 O P2 Re, C0.5 H Cl'
_chemical_formula_sum            'C36.50 H32 Cl4 F3 O P2 Re'
_chemical_formula_weight         933.56
_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'
F F 0.0171 0.0103 '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           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   19.8031(11)
_cell_length_b                   22.2110(12)
_cell_length_c                   17.0555(9)
_cell_angle_alpha                90
_cell_angle_beta                 96.387(2)
_cell_angle_gamma                90
_cell_volume                     7455.2(7)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    7613
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      22.56
_cell_measurement_theta_min      2.67
_shelx_estimated_absorpt_T_max   0.710
_shelx_estimated_absorpt_T_min   0.609
_exptl_absorpt_coefficient_mu    3.676
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   ?
_exptl_crystal_colour            red
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.663
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3672
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.1
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0891
_diffrn_reflns_av_unetI/netI     0.0981
_diffrn_reflns_Laue_measured_fraction_full 0.978
_diffrn_reflns_Laue_measured_fraction_max 0.976
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            35394
_diffrn_reflns_point_group_measured_fraction_full 0.978
_diffrn_reflns_point_group_measured_fraction_max 0.976
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         26.999
_diffrn_reflns_theta_min         2.403
_diffrn_ambient_temperature      173.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.978
_diffrn_measured_fraction_theta_max 0.976
_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                5300
_reflns_number_total             7929
_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    'olex2.solve (Bourhis et al., 2015)'
_refine_diff_density_max         2.477
_refine_diff_density_min         -1.593
_refine_diff_density_rms         0.174
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.010
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     463
_refine_ls_number_reflns         7929
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.1042
_refine_ls_R_factor_gt           0.0556
_refine_ls_restrained_S_all      1.010
_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)+(0.0636P)²]
 where P=(Fo²+2Fc²)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1157
_refine_ls_wR_factor_ref         0.1278
_refine_special_details          
;
 ?
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H,H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 F2A-F1A
 2 with sigma of 0.02
 F2-F1
 2 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(F1A) = Uanis(F1)
Uanis(F2) = Uanis(F2A)
Uanis(F3) = Uanis(F3A)
4. Others
 Sof(F1)=Sof(F2A)=Sof(F3A)=1-FVAR(1)
 Sof(F2)=Sof(F3)=Sof(F1A)=FVAR(1)
 Fixed Sof: Cl1S(0.5) C1S(0.5) H1SA(0.32) H1SB(0.32) H1SC(0.18) H1SD(0.18)
 Cl2S(0.32) Cl3S(0.18)
5.a Ternary CH refined with riding coordinates:
 C1(H1)
5.b Secondary CH2 refined with riding coordinates:
 C1S(H1SA,H1SB), C1S(H1SC,H1SD)
5.c Aromatic/amide H refined with riding coordinates:
 C5(H5), C6(H6), C8(H8), C9(H9), C13(H13), C14(H14), C15(H15), C16(H16),
 C17(H17), C19(H19), C20(H20), C21(H21), C22(H22), C23(H23), C26(H26), C27(H27),
  C28(H28), C29(H29), C30(H30), C32(H32), C33(H33), C34(H34), C35(H35), C36(H36)
5.d Idealised Me refined as rotating group:
 C11(H11A,H11B,H11C), C24(H24A,H24B,H24C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_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 0.73361(2) 0.60310(2) 0.51052(2) 0.02585(11) Uani 1 1 d . . . . .
Cl1 Cl 0.68558(10) 0.65896(8) 0.61747(11) 0.0345(4) Uani 1 1 d . . . . .
Cl2 Cl 0.74088(9) 0.52395(8) 0.60851(11) 0.0321(4) Uani 1 1 d . . . . .
Cl3 Cl 0.84378(9) 0.64512(8) 0.56538(11) 0.0350(4) Uani 1 1 d . . . . .
P1 P 0.61953(10) 0.56726(9) 0.47599(12) 0.0291(4) Uani 1 1 d . . . . .
P2 P 0.85856(10) 0.50606(8) 0.44821(12) 0.0283(4) Uani 1 1 d . . . . .
O1 O 0.7192(3) 0.6869(2) 0.4664(3) 0.0340(12) Uani 1 1 d . . . . .
C1 C 0.7722(3) 0.5312(3) 0.4404(4) 0.0273(16) Uani 1 1 d . . . . .
H1 H 0.7385 0.4981 0.4274 0.033 Uiso 1 1 calc R . . . .
C2 C 0.7515(4) 0.5874(3) 0.4045(5) 0.0281(17) Uani 1 1 d . . . . .
C3 C 0.7479(3) 0.6178(3) 0.3309(4) 0.0249(16) Uani 1 1 d . . . . .
C4 C 0.7345(4) 0.6811(3) 0.3282(4) 0.0322(18) Uani 1 1 d . . . . .
C5 C 0.7227(4) 0.7112(3) 0.3994(5) 0.039(2) Uani 1 1 d . . . . .
H5 H 0.7168 0.7536 0.3965 0.047 Uiso 1 1 calc R . . . .
C6 C 0.7311(4) 0.7123(3) 0.2585(5) 0.0356(19) Uani 1 1 d . . . . .
H6 H 0.7230 0.7544 0.2578 0.043 Uiso 1 1 calc R . . . .
C7 C 0.7395(4) 0.6825(3) 0.1896(5) 0.0381(19) Uani 1 1 d . . . . .
C8 C 0.7514(4) 0.6205(3) 0.1908(4) 0.0323(18) Uani 1 1 d . . . . .
H8 H 0.7559 0.5999 0.1429 0.039 Uiso 1 1 calc R . . . .
C9 C 0.7568(4) 0.5889(3) 0.2606(5) 0.0320(18) Uani 1 1 d . . . . .
H9 H 0.7667 0.5470 0.2607 0.038 Uiso 1 1 calc R . . . .
C10 C 0.7371(6) 0.7165(4) 0.1147(5) 0.054(3) Uani 1 1 d . . . . .
