# Electronic Supplementary Material (ESI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 2022

####################################################################### 
# 
# 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_wp-20191108-1
_database_code_depnum_ccdc_archive 'CCDC 2152927'
loop_
_audit_author_name
_audit_author_address
'Jiangxi CHEN'
;Xiamen University
China
;
_audit_update_record             
;
2022-02-18 deposited with the CCDC.	2022-04-14 downloaded from the CCDC.
;
_audit_creation_date             2022-02-17
_audit_creation_method           
;
Olex2 1.5
(compiled 2021.10.07 svn.r9718050b for OlexSys, GUI svn.r6410)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '2(C43 H41 Cl2 P2 Re), 1.083(C7 H8)'
_chemical_formula_sum            'C93.58 H90.67 Cl4 P4 Re2'
_chemical_formula_weight         1853.39
_chemical_absolute_configuration ?
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C376 H368 Cl32 Re8 '
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Re Re -5.2083 5.8923 '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      orthorhombic
_space_group_IT_number           33
_space_group_name_H-M_alt        'P n a 21'
_space_group_name_Hall           'P 2c -2n'
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'

_cell_length_a                   24.4910(4)
_cell_length_b                   12.5355(2)
_cell_length_c                   28.4851(5)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     8745.1(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    20343
_cell_measurement_temperature    100.00(19)
_cell_measurement_theta_max      68.4130
_cell_measurement_theta_min      3.1140
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    7.472
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.66152
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.53 (Rigaku Oxford Diffraction, 2019)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_lustre     .
_exptl_crystal_colour_modifier   .
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.408
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3721
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0468
_diffrn_reflns_av_unetI/netI     0.0477
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            40523
_diffrn_reflns_point_group_measured_fraction_full 0.845
_diffrn_reflns_point_group_measured_fraction_max 0.845
_diffrn_reflns_theta_full        65.000
_diffrn_reflns_theta_max         65.000
_diffrn_reflns_theta_min         3.103
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.00(19)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -15.00  27.00   0.50    0.10    --    0.00  36.00   4.00   84
  2  ω   -102.00 -15.00   0.50    0.20    --  -88.50  36.00   4.00  174
  3  ω    -83.00 -15.00   0.50    0.20    --  -88.50 103.00 101.00  136
  4  ω    104.00 164.00   0.50    0.20    --   90.79  95.00-158.00  120
  5  ω    -13.00  70.00   0.50    0.10    --    0.00  37.00 120.00  166
  6  ω    -26.00  -1.00   0.50    0.10    --    0.00 103.00 101.00   50
  7  ω    -95.00 -39.00   0.50    0.20    --  -88.50  37.00-180.00  112
  8  ω    -58.00 -15.00   0.50    0.20    --  -88.50  19.00 120.00   86
  9  ω     92.00 156.00   0.50    0.20    --   90.79  37.00 120.00  128
 10  ω    102.00 162.00   0.50    0.20    --   90.79 125.00-180.00  120
 11  ω    103.00 131.00   0.50    0.20    --   90.79 125.00 -60.00   56
 12  ω     18.00 107.00   0.50    0.20    --   90.79 -57.00-150.00  178
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0079485000
_diffrn_orient_matrix_UB_12      0.0755915000
_diffrn_orient_matrix_UB_13      0.0421405000
_diffrn_orient_matrix_UB_21      -0.0274688000
_diffrn_orient_matrix_UB_22      0.0909611000
_diffrn_orient_matrix_UB_23      -0.0276633000
_diffrn_orient_matrix_UB_31      -0.0559917000
_diffrn_orient_matrix_UB_32      -0.0339622000
_diffrn_orient_matrix_UB_33      0.0194824000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_reflns_Friedel_coverage         0.655
_reflns_Friedel_fraction_full    0.684
_reflns_Friedel_fraction_max     0.684
_reflns_number_gt                11780
_reflns_number_total             12583
_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. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_computing_data_collection       'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_computing_data_reduction        'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.453
_refine_diff_density_min         -0.589
_refine_diff_density_rms         0.127
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.140(13)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     980
_refine_ls_number_reflns         12583
_refine_ls_number_restraints     385
_refine_ls_R_factor_all          0.0454
_refine_ls_R_factor_gt           0.0414
_refine_ls_restrained_S_all      1.027
_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)+(0.0715P)²+15.0729P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1105
_refine_ls_wR_factor_ref         0.1144
_refine_special_details          
;
 Refined as a 2-component inversion twin.
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.860(13)
 0.140(13)
2. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
3. Uiso/Uaniso restraints and constraints
C01A \\sim C00P \\sim C02B \\sim C01Y \\sim C02F \\sim C02D \\sim C02S \\sim
C02N \\sim C02Q \\sim C02H \\sim C019 \\sim C00X \\sim C01U \\sim C02I \\sim
C00G \\sim C02C \\sim C02O \\sim C02P \\sim C02L: within 2A with sigma of 0.005
and sigma for terminal atoms of 0.01 within 2A
C02R \\sim C02U \\sim C02T \\sim C02M \\sim C02G \\sim C02K \\sim C02W \\sim C5
\\sim C3 \\sim C12 \\sim C15B \\sim C2 \\sim C6 \\sim C1: within 2A with sigma
of 0.0005 and sigma for terminal atoms of 0.001 within 2A
Uanis(C2) \\sim Ueq, Uanis(C15B) \\sim Ueq, Uanis(C12) \\sim Ueq, Uanis(C3)
\\sim Ueq, Uanis(C5) \\sim Ueq, Uanis(C6) \\sim Ueq, Uanis(C1) \\sim Ueq: with
sigma of 0.0005 and sigma for terminal atoms of 0.001
Uanis(C02D) \\sim Ueq, Uanis(C02S) \\sim Ueq, Uanis(C00P) \\sim Ueq,
Uanis(C02B) \\sim Ueq, Uanis(C01Y) \\sim Ueq, Uanis(C02F) \\sim Ueq,
Uanis(C00N) \\sim Ueq, Uanis(C01Z) \\sim Ueq, Uanis(C00U) \\sim Ueq,
Uanis(C00Z) \\sim Ueq, Uanis(C02J) \\sim Ueq, Uanis(C01D) \\sim Ueq,
Uanis(C02H) \\sim Ueq, Uanis(C019) \\sim Ueq, Uanis(C00X) \\sim Ueq,
Uanis(C01U) \\sim Ueq, Uanis(C02N) \\sim Ueq, Uanis(C02Q) \\sim Ueq,
Uanis(C01A) \\sim Ueq, Uanis(C02C) \\sim Ueq, Uanis(C02O) \\sim Ueq,
Uanis(C02P) \\sim Ueq, Uanis(C02L) \\sim Ueq, Uanis(C02I) \\sim Ueq,
Uanis(C00G) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
Uanis(C02S) \\sim Ueq, Uanis(C00P) \\sim Ueq, Uanis(C02B) \\sim Ueq,
Uanis(C02F) \\sim Ueq, Uanis(C02D) \\sim Ueq, Uanis(C01Y) \\sim Ueq: with sigma
of 0.0005 and sigma for terminal atoms of 0.001
4. Others
 Fixed Sof: C02G(0.75) C02K(0.75) H02U(0.75) C02M(0.75) H02V(0.75) C02R(0.75)
 H02W(0.75) C02T(0.75) H02X(0.75) C02U(0.75) H02Y(0.75) C02W(0.75) H02Z(0.75)
 HC(0.75) HD(0.75) C1(0.33333) H1A(0.33333) H1B(0.33333) H1C(0.33333)
 C15B(0.33333) H15B(0.33333) C12(0.33333) H12(0.33333) C3(0.33333) H3A(0.33333)
 C5(0.33333) H5(0.33333) C6(0.33333) H6(0.33333) C2(0.33333)
5.a Aromatic/amide H refined with riding coordinates:
 C00B(H00B), C00D(H00D), C00F(H00F), C00H(H00H), C00I(H00I), C00K(H00K),
 C00M(H00M), C00O(H00O), C00R(H00R), C00T(H00T), C00U(H00U), C00W(H00W),
 C00X(H00X), C00Y(H00Y), C00Z(H00Z), C012(H012), C013(H013), C015(H015),
 C017(H017), C018(H018), C01B(H01G), C01C(H01H), C01D(H01I), C01I(H1),
 C01O(H01P), C01R(H2), C01U(H01U), C01X(H4), C01Y(H01Y), C02F(H02F), C02D(H02D),
  C02S(H02S), C00P(H00P), C01Z(H01Z), C020(H020), C021(H021), C022(H022),
 C025(H025), C026(H026), C028(H028), C029(H029), C02A(H02K), C02C(H02L),
 C02E(H02M), C02H(H02H), C02I(H02O), C02J(H02J), C02K(H02U), C02L(H02P),
 C02M(H02V), C02N(H02N), C02O(H02R), C02P(H02T), C02Q(H02Q), C02R(H02W),
 C02T(H02X), C02U(H02Y), C15B(H15B), C12(H12), C3(H3A), C5(H5), C6(H6)
5.b Fitted hexagon refined as free rotating group:
 C01Y(C02F,C02D,C02S,C00P,C02B), C15B(C12,C3,C5,C6,C2)
5.c Idealised Me refined as rotating group:
 C011(H01T,H01V,H01W), C016(H01A,H01B,H01C), C01A(H01D,H01E,H01F), C01G(H01X,
 H01,H), C01K(H01J,H01K,H01L), C01M(H01M,H01N,H01O), C01S(H01Q,H01R,H01S),
 C01V(H3,HA,HB), C023(H02A,H02B,H02C), C027(H02E,H02G,H02I), C02W(H02Z,HC,HD),
 C1(H1A,H1B,H1C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_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
Re01 Re 0.53062(2) 0.70166(3) 0.58695(2) 0.01741(12) Uani 1 1 d . . . . .