C11 C 0.9156(4) 0.5668(3) 0.4291(5) 0.0368(19) Uani 1 1 d . . . . .
H11A H 0.9600 0.5501 0.4205 0.055 Uiso 1 1 calc GR . . . .
H11B H 0.9209 0.5941 0.4745 0.055 Uiso 1 1 calc GR . . . .
H11C H 0.8967 0.5889 0.3820 0.055 Uiso 1 1 calc GR . . . .
C12 C 0.8686(4) 0.4488(3) 0.3769(4) 0.0269(16) Uani 1 1 d . . . . .
C13 C 0.8168(4) 0.4310(3) 0.3209(4) 0.0293(17) Uani 1 1 d . . . . .
H13 H 0.7733 0.4491 0.3195 0.035 Uiso 1 1 calc R . . . .
C14 C 0.8282(4) 0.3866(3) 0.2666(5) 0.0373(19) Uani 1 1 d . . . . .
H14 H 0.7923 0.3749 0.2279 0.045 Uiso 1 1 calc R . . . .
C15 C 0.8911(4) 0.3591(4) 0.2680(5) 0.042(2) Uani 1 1 d . . . . .
H15 H 0.8988 0.3285 0.2311 0.051 Uiso 1 1 calc R . . . .
C16 C 0.9427(4) 0.3776(4) 0.3249(5) 0.043(2) Uani 1 1 d . . . . .
H16 H 0.9860 0.3588 0.3275 0.051 Uiso 1 1 calc R . . . .
C17 C 0.9323(4) 0.4226(4) 0.3773(4) 0.0353(19) Uani 1 1 d . . . . .
H17 H 0.9688 0.4360 0.4140 0.042 Uiso 1 1 calc R . . . .
C18 C 0.8860(3) 0.4710(4) 0.5426(5) 0.0330(18) Uani 1 1 d . . . . .
C19 C 0.8837(4) 0.4086(4) 0.5484(5) 0.040(2) Uani 1 1 d . . . . .
H19 H 0.8685 0.3848 0.5036 0.049 Uiso 1 1 calc R . . . .
C20 C 0.9040(5) 0.3817(5) 0.6202(5) 0.053(2) Uani 1 1 d . . . . .
H20 H 0.9041 0.3391 0.6246 0.064 Uiso 1 1 calc R . . . .
C21 C 0.9243(4) 0.4169(5) 0.6864(5) 0.053(3) Uani 1 1 d . . . . .
H21 H 0.9376 0.3982 0.7358 0.064 Uiso 1 1 calc R . . . .
C22 C 0.9251(4) 0.4771(5) 0.6803(5) 0.048(2) Uani 1 1 d . . . . .
H22 H 0.9385 0.5008 0.7257 0.058 Uiso 1 1 calc R . . . .
C23 C 0.9058(4) 0.5057(4) 0.6063(5) 0.043(2) Uani 1 1 d . . . . .
H23 H 0.9070 0.5483 0.6018 0.052 Uiso 1 1 calc R . . . .
C24 C 0.5752(4) 0.5492(4) 0.5595(5) 0.040(2) Uani 1 1 d . . . . .
H24A H 0.5968 0.5144 0.5873 0.059 Uiso 1 1 calc GR . . . .
H24B H 0.5277 0.5396 0.5414 0.059 Uiso 1 1 calc GR . . . .
H24C H 0.5769 0.5838 0.5954 0.059 Uiso 1 1 calc GR . . . .
C25 C 0.5591(4) 0.6184(4) 0.4208(5) 0.042(2) Uani 1 1 d . . . . .
C26 C 0.5041(4) 0.5970(4) 0.3713(5) 0.045(2) Uani 1 1 d . . . . .
H26 H 0.4994 0.5550 0.3618 0.055 Uiso 1 1 calc R . . . .
C27 C 0.4555(5) 0.6369(5) 0.3352(6) 0.058(3) Uani 1 1 d . . . . .
H27 H 0.4185 0.6224 0.3001 0.069 Uiso 1 1 calc R . . . .
C28 C 0.4624(5) 0.6978(5) 0.3516(6) 0.064(3) Uani 1 1 d . . . . .
H28 H 0.4291 0.7251 0.3285 0.077 Uiso 1 1 calc R . . . .
C29 C 0.5168(5) 0.7194(4) 0.4009(7) 0.070(3) Uani 1 1 d . . . . .
H29 H 0.5214 0.7615 0.4101 0.084 Uiso 1 1 calc R . . . .
C30 C 0.5647(5) 0.6801(4) 0.4370(6) 0.060(3) Uani 1 1 d . . . . .
H30 H 0.6013 0.6949 0.4726 0.072 Uiso 1 1 calc R . . . .
C31 C 0.6164(4) 0.4985(3) 0.4165(5) 0.0336(18) Uani 1 1 d . . . . .
C32 C 0.6207(4) 0.5021(4) 0.3368(5) 0.0379(19) Uani 1 1 d . . . . .
H32 H 0.6189 0.5403 0.3114 0.045 Uiso 1 1 calc R . . . .
C33 C 0.6276(5) 0.4499(4) 0.2929(6) 0.053(2) Uani 1 1 d . . . . .
H33 H 0.6310 0.4526 0.2379 0.064 Uiso 1 1 calc R . . . .
C34 C 0.6296(5) 0.3953(4) 0.3289(6) 0.058(3) Uani 1 1 d . . . . .
H34 H 0.6334 0.3598 0.2987 0.070 Uiso 1 1 calc R . . . .
C35 C 0.6262(5) 0.3911(4) 0.4088(7) 0.060(3) Uani 1 1 d . . . . .
H35 H 0.6290 0.3529 0.4339 0.072 Uiso 1 1 calc R . . . .
C36 C 0.6187(4) 0.4424(3) 0.4525(5) 0.041(2) Uani 1 1 d . . . . .
H36 H 0.6151 0.4393 0.5075 0.049 Uiso 1 1 calc R . . . .
F1 F 0.7025(8) 0.7689(6) 0.1143(9) 0.088(5) Uani 0.696(13) 1 d D . P A 1
F2 F 0.6863(19) 0.6935(9) 0.0575(13) 0.088(4) Uani 0.304(13) 1 d D . P A 1
F3 F 0.7863(17) 0.7131(16) 0.082(2) 0.093(4) Uani 0.304(13) 1 d . . P A 1
F1A F 0.685(2) 0.7465(14) 0.097(2) 0.088(5) Uani 0.304(13) 1 d D . P A 2
F2A F 0.7352(8) 0.6821(5) 0.0497(5) 0.088(4) Uani 0.696(13) 1 d D . P A 2
F3A F 0.7979(6) 0.7460(6) 0.1090(8) 0.093(4) Uani 0.696(13) 1 d . . P A 2
Cl1S Cl 0.5899(3) 0.7854(3) 0.7042(3) 0.0720(17) Uani 0.5 1 d . . P C .
C1S C 0.5627(8) 0.7813(9) 0.6218(12) 0.066(7) Uani 0.5 1 d . . P . .
H1SA H 0.5995 0.7719 0.5889 0.080 Uiso 0.32 1 calc R . P B 1
H1SB H 0.5417 0.8200 0.6038 0.080 Uiso 0.32 1 calc R . P B 1
H1SC H 0.5932 0.7534 0.5972 0.080 Uiso 0.18 1 calc R . P B 2
H1SD H 0.5697 0.8215 0.5990 0.080 Uiso 0.18 1 calc R . P B 2
Cl2S Cl 0.4927(5) 0.7156(5) 0.6120(7) 0.086(4) Uani 0.32 1 d . . P C 1
Cl3S Cl 0.4816(10) 0.7604(11) 0.5860(13) 0.101(7) Uani 0.18 1 d . . P C 2


_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 2.4813(18) . ?
Re1 Cl2 2.4189(18) . ?
Re1 Cl3 2.4602(18) . ?
Re1 P1 2.4058(19) . ?
Re1 O1 2.015(5) . ?
Re1 C1 2.183(7) . ?
Re1 C2 1.914(8) . ?
P1 C24 1.800(8) . ?
P1 C25 1.833(8) . ?
P1 C31 1.830(8) . ?
P2 C1 1.791(7) . ?
P2 C11 1.811(7) . ?
P2 C12 1.787(7) . ?
P2 C18 1.816(8) . ?
O1 C5 1.273(9) . ?
C1 C2 1.431(10) . ?
C2 C3 1.419(10) . ?
C3 C4 1.431(9) . ?
C3 C9 1.388(10) . ?
C4 C5 1.428(11) . ?
C4 C6 1.371(10) . ?
C6 C7 1.375(11) . ?
C7 C8 1.396(10) . ?
C7 C10 1.479(12) . ?
C8 C9 1.377(10) . ?
C10 F1 1.351(17) . ?
C10 F2 1.42(3) . ?
C10 F3 1.17(3) . ?
C10 F1A 1.23(4) . ?
C10 F2A 1.342(13) . ?
C10 F3A 1.385(16) . ?
C12 C13 1.379(9) . ?
C12 C17 1.388(10) . ?
C13 C14 1.388(10) . ?
C14 C15 1.386(11) . ?
C15 C16 1.391(11) . ?
C16 C17 1.372(11) . ?
C18 C19 1.390(10) . ?
C18 C23 1.355(10) . ?
C19 C20 1.381(11) . ?
C20 C21 1.394(13) . ?
C21 C22 1.341(12) . ?
C22 C23 1.426(11) . ?
C25 C26 1.384(12) . ?
C25 C30 1.402(11) . ?
C26 C27 1.399(12) . ?
C27 C28 1.386(13) . ?
C28 C29 1.375(13) . ?
C29 C30 1.383(12) . ?
C31 C32 1.375(10) . ?
C31 C36 1.389(10) . ?
C32 C33 1.395(11) . ?
C33 C34 1.359(12) . ?
C34 C35 1.375(13) . ?
C35 C36 1.378(11) . ?
Cl1S C1S 1.45(2) . ?
C1S Cl2S 2.01(2) . ?
C1S Cl3S 1.72(3) . ?

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
Cl2 Re1 Cl1 81.59(6) . . ?
Cl2 Re1 Cl3 91.77(6) . . ?
Cl3 Re1 Cl1 85.81(6) . . ?
P1 Re1 Cl1 85.37(6) . . ?
P1 Re1 Cl2 84.88(6) . . ?
P1 Re1 Cl3 170.93(7) . . ?
O1 Re1 Cl1 76.26(15) . . ?
O1 Re1 Cl2 157.50(15) . . ?
O1 Re1 Cl3 82.80(15) . . ?
O1 Re1 P1 97.11(15) . . ?
O1 Re1 C1 121.0(2) . . ?
C1 Re1 Cl1 162.62(19) . . ?
C1 Re1 Cl2 81.32(19) . . ?
C1 Re1 Cl3 97.84(19) . . ?
C1 Re1 P1 89.99(19) . . ?
C2 Re1 Cl1 155.8(2) . . ?
C2 Re1 Cl2 121.2(2) . . ?
C2 Re1 Cl3 100.3(2) . . ?
C2 Re1 P1 88.6(2) . . ?
C2 Re1 O1 81.3(2) . . ?
C2 Re1 C1 40.2(3) . . ?
C24 P1 Re1 114.0(3) . . ?
C24 P1 C25 101.3(4) . . ?
C24 P1 C31 105.3(4) . . ?
C25 P1 Re1 117.6(3) . . ?
C31 P1 Re1 112.6(3) . . ?
C31 P1 C25 104.6(4) . . ?
C1 P2 C11 111.4(3) . . ?
C1 P2 C18 112.9(3) . . ?
C11 P2 C18 110.4(4) . . ?