Re02 Re 0.73400(2) 1.19193(3) 0.41232(2) 0.01896(12) Uani 1 1 d . . . . .
Cl03 Cl 0.71338(10) 1.05290(19) 0.47231(9) 0.0269(5) Uani 1 1 d . . . . .
Cl04 Cl 0.54657(10) 0.5449(2) 0.53454(9) 0.0273(5) Uani 1 1 d . . . . .
Cl05 Cl 0.61670(9) 0.6484(2) 0.62877(9) 0.0263(5) Uani 1 1 d . . . . .
Cl06 Cl 0.64739(10) 1.1311(2) 0.37277(10) 0.0310(6) Uani 1 1 d . . . . .
P07 P 0.67834(10) 1.30755(19) 0.46237(10) 0.0202(5) Uani 1 1 d . . . . .
P08 P 0.58839(11) 0.8010(2) 0.53213(10) 0.0241(6) Uani 1 1 d . . . . .
P09 P 0.48661(10) 0.5656(2) 0.63738(10) 0.0239(5) Uani 1 1 d . . . . .
P0A P 0.77746(11) 1.0415(2) 0.36914(10) 0.0260(6) Uani 1 1 d . . . . .
C00B C 0.6727(4) 1.3997(7) 0.5520(4) 0.019(2) Uani 1 1 d . . . . .
H00B H 0.644729 1.441722 0.539870 0.023 Uiso 1 1 calc R U . . .
C00C C 0.7012(4) 1.3269(8) 0.5222(4) 0.021(2) Uani 1 1 d . . . . .
C00D C 0.5074(4) 0.7570(8) 0.4084(4) 0.024(2) Uani 1 1 d . . . . .
H00D H 0.479258 0.714384 0.397020 0.029 Uiso 1 1 calc R U . . .
C00E C 0.3255(4) 0.8720(9) 0.5592(4) 0.028(2) Uani 1 1 d . . . . .
C00F C 0.7436(4) 1.2673(8) 0.5416(4) 0.021(2) Uani 1 1 d . . . . .
H00F H 0.763001 1.220410 0.522601 0.025 Uiso 1 1 calc R U . . .
C00G C 0.6725(5) 1.4418(10) 0.4381(5) 0.039(2) Uani 1 1 d . U . . .
C00H C 0.7326(4) 1.3715(8) 0.3321(4) 0.023(2) Uani 1 1 d . . . . .
H00H H 0.709615 1.429217 0.337571 0.027 Uiso 1 1 calc R U . . .
C00I C 0.5216(4) 0.7523(8) 0.4552(4) 0.022(2) Uani 1 1 d . . . . .
H00I H 0.502954 0.706366 0.475215 0.026 Uiso 1 1 calc R U . . .
C00J C 0.7352(4) 1.2955(9) 0.3652(5) 0.027(3) Uani 1 1 d . . . . .
C00K C 0.6867(4) 1.4071(8) 0.5984(4) 0.025(2) Uani 1 1 d . . . . .
H00K H 0.667688 1.454036 0.617717 0.030 Uiso 1 1 calc R U . . .
C00L C 0.5634(4) 0.8152(8) 0.4727(4) 0.020(2) Uani 1 1 d . . . . .
C00M C 0.7287(4) 1.3461(9) 0.6174(4) 0.028(2) Uani 1 1 d . . . . .
H00M H 0.737590 1.351740 0.649034 0.033 Uiso 1 1 calc R U . . .
C00N C 0.4223(4) 0.5215(8) 0.6115(4) 0.022(2) Uani 1 1 d . U . . .
C00O C 0.5763(5) 0.8888(8) 0.3952(4) 0.029(2) Uani 1 1 d . . . . .
H00O H 0.595232 0.933903 0.374975 0.034 Uiso 1 1 calc R U . . .
C00Q C 0.8863(4) 1.3174(7) 0.4154(4) 0.0193(19) Uani 1 1 d . . . . .
C00R C 0.7448(5) 1.1128(9) 0.2812(4) 0.031(3) Uani 1 1 d . . . . .
H00R H 0.719407 1.154037 0.297389 0.038 Uiso 1 1 calc R U . . .
C00S C 0.4467(4) 0.8958(9) 0.7015(4) 0.029(2) Uani 1 1 d . . . . .
C00T C 0.7573(4) 1.2766(8) 0.5884(4) 0.026(2) Uani 1 1 d . . . . .
H00T H 0.785763 1.236191 0.600542 0.031 Uiso 1 1 calc R U . . .
C00U C 0.3277(4) 0.5526(8) 0.5934(4) 0.032(2) Uani 1 1 d . U . . .
H00U H 0.295914 0.591928 0.597884 0.038 Uiso 1 1 calc R U . . .
C00V C 0.8685(4) 1.3201(8) 0.3675(4) 0.023(2) Uani 1 1 d . . . . .
C00W C 0.7828(5) 1.0565(11) 0.2078(4) 0.041(3) Uani 1 1 d . . . . .
H00W H 0.784017 1.060745 0.175221 0.050 Uiso 1 1 calc R U . . .
C00X C 0.5117(5) 0.6573(10) 0.7228(4) 0.035(2) Uani 1 1 d . U . . .
H00X H 0.543843 0.677516 0.707846 0.042 Uiso 1 1 calc R U . . .
C00Y C 0.4184(4) 0.7882(8) 0.5444(4) 0.024(2) Uani 1 1 d . . . . .
H00Y H 0.409962 0.783288 0.512662 0.029 Uiso 1 1 calc R U . . .
C00Z C 0.3270(5) 0.4674(10) 0.5632(5) 0.037(3) Uani 1 1 d . U . . .