C12 P2 C1 110.5(3) . . ?
C12 P2 C11 106.8(3) . . ?
C12 P2 C18 104.6(3) . . ?
C5 O1 Re1 135.0(5) . . ?
P2 C1 Re1 125.2(4) . . ?
C2 C1 Re1 59.7(4) . . ?
C2 C1 P2 121.9(5) . . ?
C1 C2 Re1 80.1(5) . . ?
C3 C2 Re1 138.9(5) . . ?
C3 C2 C1 141.0(7) . . ?
C2 C3 C4 119.1(6) . . ?
C9 C3 C2 123.0(6) . . ?
C9 C3 C4 117.9(7) . . ?
C5 C4 C3 118.7(7) . . ?
C6 C4 C3 121.0(7) . . ?
C6 C4 C5 120.4(7) . . ?
O1 C5 C4 126.6(7) . . ?
C4 C6 C7 120.0(7) . . ?
C6 C7 C8 119.8(7) . . ?
C6 C7 C10 119.8(7) . . ?
C8 C7 C10 120.4(8) . . ?
C9 C8 C7 120.9(7) . . ?
C8 C9 C3 120.3(7) . . ?
F1 C10 C7 114.3(10) . . ?
F1 C10 F2 89.2(13) . . ?
F2 C10 C7 111.3(13) . . ?
F3 C10 C7 115.1(17) . . ?
F3 C10 F1 119.9(19) . . ?
F3 C10 F2 103(2) . . ?
F1A C10 C7 116(2) . . ?
F1A C10 F2A 99.3(18) . . ?
F1A C10 F3A 116(2) . . ?
F2A C10 C7 114.7(9) . . ?
F2A C10 F3A 99.0(10) . . ?
F3A C10 C7 110.9(9) . . ?
C13 C12 P2 123.0(5) . . ?
C13 C12 C17 119.3(7) . . ?
C17 C12 P2 117.7(6) . . ?
C12 C13 C14 120.2(7) . . ?
C15 C14 C13 120.9(8) . . ?
C14 C15 C16 118.1(8) . . ?
C17 C16 C15 121.2(8) . . ?
C16 C17 C12 120.3(7) . . ?
C19 C18 P2 118.8(6) . . ?
C23 C18 P2 119.9(6) . . ?
C23 C18 C19 121.3(8) . . ?
C20 C19 C18 119.0(8) . . ?
C19 C20 C21 120.4(9) . . ?
C22 C21 C20 120.0(9) . . ?
C21 C22 C23 120.6(8) . . ?
C18 C23 C22 118.7(8) . . ?
C26 C25 P1 121.7(6) . . ?
C26 C25 C30 119.7(8) . . ?
C30 C25 P1 118.1(7) . . ?
C25 C26 C27 120.5(8) . . ?
C28 C27 C26 118.7(9) . . ?
C29 C28 C27 121.2(9) . . ?
C28 C29 C30 120.3(9) . . ?
C29 C30 C25 119.6(9) . . ?
C32 C31 P1 119.8(6) . . ?
C32 C31 C36 119.2(7) . . ?
C36 C31 P1 120.4(6) . . ?
C31 C32 C33 120.1(8) . . ?
C34 C33 C32 120.0(9) . . ?
C33 C34 C35 120.4(9) . . ?
C34 C35 C36 120.0(9) . . ?
C35 C36 C31 120.2(8) . . ?
Cl1S C1S Cl2S 107.8(10) . . ?
Cl1S C1S Cl3S 126.4(13) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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. 
# 
#######################################################################

data_mo_20julybx_0m_pl
_database_code_depnum_ccdc_archive 'CCDC 2039487'
loop_
_audit_author_name
_audit_author_address
'Yan Zhou'
;Guangxi University for Nationalities
China
;
_audit_update_record             
;
2020-10-20 deposited with the CCDC.	2021-01-12 downloaded from the CCDC.
;
_audit_creation_date             2020-07-22
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C36 H34 Cl3 O P2 Re'
_chemical_formula_sum            'C36 H34 Cl3 O P2 Re'
_chemical_formula_weight         837.12
_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'

_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_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x, y+1/2, -z+1/2'
3 '-x, -y, -z'
4 'x, -y-1/2, z-1/2'

_cell_length_a                   17.1481(6)
_cell_length_b                   11.9633(7)
_cell_length_c                   17.0822(6)
_cell_angle_alpha                90.00
_cell_angle_beta                 108.290(4)
_cell_angle_gamma                90.00
_cell_volume                     3327.3(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9865
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.561
_cell_measurement_theta_min      2.967
_exptl_absorpt_coefficient_mu    4.018
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.4730
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            red
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.671
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1656
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.12
_exptl_special_details           
;
 ? 
;
_diffrn_reflns_av_R_equivalents  0.0422
_diffrn_reflns_av_unetI/netI     0.0420
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            22199
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         27.00
_diffrn_reflns_theta_min         2.51
_diffrn_ambient_temperature      173.15
_diffrn_detector                 'Bruker APEX2 area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CCD area detector'
_diffrn_measured_fraction_theta_full 0.972
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker APEX2 microsource'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_type              'Incoatec I\ms'
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_reflns_number_gt                3246
_reflns_number_total             7023
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       'SAINT V8.40A (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40A (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'olex2.solve (Bourhis et al., 2015)'
_refine_diff_density_max         0.419
_refine_diff_density_min         -0.508
_refine_diff_density_rms         0.081
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     391
_refine_ls_number_reflns         7023
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0387
_refine_ls_R_factor_gt           0.0303
_refine_ls_restrained_S_all      1.023
_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)+(0.0296P)²+4.3465P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0664
_refine_ls_wR_factor_ref         0.0693
_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C1(H1)
2.b Aromatic/amide H refined with riding coordinates:
 C7(H7), C8(H8), C9(H9), C10(H10), C12(H12), C13(H13), C14(H14), C15(H15),
 C16(H16), C18(H18), C19(H19), C20(H20), C21(H21), C22(H22), C26(H26), C27(H27),
  C28(H28), C29(H29), C30(H30), C32(H32), C33(H33), C34(H34), C35(H35), C36(H36)
2.c Idealised Me refined as rotating group:
 C6(H6A,H6B,H6C), C23(H23A,H23B,H23C), C24(H24A,H24B,H24C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   difmap
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_calc_flag
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_refinement_flags_posn
Re1 Re 0.288590(11) -0.065533(15) 0.300868(13) 0.01727(8) Uani 1 d . . .
Cl1 Cl 0.33509(8) -0.09088(12) 0.45147(9) 0.0293(3) Uani 1 d . . .
Cl2 Cl 0.30617(8) -0.26558(11) 0.28844(10) 0.0274(3) Uani 1 d . . .
Cl3 Cl 0.15351(8) -0.10389(12) 0.31374(9) 0.0268(3) Uani 1 d . . .
P1 P 0.25694(8) 0.12188(12) 0.33014(9) 0.0201(3) Uani 1 d . . .
P2 P 0.21473(7) -0.14709(11) 0.08828(9) 0.0197(3) Uani 1 d . . .
O1 O 0.4152(2) -0.0542(3) 0.3320(2) 0.0198(8) Uani 1 d . . .
C1 C 0.2209(3) -0.0486(4) 0.1683(3) 0.0150(9) Uani 1 d . . .
H1 H 0.1745 0.0060 0.1555 0.018 Uiso 1 calc . . R
C2 C 0.3002(3) 0.0003(4) 0.2044(3) 0.0188(10) Uani 1 d . . .
C3 C 0.3602(3) 0.0564(4) 0.1770(4) 0.0206(11) Uani 1 d . . .
C4 C 0.4430(3) 0.0582(4) 0.2283(3) 0.0203(11) Uani 1 d . . .
C5 C 0.4669(3) -0.0073(4) 0.3039(4) 0.0211(11) Uani 1 d . . .
C6 C 0.5550(3) -0.0222(5) 0.3524(4) 0.0310(13) Uani 1 d . . .
H6A H 0.5805 0.0511 0.3682 0.046 Uiso 1 calc . . GR
H6B H 0.5832 -0.0617 0.3187 0.046 Uiso 1 calc . . GR
H6C H 0.5593 -0.0659 0.4021 0.046 Uiso 1 calc . . GR
C7 C 0.3388(3) 0.1113(5) 0.1015(4) 0.0253(11) Uani 1 d . . .
H7 H 0.2839 0.1076 0.0656 0.030 Uiso 1 calc . . R
C8 C 0.3969(4) 0.1709(5) 0.0785(4) 0.0291(12) Uani 1 d . . .
H8 H 0.3817 0.2077 0.0267 0.035 Uiso 1 calc . . R
C9 C 0.4780(3) 0.1777(5) 0.1308(4) 0.0307(13) Uani 1 d . . .
H9 H 0.5170 0.2217 0.1155 0.037 Uiso 1 calc . . R
C10 C 0.5008(3) 0.1207(5) 0.2041(4) 0.0249(11) Uani 1 d . . .
H10 H 0.5563 0.1235 0.2389 0.030 Uiso 1 calc . . R
C11 C 0.1799(3) 0.1837(4) 0.2410(4) 0.0232(11) Uani 1 d . . .
C12 C 0.2028(4) 0.2341(5) 0.1790(4) 0.0312(13) Uani 1 d . . .
H12 H 0.2593 0.2472 0.1861 0.037 Uiso 1 calc . . R
C13 C 0.1435(4) 0.2658(6) 0.1059(5) 0.0416(16) Uani 1 d . . .
H13 H 0.1602 0.2983 0.0629 0.050 Uiso 1 calc . . R
C14 C 0.0622(4) 0.2510(6) 0.0951(5) 0.0461(18) Uani 1 d . . .
H14 H 0.0222 0.2737 0.0453 0.055 Uiso 1 calc . . R
C15 C 0.0386(4) 0.2026(6) 0.1572(5) 0.0493(19) Uani 1 d . . .
H15 H -0.0181 0.1924 0.1502 0.059 Uiso 1 calc . . R
C16 C 0.0962(3) 0.1687(6) 0.2294(4) 0.0361(15) Uani 1 d . . .
H16 H 0.0790 0.1350 0.2716 0.043 Uiso 1 calc . . R
C17 C 0.3405(3) 0.2243(4) 0.3587(4) 0.0229(11) Uani 1 d . . .
C18 C 0.3257(4) 0.3380(5) 0.3421(4) 0.0331(14) Uani 1 d . . .
H18 H 0.2719 0.3631 0.3127 0.040 Uiso 1 calc . . R
C19 C 0.3891(4) 0.4141(5) 0.3682(5) 0.0375(15) Uani 1 d . . .
H19 H 0.3786 0.4914 0.3569 0.045 Uiso 1 calc . . R
C20 C 0.4680(4) 0.3784(5) 0.4110(5) 0.0362(15) Uani 1 d . . .
H20 H 0.5116 0.4311 0.4279 0.043 Uiso 1 calc . . R
C21 C 0.4835(3) 0.2666(5) 0.4290(4) 0.0299(13) Uani 1 d . . .
H21 H 0.5374 0.2424 0.4587 0.036 Uiso 1 calc . . R
C22 C 0.4194(3) 0.1890(4) 0.4034(3) 0.0229(11) Uani 1 d . . .
H22 H 0.4297 0.1121 0.4166 0.027 Uiso 1 calc . . R
C23 C 0.2143(4) 0.1394(5) 0.4144(4) 0.0316(13) Uani 1 d . . .
H23A H 0.1660 0.0914 0.4051 0.047 Uiso 1 calc . . GR
H23B H 0.1984 0.2177 0.4170 0.047 Uiso 1 calc . . GR
H23C H 0.2557 0.1187 0.4665 0.047 Uiso 1 calc . . GR
C24 C 0.3153(3) -0.1948(5) 0.0936(4) 0.0277(12) Uani 1 d . . .