H00Z H 0.295491 0.449898 0.546740 0.045 Uiso 1 1 calc R U . . .
C010 C 0.5029(4) 0.9205(8) 0.6993(4) 0.025(2) Uani 1 1 d . . . . .
C011 C 0.9371(4) 1.4842(9) 0.4262(4) 0.034(3) Uani 1 1 d . . . . .
H01T H 0.908166 1.507545 0.446571 0.051 Uiso 1 1 calc R U . . .
H01V H 0.929282 1.506057 0.394621 0.051 Uiso 1 1 calc R U . . .
H01W H 0.970906 1.515435 0.436227 0.051 Uiso 1 1 calc R U . . .
C012 C 0.7388(4) 1.4013(11) 0.2462(4) 0.038(3) Uani 1 1 d . . . . .
H012 H 0.702967 1.425518 0.247036 0.046 Uiso 1 1 calc R U . . .
C013 C 0.4181(5) 0.9106(12) 0.7441(5) 0.043(3) Uani 1 1 d . . . . .
H013 H 0.381370 0.892582 0.746178 0.051 Uiso 1 1 calc R U . . .
C014 C 0.7631(4) 1.3703(9) 0.2883(4) 0.026(2) Uani 1 1 d . . . . .
C015 C 0.7456(4) 1.1152(9) 0.2328(4) 0.032(2) Uani 1 1 d . . . . .
H015 H 0.720471 1.157485 0.216877 0.038 Uiso 1 1 calc R U . . .
C016 C 0.3059(4) 0.8157(10) 0.5148(4) 0.033(3) Uani 1 1 d . . . . .
H01A H 0.268862 0.836060 0.508307 0.050 Uiso 1 1 calc R U . . .
H01B H 0.307762 0.739870 0.519187 0.050 Uiso 1 1 calc R U . . .
H01C H 0.328731 0.835807 0.488834 0.050 Uiso 1 1 calc R U . . .
C017 C 0.8482(4) 1.2830(8) 0.4479(4) 0.022(2) Uani 1 1 d . . . . .
H017 H 0.856831 1.287419 0.479646 0.027 Uiso 1 1 calc R U . . .
C018 C 0.5897(4) 0.8860(9) 0.4419(4) 0.027(2) Uani 1 1 d . . . . .
H018 H 0.616549 0.931608 0.453317 0.032 Uiso 1 1 calc R U . . .
C019 C 0.4720(5) 0.6006(11) 0.6986(5) 0.040(2) Uani 1 1 d . U . . .
C01A C 0.6549(5) 0.7400(12) 0.5225(5) 0.047(3) Uani 1 1 d . U . . .
H01D H 0.673374 0.732176 0.551994 0.071 Uiso 1 1 calc R U . . .
H01E H 0.676163 0.784511 0.502067 0.071 Uiso 1 1 calc R U . . .
H01F H 0.650131 0.671146 0.508312 0.071 Uiso 1 1 calc R U . . .
C01B C 0.5351(4) 0.8254(8) 0.3780(5) 0.027(2) Uani 1 1 d . . . . .
H01G H 0.525815 0.828181 0.346413 0.033 Uiso 1 1 calc R U . . .
C01C C 0.5350(4) 0.9009(9) 0.6570(4) 0.027(2) Uani 1 1 d . . . . .
H01H H 0.560826 0.952051 0.648845 0.032 Uiso 1 1 calc R U . . .
C01D C 0.4219(5) 0.4344(9) 0.5811(5) 0.041(3) Uani 1 1 d . U . . .
H01I H 0.453190 0.393884 0.576347 0.049 Uiso 1 1 calc R U . . .
C01E C 0.9415(4) 1.3634(8) 0.4282(4) 0.024(2) Uani 1 1 d . . . . .
C01F C 0.4176(4) 0.8650(8) 0.6597(4) 0.027(2) Uani 1 1 d . . . . .
C01G C 0.9596(5) 1.3255(11) 0.4770(4) 0.035(3) Uani 1 1 d . . . . .
H01X H 0.959199 1.248916 0.477932 0.052 Uiso 1 1 calc R U . . .
H01 H 0.935030 1.353005 0.500265 0.052 Uiso 1 1 calc R U . . .
H H 0.995875 1.350708 0.483204 0.052 Uiso 1 1 calc R U . . .
C01H C 0.4695(4) 0.7483(8) 0.5610(3) 0.0180(19) Uani 1 1 d . . . . .
C01I C 0.8190(5) 1.3575(10) 0.2016(4) 0.033(3) Uani 1 1 d . . . . .
H1 H 0.836272 1.348176 0.172821 0.040 Uiso 1 1 calc R U . . .
C01J C 0.8479(4) 1.3229(8) 0.3288(4) 0.023(2) Uani 1 1 d . . . . .
C01K C 0.3296(4) 0.9917(9) 0.5499(5) 0.038(3) Uani 1 1 d . . . . .
H01J H 0.350918 1.003788 0.522112 0.057 Uiso 1 1 calc R U . . .
H01K H 0.346749 1.026052 0.576149 0.057 Uiso 1 1 calc R U . . .
H01L H 0.293634 1.020620 0.545528 0.057 Uiso 1 1 calc R U . . .
C01L C 0.3822(4) 0.8329(8) 0.5741(4) 0.024(2) Uani 1 1 d . . . . .
C01M C 0.2846(4) 0.8535(10) 0.5996(4) 0.036(3) Uani 1 1 d . . . . .
H01M H 0.249244 0.879400 0.590424 0.054 Uiso 1 1 calc R U . . .
H01N H 0.296667 0.891129 0.627026 0.054 Uiso 1 1 calc R U . . .
H01O H 0.282343 0.778661 0.606350 0.054 Uiso 1 1 calc R U . . .
C01N C 0.3987(4) 0.8503(9) 0.6218(4) 0.028(2) Uani 1 1 d . . . . .
C01O C 0.5274(4) 0.9659(9) 0.7389(4) 0.028(2) Uani 1 1 d . . . . .
H01P H 0.564028 0.985187 0.737734 0.034 Uiso 1 1 calc R U . . .
C01P C 0.8195(4) 1.3396(8) 0.2859(4) 0.023(2) Uani 1 1 d . . . . .
C01Q C 0.7810(5) 1.0500(10) 0.3061(4) 0.035(3) Uani 1 1 d . . . . .
C01R C 0.8454(5) 1.3325(9) 0.2428(4) 0.031(2) Uani 1 1 d . . . . .
H2 H 0.881649 1.310262 0.241711 0.037 Uiso 1 1 calc R U . . .
C01S C 0.5265(4) 0.4436(10) 0.6437(5) 0.037(3) Uani 1 1 d . . . . .
H01Q H 0.535665 0.416418 0.613171 0.056 Uiso 1 1 calc R U . . .
H01R H 0.505553 0.391404 0.660472 0.056 Uiso 1 1 calc R U . . .
H01S H 0.559452 0.458860 0.660728 0.056 Uiso 1 1 calc R U . . .
C01T C 0.7957(4) 1.2405(7) 0.4345(3) 0.020(2) Uani 1 1 d . . . . .
C01U C 0.5031(5) 0.6834(10) 0.7693(5) 0.043(2) Uani 1 1 d . U . . .
H01U H 0.529419 0.722729 0.785135 0.051 Uiso 1 1 calc R U . . .
C01V C 0.6091(4) 1.2625(11) 0.4695(4) 0.034(3) Uani 1 1 d . . . . .
H3 H 0.609074 1.193666 0.484311 0.051 Uiso 1 1 calc R U . . .
HA H 0.591919 1.257390 0.439312 0.051 Uiso 1 1 calc R U . . .