H24A H 0.3108 -0.2516 0.0511 0.042 Uiso 1 calc . . GR
H24B H 0.3422 -0.2273 0.1481 0.042 Uiso 1 calc . . GR
H24C H 0.3478 -0.1317 0.0846 0.042 Uiso 1 calc . . GR
C25 C 0.1521(3) -0.2661(5) 0.0895(4) 0.0230(11) Uani 1 d . . .
C26 C 0.1042(4) -0.2661(5) 0.1423(4) 0.0299(13) Uani 1 d . . .
H26 H 0.1032 -0.2025 0.1753 0.036 Uiso 1 calc . . R
C27 C 0.0583(4) -0.3604(6) 0.1459(5) 0.0407(16) Uani 1 d . . .
H27 H 0.0249 -0.3612 0.1811 0.049 Uiso 1 calc . . R
C28 C 0.0609(5) -0.4515(6) 0.0994(5) 0.0441(17) Uani 1 d . . .
H28 H 0.0306 -0.5164 0.1036 0.053 Uiso 1 calc . . R
C29 C 0.1068(5) -0.4513(5) 0.0462(5) 0.0454(18) Uani 1 d . . .
H29 H 0.1067 -0.5148 0.0128 0.054 Uiso 1 calc . . R
C30 C 0.1532(4) -0.3581(5) 0.0415(4) 0.0356(14) Uani 1 d . . .
H30 H 0.1855 -0.3578 0.0054 0.043 Uiso 1 calc . . R
C31 C 0.1720(3) -0.0780(4) -0.0101(4) 0.0222(11) Uani 1 d . . .
C32 C 0.1970(4) -0.1070(5) -0.0769(4) 0.0284(12) Uani 1 d . . .
H32 H 0.2364 -0.1646 -0.0717 0.034 Uiso 1 calc . . R
C33 C 0.1645(4) -0.0518(6) -0.1516(4) 0.0374(15) Uani 1 d . . .
H33 H 0.1825 -0.0717 -0.1970 0.045 Uiso 1 calc . . R
C34 C 0.1071(5) 0.0307(6) -0.1610(5) 0.0432(16) Uani 1 d . . .
H34 H 0.0855 0.0682 -0.2123 0.052 Uiso 1 calc . . R
C35 C 0.0808(5) 0.0588(5) -0.0944(5) 0.0434(17) Uani 1 d . . .
H35 H 0.0407 0.1157 -0.1004 0.052 Uiso 1 calc . . R
C36 C 0.1123(4) 0.0050(5) -0.0197(4) 0.0340(14) Uani 1 d . . .
H36 H 0.0934 0.0243 0.0252 0.041 Uiso 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 2.4614(14) . ?
Re1 Cl2 2.4297(13) . ?
Re1 Cl3 2.4380(12) . ?
Re1 P1 2.3963(14) . ?
Re1 O1 2.071(3) . ?
Re1 C1 2.205(5) . ?
Re1 C2 1.891(5) . ?
P1 C11 1.830(6) . ?
P1 C17 1.832(5) . ?
P1 C23 1.818(6) . ?
P2 C1 1.783(5) . ?
P2 C24 1.791(5) . ?
P2 C25 1.787(6) . ?
P2 C31 1.808(6) . ?
O1 C5 1.264(6) . ?
C1 C2 1.429(6) . ?
C2 C3 1.425(7) . ?
C3 C4 1.416(7) . ?
C3 C7 1.390(8) . ?
C4 C5 1.455(8) . ?
C4 C10 1.404(7) . ?
C5 C6 1.488(7) . ?
C7 C8 1.379(7) . ?
C8 C9 1.400(8) . ?
C9 C10 1.371(8) . ?
C11 C12 1.378(8) . ?
C11 C16 1.398(7) . ?
C12 C13 1.393(9) . ?
C13 C14 1.360(10) . ?
C14 C15 1.376(11) . ?
C15 C16 1.378(10) . ?
C17 C18 1.397(8) . ?
C17 C22 1.393(7) . ?
C18 C19 1.380(8) . ?
C19 C20 1.389(10) . ?
C20 C21 1.378(9) . ?
C21 C22 1.400(7) . ?
C25 C26 1.397(8) . ?
C25 C30 1.376(8) . ?
C26 C27 1.388(9) . ?
C27 C28 1.359(10) . ?
C28 C29 1.375(10) . ?
C29 C30 1.386(9) . ?
C31 C32 1.384(8) . ?
C31 C36 1.399(7) . ?
C32 C33 1.388(9) . ?
C33 C34 1.367(10) . ?
C34 C35 1.391(11) . ?
C35 C36 1.379(10) . ?

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
Cl2 Re1 Cl1 87.80(5) . . ?
Cl2 Re1 Cl3 88.28(5) . . ?
Cl3 Re1 Cl1 83.56(5) . . ?
P1 Re1 Cl1 85.26(5) . . ?
P1 Re1 Cl2 169.20(5) . . ?
P1 Re1 Cl3 82.73(4) . . ?
O1 Re1 Cl1 76.71(11) . . ?
O1 Re1 Cl2 86.46(10) . . ?
O1 Re1 Cl3 159.75(11) . . ?
O1 Re1 P1 99.96(10) . . ?
O1 Re1 C1 115.40(16) . . ?
C1 Re1 Cl1 167.88(13) . . ?
C1 Re1 Cl2 92.32(13) . . ?
C1 Re1 Cl3 84.32(13) . . ?
C1 Re1 P1 92.73(13) . . ?
C2 Re1 Cl1 150.85(16) . . ?
C2 Re1 Cl2 106.49(16) . . ?
C2 Re1 Cl3 121.28(15) . . ?
C2 Re1 P1 83.40(16) . . ?
C2 Re1 O1 78.94(18) . . ?
C2 Re1 C1 39.92(19) . . ?