HB H 0.589447 1.312279 0.488717 0.051 Uiso 1 1 calc R U . . .
C01W C 0.8475(4) 1.0186(8) 0.3910(4) 0.028(2) Uani 1 1 d . . . . .
C01X C 0.8933(4) 1.0530(9) 0.3665(4) 0.032(3) Uani 1 1 d . . . . .
H4 H 0.889686 1.085010 0.337239 0.039 Uiso 1 1 calc R U . . .
C01Y C 0.6514(3) 0.9539(7) 0.5746(4) 0.055(2) Uani 1 1 d G U . . .
H01Y H 0.678384 0.901780 0.575876 0.066 Uiso 1 1 calc R U . . .
C02F C 0.6606(3) 1.0537(7) 0.5943(4) 0.064(3) Uani 1 1 d G U . . .
H02F H 0.693817 1.068337 0.608814 0.077 Uiso 1 1 calc R U . . .
C02D C 0.6203(4) 1.1315(6) 0.5924(4) 0.065(3) Uani 1 1 d G U . . .
H02D H 0.626463 1.198271 0.605595 0.078 Uiso 1 1 calc R U . . .
C02S C 0.5707(3) 1.1096(6) 0.5707(4) 0.063(3) Uani 1 1 d G U . . .
H02S H 0.543676 1.161647 0.569439 0.075 Uiso 1 1 calc R U . . .
C00P C 0.5614(3) 1.0098(7) 0.5510(3) 0.050(2) Uani 1 1 d G U . . .
H00P H 0.528242 0.995090 0.536501 0.060 Uiso 1 1 calc R U . . .
C02B C 0.6018(3) 0.9319(6) 0.5529(3) 0.045(2) Uani 1 1 d G U . . .
C01Z C 0.3748(4) 0.5814(9) 0.6173(4) 0.030(2) Uani 1 1 d . U . . .
H01Z H 0.374723 0.640387 0.637128 0.037 Uiso 1 1 calc R U . . .
C020 C 0.7649(5) 1.3979(10) 0.2039(4) 0.037(3) Uani 1 1 d . . . . .
H020 H 0.747372 1.421795 0.176939 0.044 Uiso 1 1 calc R U . . .
C021 C 0.4451(5) 0.9519(12) 0.7826(5) 0.045(3) Uani 1 1 d . . . . .
H021 H 0.426657 0.958578 0.810959 0.055 Uiso 1 1 calc R U . . .
C022 C 0.8186(5) 0.9903(12) 0.2321(5) 0.047(3) Uani 1 1 d . . . . .
H022 H 0.844144 0.950389 0.215540 0.056 Uiso 1 1 calc R U . . .
C023 C 0.7441(6) 0.9137(10) 0.3779(5) 0.046(3) Uani 1 1 d . . . . .
H02A H 0.707245 0.917489 0.366686 0.069 Uiso 1 1 calc R U . . .
H02B H 0.744027 0.896544 0.410774 0.069 Uiso 1 1 calc R U . . .
H02C H 0.763547 0.859430 0.360971 0.069 Uiso 1 1 calc R U . . .
C024 C 0.5305(4) 0.8157(8) 0.6288(4) 0.022(2) Uani 1 1 d . . . . .
C025 C 0.8169(5) 0.9830(10) 0.2810(4) 0.039(3) Uani 1 1 d . . . . .
H025 H 0.839161 0.934723 0.296738 0.047 Uiso 1 1 calc R U . . .
C026 C 0.4982(5) 0.9828(11) 0.7797(4) 0.038(3) Uani 1 1 d . . . . .
H026 H 0.514849 1.015476 0.805242 0.046 Uiso 1 1 calc R U . . .
C027 C 0.9841(5) 1.3267(10) 0.3920(4) 0.032(3) Uani 1 1 d . . . . .
H02E H 0.971340 1.342938 0.360944 0.048 Uiso 1 1 calc R U . . .
H02G H 0.989671 1.251210 0.394870 0.048 Uiso 1 1 calc R U . . .
H02I H 1.017985 1.363201 0.397563 0.048 Uiso 1 1 calc R U . . .
C028 C 0.9506(5) 0.9953(9) 0.4298(5) 0.040(3) Uani 1 1 d . . . . .
H028 H 0.985460 0.986481 0.442158 0.047 Uiso 1 1 calc R U . . .
C029 C 0.9432(5) 1.0395(9) 0.3858(5) 0.038(3) Uani 1 1 d . . . . .
H029 H 0.973761 1.060700 0.368822 0.045 Uiso 1 1 calc R U . . .
C02A C 0.8519(5) 0.9736(10) 0.4352(5) 0.041(3) Uani 1 1 d . . . . .
H02K H 0.821370 0.949842 0.451523 0.049 Uiso 1 1 calc R U . . .
C02C C 0.6257(5) 1.4795(11) 0.4188(5) 0.050(2) Uani 1 1 d . U . . .
H02L H 0.594077 1.438538 0.419261 0.060 Uiso 1 1 calc R U . . .
C02E C 0.9061(7) 0.9652(12) 0.4546(5) 0.058(4) Uani 1 1 d . . . . .
H02M H 0.910544 0.938461 0.484782 0.070 Uiso 1 1 calc R U . . .
C02G C 0.9209(8) 1.7708(16) 0.2739(8) 0.0536(17) Uani 0.75 1 d . U P . .
C02H C 0.4274(6) 0.5594(13) 0.7211(6) 0.056(3) Uani 1 1 d . U . . .
H02H H 0.403420 0.513048 0.706091 0.068 Uiso 1 1 calc R U . . .
C02I C 0.7177(6) 1.5078(11) 0.4378(5) 0.046(2) Uani 1 1 d . U . . .
H02O H 0.749426 1.484430 0.452439 0.055 Uiso 1 1 calc R U . . .
C02J C 0.3732(6) 0.4092(12) 0.5580(5) 0.049(3) Uani 1 1 d . U . . .
H02J H 0.372554 0.350238 0.538214 0.059 Uiso 1 1 calc R U . . .
C02K C 0.9036(8) 1.7393(16) 0.2298(8) 0.0535(17) Uani 0.75 1 d . U P . .
H02U H 0.920908 1.765558 0.203169 0.064 Uiso 0.75 1 calc R U P . .
C02L C 0.7178(6) 1.6070(11) 0.4166(6) 0.055(2) Uani 1 1 d . U . . .
H02P H 0.749434 1.648096 0.415919 0.066 Uiso 1 1 calc R U . . .
C02M C 0.8946(8) 1.7356(16) 0.3128(8) 0.0536(17) Uani 0.75 1 d . U P . .
H02V H 0.905048 1.761954 0.341954 0.064 Uiso 0.75 1 calc R U P . .
C02N C 0.4575(6) 0.6534(13) 0.7923(6) 0.057(3) Uani 1 1 d . U . . .
H02N H 0.452144 0.674490 0.823220 0.069 Uiso 1 1 calc R U . . .
C02O C 0.6256(6) 1.5829(12) 0.3976(6) 0.056(2) Uani 1 1 d . U . . .
H02R H 0.593656 1.608733 0.384229 0.067 Uiso 1 1 calc R U . . .
C02P C 0.6709(6) 1.6435(13) 0.3968(6) 0.058(3) Uani 1 1 d . U . . .
H02T H 0.670173 1.710377 0.382648 0.069 Uiso 1 1 calc R U . . .
C02Q C 0.4190(7) 0.5918(14) 0.7700(6) 0.066(3) Uani 1 1 d . U . . .
H02Q H 0.387731 0.570713 0.785934 0.079 Uiso 1 1 calc R U . . .
C02R C 0.8606(8) 1.6691(16) 0.2254(8) 0.0535(17) Uani 0.75 1 d . U P . .