C11 P1 Re1 110.87(18) . . ?
C11 P1 C17 104.6(3) . . ?
C17 P1 Re1 118.15(18) . . ?
C23 P1 Re1 116.5(2) . . ?
C23 P1 C11 104.3(3) . . ?
C23 P1 C17 100.8(3) . . ?
C1 P2 C24 110.3(2) . . ?
C1 P2 C25 114.1(2) . . ?
C1 P2 C31 108.7(2) . . ?
C24 P2 C31 107.2(3) . . ?
C25 P2 C24 108.5(3) . . ?
C25 P2 C31 107.8(2) . . ?
C5 O1 Re1 137.3(4) . . ?
P2 C1 Re1 127.7(3) . . ?
C2 C1 Re1 58.1(3) . . ?
C2 C1 P2 114.9(4) . . ?
C1 C2 Re1 82.0(3) . . ?
C3 C2 Re1 140.0(4) . . ?
C3 C2 C1 137.5(5) . . ?
C4 C3 C2 119.4(5) . . ?
C7 C3 C2 121.3(5) . . ?
C7 C3 C4 119.2(5) . . ?
C3 C4 C5 119.3(5) . . ?
C10 C4 C3 119.3(5) . . ?
C10 C4 C5 121.3(5) . . ?
O1 C5 C4 122.7(5) . . ?
O1 C5 C6 116.5(5) . . ?
C4 C5 C6 120.8(5) . . ?
C8 C7 C3 120.3(6) . . ?
C7 C8 C9 120.7(6) . . ?
C10 C9 C8 119.7(5) . . ?
C9 C10 C4 120.6(5) . . ?
C12 C11 P1 120.7(4) . . ?
C12 C11 C16 118.4(5) . . ?
C16 C11 P1 120.4(5) . . ?
C11 C12 C13 120.3(6) . . ?
C14 C13 C12 121.0(7) . . ?
C13 C14 C15 119.2(6) . . ?
C14 C15 C16 120.8(6) . . ?
C15 C16 C11 120.3(7) . . ?
C18 C17 P1 121.3(4) . . ?
C22 C17 P1 119.2(4) . . ?
C22 C17 C18 119.3(5) . . ?
C19 C18 C17 120.2(6) . . ?
C18 C19 C20 120.4(6) . . ?
C21 C20 C19 120.2(6) . . ?
C20 C21 C22 119.8(5) . . ?
C17 C22 C21 120.1(5) . . ?
C26 C25 P2 119.0(4) . . ?
C30 C25 P2 120.7(4) . . ?
C30 C25 C26 120.3(5) . . ?
C27 C26 C25 119.1(6) . . ?
C28 C27 C26 120.1(6) . . ?
C27 C28 C29 121.1(6) . . ?
C28 C29 C30 119.8(6) . . ?
C25 C30 C29 119.6(6) . . ?
C32 C31 P2 120.8(4) . . ?
C32 C31 C36 119.1(6) . . ?
C36 C31 P2 120.1(4) . . ?
C31 C32 C33 120.0(6) . . ?
C34 C33 C32 121.2(6) . . ?
C33 C34 C35 119.0(7) . . ?
C36 C35 C34 120.8(7) . . ?
C35 C36 C31 120.0(6) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Re1 P1 C11 C12 -84.9(5) . . . . ?
Re1 P1 C11 C16 87.1(5) . . . . ?
Re1 P1 C17 C18 151.6(5) . . . . ?
Re1 P1 C17 C22 -33.3(5) . . . . ?
Re1 O1 C5 C4 -2.2(8) . . . . ?
Re1 O1 C5 C6 178.0(4) . . . . ?
Re1 C1 C2 C3 172.6(7) . . . . ?
Re1 C2 C3 C4 10.9(9) . . . . ?
Re1 C2 C3 C7 -168.0(5) . . . . ?
Cl1 Re1 P1 C11 -157.7(2) . . . . ?
Cl1 Re1 P1 C17 81.7(2) . . . . ?
Cl1 Re1 P1 C23 -38.6(2) . . . . ?
Cl1 Re1 O1 C5 -152.3(5) . . . . ?
Cl1 Re1 C1 P2 -105.2(6) . . . . ?
Cl1 Re1 C1 C2 156.4(5) . . . . ?
Cl1 Re1 C2 C1 -170.1(2) . . . . ?
Cl1 Re1 C2 C3 17.7(8) . . . . ?
Cl2 Re1 P1 C11 -107.5(3) . . . . ?
Cl2 Re1 P1 C17 131.9(3) . . . . ?
Cl2 Re1 P1 C23 11.7(4) . . . . ?
Cl2 Re1 O1 C5 119.1(5) . . . . ?
Cl2 Re1 C1 P2 -14.9(3) . . . . ?
Cl2 Re1 C1 C2 -113.2(3) . . . . ?
Cl2 Re1 C2 C1 73.3(3) . . . . ?
Cl2 Re1 C2 C3 -99.0(6) . . . . ?
Cl3 Re1 P1 C11 -73.60(19) . . . . ?
Cl3 Re1 P1 C17 165.8(2) . . . . ?
Cl3 Re1 P1 C23 45.5(2) . . . . ?
Cl3 Re1 O1 C5 -165.7(4) . . . . ?
Cl3 Re1 C1 P2 -102.9(3) . . . . ?
Cl3 Re1 C1 C2 158.7(3) . . . . ?
Cl3 Re1 C2 C1 -25.0(3) . . . . ?
Cl3 Re1 C2 C3 162.8(5) . . . . ?
P1 Re1 O1 C5 -69.7(5) . . . . ?
P1 Re1 C1 P2 174.7(3) . . . . ?
P1 Re1 C1 C2 76.3(3) . . . . ?
P1 Re1 C2 C1 -102.3(3) . . . . ?
P1 Re1 C2 C3 85.5(6) . . . . ?
P1 C11 C12 C13 170.3(5) . . . . ?