H02W H 0.847806 1.647722 0.196116 0.064 Uiso 0.75 1 calc R U P . .
C02T C 0.8524(8) 1.6610(17) 0.3105(8) 0.0536(17) Uani 0.75 1 d . U P . .
H02X H 0.835596 1.633361 0.337159 0.064 Uiso 0.75 1 calc R U P . .
C02U C 0.8377(8) 1.6320(16) 0.2664(8) 0.0535(17) Uani 0.75 1 d . U P . .
H02Y H 0.809506 1.582686 0.263576 0.064 Uiso 0.75 1 calc R U P . .
C02W C 0.9636(8) 1.8460(17) 0.2780(8) 0.0539(18) Uani 0.75 1 d . U P . .
H02Z H 0.953599 1.910436 0.261933 0.081 Uiso 0.75 1 calc R U P . .
HC H 0.996252 1.817323 0.264143 0.081 Uiso 0.75 1 calc R U P . .
HD H 0.970100 1.861257 0.310504 0.081 Uiso 0.75 1 calc R U P . .
C1 C 0.5682(18) 1.831(4) 0.1562(17) 0.053(3) Uani 0.3333 1 d . U P . .
H1A H 0.583555 1.813256 0.126237 0.080 Uiso 0.3333 1 calc R U P . .
H1B H 0.563294 1.906825 0.158328 0.080 Uiso 0.3333 1 calc R U P . .
H1C H 0.533494 1.796189 0.159701 0.080 Uiso 0.3333 1 calc R U P . .
C15B C 0.5986(10) 1.703(2) 0.2222(11) 0.053(3) Uani 0.3333 1 d G U P . .
H15B H 0.568124 1.659930 0.216915 0.064 Uiso 0.3333 1 calc R U P . .
C12 C 0.6358(11) 1.6751(19) 0.2570(10) 0.054(3) Uani 0.3333 1 d G U P . .
H12 H 0.630284 1.614066 0.274965 0.064 Uiso 0.3333 1 calc R U P . .
C3 C 0.6814(10) 1.739(2) 0.2649(9) 0.053(3) Uani 0.3333 1 d G U P . .
H3A H 0.706293 1.720348 0.288197 0.064 Uiso 0.3333 1 calc R U P . .
C5 C 0.6897(9) 1.830(2) 0.2381(10) 0.053(3) Uani 0.3333 1 d G U P . .
H5 H 0.720142 1.872494 0.243380 0.064 Uiso 0.3333 1 calc R U P . .
C6 C 0.6524(11) 1.8574(19) 0.2033(10) 0.053(3) Uani 0.3333 1 d G U P . .
H6 H 0.657983 1.918361 0.185330 0.064 Uiso 0.3333 1 calc R U P . .
C2 C 0.6069(10) 1.794(2) 0.1954(10) 0.053(3) Uani 0.3333 1 d G U P . .


_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
Re01 Cl04 2.499(2) . ?
Re01 Cl05 2.512(2) . ?
Re01 P08 2.448(3) . ?
Re01 P09 2.477(3) . ?
Re01 C01H 1.768(9) . ?
Re01 C024 1.862(11) . ?
Re02 Cl03 2.492(3) . ?
Re02 Cl06 2.520(2) . ?
Re02 P07 2.448(3) . ?
Re02 P0A 2.491(3) . ?
Re02 C00J 1.868(13) . ?
Re02 C01T 1.748(10) . ?
P07 C00C 1.812(11) . ?
P07 C00G 1.824(13) . ?
P07 C01V 1.798(11) . ?
P08 C00L 1.808(11) . ?
P08 C01A 1.820(13) . ?
P08 C02B 1.775(7) . ?
P09 C00N 1.823(10) . ?
P09 C019 1.835(14) . ?
P09 C01S 1.824(11) . ?
P0A C01Q 1.802(12) . ?
P0A C01W 1.848(11) . ?
P0A C023 1.815(12) . ?
C00B H00B 0.9300 . ?
C00B C00C 1.428(14) . ?
C00B C00K 1.370(15) . ?
C00C C00F 1.391(15) . ?
C00D H00D 0.9300 . ?
C00D C00I 1.380(15) . ?
C00D C01B 1.395(16) . ?
C00E C016 1.527(16) . ?
C00E C01K 1.528(15) . ?
C00E C01L 1.532(13) . ?
C00E C01M 1.543(16) . ?
C00F H00F 0.9300 . ?
C00F C00T 1.379(16) . ?
C00G C02C 1.357(18) . ?
C00G C02I 1.381(18) . ?
C00H H00H 0.9300 . ?
C00H C00J 1.342(17) . ?
C00H C014 1.453(15) . ?
C00I H00I 0.9300 . ?
C00I C00L 1.386(14) . ?
C00K H00K 0.9300 . ?
C00K C00M 1.392(15) . ?
C00L C018 1.404(14) . ?
C00M H00M 0.9300 . ?
C00M C00T 1.389(16) . ?
C00N C01D 1.394(16) . ?
C00N C01Z 1.395(15) . ?
C00O H00O 0.9300 . ?
C00O C018 1.371(16) . ?
C00O C01B 1.374(16) . ?
C00Q C00V 1.433(16) . ?
C00Q C017 1.382(15) . ?
C00Q C01E 1.514(13) . ?
C00R H00R 0.9300 . ?
C00R C015 1.379(16) . ?
C00R C01Q 1.381(18) . ?
C00S C010 1.413(15) . ?
C00S C013 1.413(16) . ?
C00S C01F 1.442(15) . ?
C00T H00T 0.9300 . ?
C00U H00U 0.9300 . ?
C00U C00Z 1.370(17) . ?
C00U C01Z 1.389(16) . ?
C00V C01J 1.214(16) . ?
C00W H00W 0.9300 . ?
C00W C015 1.371(17) . ?
C00W C022 1.393(19) . ?
C00X H00X 0.9300 . ?
C00X C019 1.388(18) . ?
C00X C01U 1.379(19) . ?
C00Y H00Y 0.9300 . ?
C00Y C01H 1.430(14) . ?
C00Y C01L 1.346(15) . ?
C00Z H00Z 0.9300 . ?
C00Z C02J 1.355(19) . ?
C010 C01C 1.460(15) . ?
C010 C01O 1.397(16) . ?
C011 H01T 0.9600 . ?
C011 H01V 0.9600 . ?
C011 H01W 0.9600 . ?
C011 C01E 1.520(15) . ?
C012 H012 0.9300 . ?
C012 C014 1.392(16) . ?
C012 C020 1.364(17) . ?
C013 H013 0.9300 . ?
C013 C021 1.381(17) . ?
C014 C01P 1.436(14) . ?
C015 H015 0.9300 . ?
C016 H01A 0.9600 . ?
C016 H01B 0.9600 . ?
C016 H01C 0.9600 . ?
C017 H017 0.9300 . ?
C017 C01T 1.443(14) . ?
C018 H018 0.9300 . ?
C019 C02H 1.37(2) . ?
C01A H01D 0.9600 . ?
C01A H01E 0.9600 . ?
C01A H01F 0.9600 . ?
C01B H01G 0.9300 . ?
C01C H01H 0.9300 . ?
C01C C024 1.340(15) . ?
C01D H01I 0.9300 . ?
C01D C02J 1.397(19) . ?
C01E C01G 1.533(15) . ?
C01E C027 1.539(15) . ?
C01F C01N 1.187(16) . ?
C01G H01X 0.9600 . ?
C01G H01 0.9600 . ?
C01G H 0.9600 . ?
C01I H1 0.9300 . ?
C01I C01R 1.377(16) . ?
C01I C020 1.421(17) . ?
C01J C01P 1.420(15) . ?
C01K H01J 0.9600 . ?
C01K H01K 0.9600 . ?
C01K H01L 0.9600 . ?
C01L C01N 1.436(15) . ?
C01M H01M 0.9600 . ?
C01M H01N 0.9600 . ?
C01M H01O 0.9600 . ?
C01O H01P 0.9300 . ?
C01O C026 1.381(16) . ?
C01P C01R 1.385(15) . ?
C01Q C025 1.411(16) . ?
C01R H2 0.9300 . ?
C01S H01Q 0.9600 . ?
C01S H01R 0.9600 . ?
C01S H01S 0.9600 . ?
C01U H01U 0.9300 . ?
C01U C02N 1.35(2) . ?
C01V H3 0.9600 . ?
C01V HA 0.9600 . ?
C01V HB 0.9600 . ?
C01W C01X 1.389(16) . ?
C01W C02A 1.383(17) . ?
C01X H4 0.9300 . ?
C01X C029 1.349(17) . ?
C01Y H01Y 0.9300 . ?
C01Y C02F 1.3900 . ?
C01Y C02B 1.3900 . ?
C02F H02F 0.9300 . ?
C02F C02D 1.3900 . ?
C02D H02D 0.9300 . ?
C02D C02S 1.3900 . ?
C02S H02S 0.9300 . ?
C02S C00P 1.3900 . ?
C00P H00P 0.9300 . ?
C00P C02B 1.3900 . ?
C01Z H01Z 0.9300 . ?
C020 H020 0.9300 . ?
C021 H021 0.9300 . ?
C021 C026 1.359(18) . ?
C022 H022 0.9300 . ?
C022 C025 1.394(17) . ?
C023 H02A 0.9600 . ?
C023 H02B 0.9600 . ?
C023 H02C 0.9600 . ?
C025 H025 0.9300 . ?
C026 H026 0.9300 . ?
C027 H02E 0.9600 . ?
C027 H02G 0.9600 . ?
C027 H02I 0.9600 . ?
C028 H028 0.9300 . ?
C028 C029 1.383(18) . ?
C028 C02E 1.35(2) . ?
C029 H029 0.9300 . ?
C02A H02K 0.9300 . ?
C02A C02E 1.44(2) . ?
C02C H02L 0.9300 . ?
C02C C02O 1.43(2) . ?
C02E H02M 0.9300 . ?
C02G C02K 1.38(3) . ?
C02G C02M 1.35(3) . ?
C02G C02W 1.41(3) . ?
C02H H02H 0.9300 . ?
C02H C02Q 1.46(2) . ?
C02I H02O 0.9300 . ?
C02I C02L 1.38(2) . ?
C02J H02J 0.9300 . ?
C02K H02U 0.9300 . ?
C02K C02R 1.38(3) . ?
C02L H02P 0.9300 . ?
C02L C02P 1.36(2) . ?
C02M H02V 0.9300 . ?
C02M C02T 1.40(3) . ?
C02N H02N 0.9300 . ?
C02N C02Q 1.37(2) . ?
C02O H02R 0.9300 . ?
C02O C02P 1.35(2) . ?
C02P H02T 0.9300 . ?
C02Q H02Q 0.9300 . ?
C02R H02W 0.9300 . ?
C02R C02U 1.38(3) . ?
C02T H02X 0.9300 . ?
C02T C02U 1.36(3) . ?
C02U H02Y 0.9300 . ?
C02W H02Z 0.9600 . ?
C02W HC 0.9600 . ?
C02W HD 0.9600 . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C1 C2 1.54(5) . ?
C15B H15B 0.9300 . ?
C15B C12 1.3900 . ?
C15B C2 1.3900 . ?
C12 H12 0.9300 . ?
C12 C3 1.3900 . ?
C3 H3A 0.9300 . ?
C3 C5 1.3900 . ?
C5 H5 0.9300 . ?
C5 C6 1.3900 . ?
C6 H6 0.9300 . ?
C6 C2 1.3900 . ?

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
Cl04 Re01 Cl05 86.73(8) . . ?
P08 Re01 Cl04 85.91(9) . . ?
P08 Re01 Cl05 87.29(9) . . ?
P08 Re01 P09 166.39(9) . . ?
P09 Re01 Cl04 82.69(9) . . ?
P09 Re01 Cl05 84.67(9) . . ?
C01H Re01 Cl04 98.2(3) . . ?
C01H Re01 Cl05 175.1(3) . . ?
C01H Re01 P08 93.1(3) . . ?
C01H Re01 P09 95.8(3) . . ?
C01H Re01 C024 90.7(4) . . ?
C024 Re01 Cl04 170.7(3) . . ?
C024 Re01 Cl05 84.4(3) . . ?
C024 Re01 P08 91.1(3) . . ?
C024 Re01 P09 99.0(3) . . ?
Cl03 Re02 Cl06 85.65(9) . . ?
P07 Re02 Cl03 84.37(8) . . ?
P07 Re02 Cl06 88.33(9) . . ?
P07 Re02 P0A 166.92(9) . . ?
P0A Re02 Cl03 84.01(9) . . ?
P0A Re02 Cl06 84.82(9) . . ?
C00J Re02 Cl03 169.1(3) . . ?
C00J Re02 Cl06 84.4(3) . . ?
C00J Re02 P07 90.9(3) . . ?
C00J Re02 P0A 99.5(3) . . ?
C01T Re02 Cl03 99.8(3) . . ?
C01T Re02 Cl06 174.3(3) . . ?
C01T Re02 P07 93.7(3) . . ?
C01T Re02 P0A 94.2(3) . . ?
C01T Re02 C00J 90.3(4) . . ?
C00C P07 Re02 117.1(3) . . ?
C00C P07 C00G 104.9(5) . . ?
C00G P07 Re02 111.7(4) . . ?
C01V P07 Re02 113.9(4) . . ?
C01V P07 C00C 103.1(5) . . ?
C01V P07 C00G 105.0(6) . . ?
C00L P08 Re01 116.9(3) . . ?
C00L P08 C01A 101.7(6) . . ?
C01A P08 Re01 113.6(5) . . ?
C02B P08 Re01 111.4(4) . . ?
C02B P08 C00L 106.5(5) . . ?
C02B P08 C01A 105.9(6) . . ?
C00N P09 Re01 110.5(3) . . ?
C00N P09 C019 106.7(5) . . ?
C00N P09 C01S 104.4(5) . . ?
C019 P09 Re01 118.1(4) . . ?
C01S P09 Re01 113.6(4) . . ?
C01S P09 C019 102.2(6) . . ?
C01Q P0A Re02 117.9(4) . . ?
C01Q P0A C01W 107.5(5) . . ?
C01Q P0A C023 102.2(6) . . ?
C01W P0A Re02 110.4(3) . . ?
C023 P0A Re02 114.1(5) . . ?
C023 P0A C01W 103.5(6) . . ?
C00C C00B H00B 120.2 . . ?
C00K C00B H00B 120.2 . . ?
C00K C00B C00C 119.6(9) . . ?
C00B C00C P07 119.5(8) . . ?
C00F C00C P07 122.1(8) . . ?
C00F C00C C00B 118.3(9) . . ?
C00I C00D H00D 119.9 . . ?
C00I C00D C01B 120.2(9) . . ?
C01B C00D H00D 119.9 . . ?
C016 C00E C01K 109.3(10) . . ?
C016 C00E C01L 111.5(9) . . ?
C016 C00E C01M 110.1(9) . . ?
C01K C00E C01L 107.6(8) . . ?
C01K C00E C01M 108.6(10) . . ?
C01L C00E C01M 109.6(9) . . ?
C00C C00F H00F 119.4 . . ?
C00T C00F C00C 121.2(9) . . ?