P1 C11 C16 C15 -171.5(6) . . . . ?
P1 C17 C18 C19 176.5(5) . . . . ?
P1 C17 C22 C21 -177.2(4) . . . . ?
P2 C1 C2 Re1 -120.4(3) . . . . ?
P2 C1 C2 C3 52.2(8) . . . . ?
P2 C25 C26 C27 -177.2(5) . . . . ?
P2 C25 C30 C29 177.2(5) . . . . ?
P2 C31 C32 C33 -179.0(5) . . . . ?
P2 C31 C36 C35 178.9(5) . . . . ?
O1 Re1 P1 C11 126.7(2) . . . . ?
O1 Re1 P1 C17 6.1(2) . . . . ?
O1 Re1 P1 C23 -114.2(3) . . . . ?
O1 Re1 C1 P2 72.3(3) . . . . ?
O1 Re1 C1 C2 -26.1(3) . . . . ?
O1 Re1 C2 C1 156.2(3) . . . . ?
O1 Re1 C2 C3 -16.1(6) . . . . ?
C1 Re1 P1 C11 10.3(2) . . . . ?
C1 Re1 P1 C17 -110.3(2) . . . . ?
C1 Re1 P1 C23 129.4(3) . . . . ?
C1 Re1 O1 C5 28.2(5) . . . . ?
C1 Re1 C2 C3 -172.2(8) . . . . ?
C1 P2 C25 C26 9.4(6) . . . . ?
C1 P2 C25 C30 -168.2(5) . . . . ?
C1 P2 C31 C32 146.1(4) . . . . ?
C1 P2 C31 C36 -34.6(5) . . . . ?
C1 C2 C3 C4 -157.7(6) . . . . ?
C1 C2 C3 C7 23.4(10) . . . . ?
C2 Re1 P1 C11 49.2(2) . . . . ?
C2 Re1 P1 C17 -71.4(3) . . . . ?
C2 Re1 P1 C23 168.3(3) . . . . ?
C2 Re1 O1 C5 11.5(5) . . . . ?
C2 Re1 C1 P2 98.3(4) . . . . ?
C2 C3 C4 C5 6.5(8) . . . . ?
C2 C3 C4 C10 -175.1(5) . . . . ?
C2 C3 C7 C8 176.0(5) . . . . ?
C3 C4 C5 O1 -9.7(8) . . . . ?
C3 C4 C5 C6 170.1(5) . . . . ?
C3 C4 C10 C9 -1.4(8) . . . . ?
C3 C7 C8 C9 -0.3(9) . . . . ?
C4 C3 C7 C8 -2.9(8) . . . . ?
C5 C4 C10 C9 177.0(5) . . . . ?
C7 C3 C4 C5 -174.6(5) . . . . ?
C7 C3 C4 C10 3.8(8) . . . . ?
C7 C8 C9 C10 2.8(9) . . . . ?
C8 C9 C10 C4 -1.9(9) . . . . ?
C10 C4 C5 O1 171.9(5) . . . . ?
C10 C4 C5 C6 -8.2(8) . . . . ?
C11 P1 C17 C18 27.8(6) . . . . ?
C11 P1 C17 C22 -157.2(4) . . . . ?
C11 C12 C13 C14 2.0(10) . . . . ?
C12 C11 C16 C15 0.7(10) . . . . ?
C12 C13 C14 C15 -0.8(11) . . . . ?
C13 C14 C15 C16 -0.4(12) . . . . ?
C14 C15 C16 C11 0.4(11) . . . . ?
C16 C11 C12 C13 -1.9(9) . . . . ?
C17 P1 C11 C12 43.5(5) . . . . ?
C17 P1 C11 C16 -144.5(5) . . . . ?
C17 C18 C19 C20 0.2(10) . . . . ?
C18 C17 C22 C21 -2.0(8) . . . . ?
C18 C19 C20 C21 -1.2(11) . . . . ?
C19 C20 C21 C22 0.5(10) . . . . ?
C20 C21 C22 C17 1.1(9) . . . . ?
C22 C17 C18 C19 1.4(10) . . . . ?
C23 P1 C11 C12 148.9(5) . . . . ?
C23 P1 C11 C16 -39.1(6) . . . . ?
C23 P1 C17 C18 -80.3(6) . . . . ?
C23 P1 C17 C22 94.8(5) . . . . ?
C24 P2 C1 Re1 -49.5(4) . . . . ?
C24 P2 C1 C2 18.4(5) . . . . ?
C24 P2 C25 C26 132.9(5) . . . . ?
C24 P2 C25 C30 -44.7(6) . . . . ?
C24 P2 C31 C32 26.9(5) . . . . ?
C24 P2 C31 C36 -153.8(5) . . . . ?
C25 P2 C1 Re1 73.0(4) . . . . ?
C25 P2 C1 C2 140.9(4) . . . . ?
C25 P2 C31 C32 -89.8(5) . . . . ?
C25 P2 C31 C36 89.5(5) . . . . ?
C25 C26 C27 C28 0.8(11) . . . . ?
C26 C25 C30 C29 -0.4(10) . . . . ?
C26 C27 C28 C29 -2.0(13) . . . . ?
C27 C28 C29 C30 1.9(13) . . . . ?
C28 C29 C30 C25 -0.8(12) . . . . ?
C30 C25 C26 C27 0.3(9) . . . . ?
C31 P2 C1 Re1 -166.7(3) . . . . ?
C31 P2 C1 C2 -98.9(4) . . . . ?
C31 P2 C25 C26 -111.4(5) . . . . ?
C31 P2 C25 C30 71.1(6) . . . . ?
C31 C32 C33 C34 -0.7(10) . . . . ?
C32 C31 C36 C35 -1.7(9) . . . . ?
C32 C33 C34 C35 -0.4(11) . . . . ?
C33 C34 C35 C36 0.3(11) . . . . ?
C34 C35 C36 C31 0.7(10) . . . . ?
C36 C31 C32 C33 1.7(9) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