C00T C00F H00F 119.4 . . ?
C02C C00G P07 122.8(10) . . ?
C02C C00G C02I 117.7(13) . . ?
C02I C00G P07 119.6(10) . . ?
C00J C00H H00H 117.6 . . ?
C00J C00H C014 124.8(10) . . ?
C014 C00H H00H 117.6 . . ?
C00D C00I H00I 119.7 . . ?
C00D C00I C00L 120.7(10) . . ?
C00L C00I H00I 119.7 . . ?
C00H C00J Re02 176.2(8) . . ?
C00B C00K H00K 119.2 . . ?
C00B C00K C00M 121.5(9) . . ?
C00M C00K H00K 119.2 . . ?
C00I C00L P08 122.0(8) . . ?
C00I C00L C018 118.3(10) . . ?
C018 C00L P08 119.5(8) . . ?
C00K C00M H00M 120.5 . . ?
C00T C00M C00K 119.0(10) . . ?
C00T C00M H00M 120.5 . . ?
C01D C00N P09 119.7(8) . . ?
C01D C00N C01Z 119.2(10) . . ?
C01Z C00N P09 120.6(8) . . ?
C018 C00O H00O 119.8 . . ?
C018 C00O C01B 120.4(10) . . ?
C01B C00O H00O 119.8 . . ?
C00V C00Q C01E 119.5(9) . . ?
C017 C00Q C00V 116.1(9) . . ?
C017 C00Q C01E 124.0(10) . . ?
C015 C00R H00R 119.5 . . ?
C015 C00R C01Q 121.0(11) . . ?
C01Q C00R H00R 119.5 . . ?
C010 C00S C01F 120.4(10) . . ?
C013 C00S C010 119.4(10) . . ?
C013 C00S C01F 120.0(9) . . ?
C00F C00T C00M 120.4(9) . . ?
C00F C00T H00T 119.8 . . ?
C00M C00T H00T 119.8 . . ?
C00Z C00U H00U 119.3 . . ?
C00Z C00U C01Z 121.4(11) . . ?
C01Z C00U H00U 119.3 . . ?
C01J C00V C00Q 173.2(11) . . ?
C015 C00W H00W 120.7 . . ?
C015 C00W C022 118.7(11) . . ?
C022 C00W H00W 120.7 . . ?
C019 C00X H00X 120.3 . . ?
C01U C00X H00X 120.3 . . ?
C01U C00X C019 119.3(12) . . ?
C01H C00Y H00Y 119.5 . . ?
C01L C00Y H00Y 119.5 . . ?
C01L C00Y C01H 121.0(10) . . ?
C00U C00Z H00Z 120.7 . . ?
C02J C00Z C00U 118.6(12) . . ?
C02J C00Z H00Z 120.7 . . ?
C00S C010 C01C 121.5(10) . . ?
C01O C010 C00S 118.1(10) . . ?
C01O C010 C01C 120.3(9) . . ?
H01T C011 H01V 109.5 . . ?
H01T C011 H01W 109.5 . . ?
H01V C011 H01W 109.5 . . ?
C01E C011 H01T 109.5 . . ?
C01E C011 H01V 109.5 . . ?
C01E C011 H01W 109.5 . . ?
C014 C012 H012 118.2 . . ?
C020 C012 H012 118.2 . . ?
C020 C012 C014 123.5(10) . . ?
C00S C013 H013 120.2 . . ?
C021 C013 C00S 119.6(11) . . ?
C021 C013 H013 120.2 . . ?
C012 C014 C00H 121.1(9) . . ?
C012 C014 C01P 116.4(10) . . ?
C01P C014 C00H 122.5(10) . . ?
C00R C015 H015 119.4 . . ?
C00W C015 C00R 121.2(12) . . ?
C00W C015 H015 119.4 . . ?
C00E C016 H01A 109.5 . . ?
C00E C016 H01B 109.5 . . ?
C00E C016 H01C 109.5 . . ?
H01A C016 H01B 109.5 . . ?
H01A C016 H01C 109.5 . . ?
H01B C016 H01C 109.5 . . ?
C00Q C017 H017 118.7 . . ?
C00Q C017 C01T 122.6(10) . . ?
C01T C017 H017 118.7 . . ?
C00L C018 H018 119.5 . . ?
C00O C018 C00L 120.9(10) . . ?
C00O C018 H018 119.5 . . ?
C00X C019 P09 117.2(10) . . ?
C02H C019 P09 120.7(11) . . ?
C02H C019 C00X 121.4(14) . . ?
P08 C01A H01D 109.5 . . ?
P08 C01A H01E 109.5 . . ?
P08 C01A H01F 109.5 . . ?
H01D C01A H01E 109.5 . . ?
H01D C01A H01F 109.5 . . ?
H01E C01A H01F 109.5 . . ?
C00D C01B H01G 120.2 . . ?
C00O C01B C00D 119.6(11) . . ?
C00O C01B H01G 120.2 . . ?
C010 C01C H01H 117.1 . . ?
C024 C01C C010 125.8(10) . . ?
C024 C01C H01H 117.1 . . ?
C00N C01D H01I 120.8 . . ?
C00N C01D C02J 118.5(11) . . ?
C02J C01D H01I 120.8 . . ?
C00Q C01E C011 107.9(8) . . ?
C00Q C01E C01G 111.0(9) . . ?
C00Q C01E C027 109.3(9) . . ?
C011 C01E C01G 111.3(10) . . ?
C011 C01E C027 108.7(9) . . ?
C01G C01E C027 108.6(9) . . ?
C01N C01F C00S 170.0(12) . . ?
C01E C01G H01X 109.5 . . ?
C01E C01G H01 109.5 . . ?
C01E C01G H 109.5 . . ?
H01X C01G H01 109.5 . . ?
H01X C01G H 109.5 . . ?
H01 C01G H 109.5 . . ?
C00Y C01H Re01 174.6(8) . . ?
C01R C01I H1 120.7 . . ?
C01R C01I C020 118.7(10) . . ?
C020 C01I H1 120.7 . . ?
C00V C01J C01P 171.5(11) . . ?
C00E C01K H01J 109.5 . . ?
C00E C01K H01K 109.5 . . ?
C00E C01K H01L 109.5 . . ?
H01J C01K H01K 109.5 . . ?
H01J C01K H01L 109.5 . . ?
H01K C01K H01L 109.5 . . ?
C00Y C01L C00E 123.8(10) . . ?
C00Y C01L C01N 118.3(9) . . ?
C01N C01L C00E 117.9(9) . . ?
C00E C01M H01M 109.5 . . ?
C00E C01M H01N 109.5 . . ?
C00E C01M H01O 109.5 . . ?
H01M C01M H01N 109.5 . . ?
H01M C01M H01O 109.5 . . ?
H01N C01M H01O 109.5 . . ?
C01F C01N C01L 173.3(11) . . ?
C010 C01O H01P 119.4 . . ?
C026 C01O C010 121.3(10) . . ?
C026 C01O H01P 119.4 . . ?
C01J C01P C014 118.0(10) . . ?
C01R C01P C014 120.0(10) . . ?
C01R C01P C01J 121.9(9) . . ?
C00R C01Q P0A 120.9(9) . . ?
C00R C01Q C025 118.7(11) . . ?
C025 C01Q P0A 120.0(10) . . ?
C01I C01R C01P 121.7(10) . . ?
C01I C01R H2 119.1 . . ?
C01P C01R H2 119.1 . . ?
P09 C01S H01Q 109.5 . . ?
P09 C01S H01R 109.5 . . ?
P09 C01S H01S 109.5 . . ?
H01Q C01S H01R 109.5 . . ?
H01Q C01S H01S 109.5 . . ?
H01R C01S H01S 109.5 . . ?
C017 C01T Re02 174.0(8) . . ?
C00X C01U H01U 119.1 . . ?
C02N C01U C00X 121.9(14) . . ?
C02N C01U H01U 119.1 . . ?
P07 C01V H3 109.5 . . ?
P07 C01V HA 109.5 . . ?
P07 C01V HB 109.5 . . ?
H3 C01V HA 109.5 . . ?
H3 C01V HB 109.5 . . ?
HA C01V HB 109.5 . . ?
C01X C01W P0A 122.2(9) . . ?
C02A C01W P0A 116.2(9) . . ?
C02A C01W C01X 121.4(11) . . ?
C01W C01X H4 120.4 . . ?
C029 C01X C01W 119.2(12) . . ?
C029 C01X H4 120.4 . . ?
C02F C01Y H01Y 120.0 . . ?
C02F C01Y C02B 120.0 . . ?
C02B C01Y H01Y 120.0 . . ?
C01Y C02F H02F 120.0 . . ?
C01Y C02F C02D 120.0 . . ?
C02D C02F H02F 120.0 . . ?
C02F C02D H02D 120.0 . . ?
C02S C02D C02F 120.0 . . ?
C02S C02D H02D 120.0 . . ?
C02D C02S H02S 120.0 . . ?
C02D C02S C00P 120.0 . . ?
C00P C02S H02S 120.0 . . ?
C02S C00P H00P 120.0 . . ?
C02B C00P C02S 120.0 . . ?
C02B C00P H00P 120.0 . . ?
C01Y C02B P08 119.5(5) . . ?
C00P C02B P08 120.3(5) . . ?
C00P C02B C01Y 120.0 . . ?
C00N C01Z H01Z 120.1 . . ?
C00U C01Z C00N 119.7(11) . . ?
C00U C01Z H01Z 120.1 . . ?
C012 C020 C01I 119.2(11) . . ?
C012 C020 H020 120.4 . . ?
C01I C020 H020 120.4 . . ?
C013 C021 H021 119.5 . . ?
C026 C021 C013 121.1(12) . . ?
C026 C021 H021 119.5 . . ?
C00W C022 H022 119.4 . . ?
C00W C022 C025 121.1(12) . . ?
C025 C022 H022 119.4 . . ?
P0A C023 H02A 109.5 . . ?
P0A C023 H02B 109.5 . . ?
P0A C023 H02C 109.5 . . ?
H02A C023 H02B 109.5 . . ?
H02A C023 H02C 109.5 . . ?
H02B C023 H02C 109.5 . . ?
C01C C024 Re01 174.4(9) . . ?
C01Q C025 H025 120.5 . . ?
C022 C025 C01Q 119.0(12) . . ?
C022 C025 H025 120.5 . . ?
C01O C026 H026 119.9 . . ?
C021 C026 C01O 120.2(11) . . ?
C021 C026 H026 119.9 . . ?
C01E C027 H02E 109.5 . . ?
C01E C027 H02G 109.5 . . ?
C01E C027 H02I 109.5 . . ?
H02E C027 H02G 109.5 . . ?
H02E C027 H02I 109.5 . . ?
H02G C027 H02I 109.5 . . ?
C029 C028 H028 120.7 . . ?
C02E C028 H028 120.7 . . ?
C02E C028 C029 118.6(12) . . ?
C01X C029 C028 122.5(13) . . ?
C01X C029 H029 118.7 . . ?
C028 C029 H029 118.7 . . ?
C01W C02A H02K 121.6 . . ?
C01W C02A C02E 116.7(12) . . ?
C02E C02A H02K 121.6 . . ?
C00G C02C H02L 120.4 . . ?
C00G C02C C02O 119.2(13) . . ?
C02O C02C H02L 120.4 . . ?
C028 C02E C02A 121.5(12) . . ?
C028 C02E H02M 119.3 . . ?
C02A C02E H02M 119.3 . . ?
C02K C02G C02W 119(2) . . ?
C02M C02G C02K 120(2) . . ?
C02M C02G C02W 120(2) . . ?
C019 C02H H02H 121.6 . . ?
C019 C02H C02Q 116.8(15) . . ?
C02Q C02H H02H 121.6 . . ?
C00G C02I H02O 118.5 . . ?
C00G C02I C02L 123.0(13) . . ?
C02L C02I H02O 118.5 . . ?
C00Z C02J C01D 122.6(14) . . ?
C00Z C02J H02J 118.7 . . ?
C01D C02J H02J 118.7 . . ?
C02G C02K H02U 120.0 . . ?
C02R C02K C02G 120(2) . . ?
C02R C02K H02U 120.0 . . ?
C02I C02L H02P 120.6 . . ?
C02P C02L C02I 118.8(14) . . ?
C02P C02L H02P 120.6 . . ?
C02G C02M H02V 118.9 . . ?
C02G C02M C02T 122(2) . . ?
C02T C02M H02V 118.9 . . ?
C01U C02N H02N 120.0 . . ?
C01U C02N C02Q 120.0(16) . . ?
C02Q C02N H02N 120.0 . . ?
C02C C02O H02R 119.4 . . ?
C02P C02O C02C 121.3(15) . . ?
C02P C02O H02R 119.4 . . ?
C02L C02P H02T 120.0 . . ?
C02O C02P C02L 119.9(16) . . ?
C02O C02P H02T 120.0 . . ?
C02H C02Q H02Q 120.0 . . ?
C02N C02Q C02H 120.0(16) . . ?
C02N C02Q H02Q 120.0 . . ?
C02K C02R H02W 121.6 . . ?
C02K C02R C02U 117(2) . . ?
C02U C02R H02W 121.6 . . ?
C02M C02T H02X 122.6 . . ?
C02U C02T C02M 115(2) . . ?
C02U C02T H02X 122.6 . . ?
C02R C02U H02Y 117.0 . . ?
C02T C02U C02R 126(2) . . ?
C02T C02U H02Y 117.0 . . ?
C02G C02W H02Z 109.5 . . ?
C02G C02W HC 109.5 . . ?
C02G C02W HD 109.5 . . ?
H02Z C02W HC 109.5 . . ?
H02Z C02W HD 109.5 . . ?
HC C02W HD 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C2 C1 H1A 109.5 . . ?
C2 C1 H1B 109.5 . . ?
C2 C1 H1C 109.5 . . ?
C12 C15B H15B 120.0 . . ?
C12 C15B C2 120.0 . . ?
C2 C15B H15B 120.0 . . ?
C15B C12 H12 120.0 . . ?
C3 C12 C15B 120.0 . . ?
C3 C12 H12 120.0 . . ?
C12 C3 H3A 120.0 . . ?
C12 C3 C5 120.0 . . ?
C5 C3 H3A 120.0 . . ?
C3 C5 H5 120.0 . . ?
C6 C5 C3 120.0 . . ?
C6 C5 H5 120.0 . . ?
C5 C6 H6 120.0 . . ?
C5 C6 C2 120.0 . . ?
C2 C6 H6 120.0 . . ?
C15B C2 C1 124(2) . . ?
C6 C2 C1 116(2) . . ?
C6 C2 C15B 120.0 . . ?

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
Re01 P08 C00L C00I -15.9(10) . . . . ?
Re01 P08 C00L C018 169.2(7) . . . . ?
Re01 P08 C02B C01Y 100.2(5) . . . . ?
Re01 P08 C02B C00P -74.7(6) . . . . ?
Re01 P09 C00N C01D 90.7(9) . . . . ?
Re01 P09 C00N C01Z -81.6(9) . . . . ?
Re01 P09 C019 C00X -41.6(12) . . . . ?
Re01 P09 C019 C02H 147.3(11) . . . . ?
Re02 P07 C00C C00B 175.4(6) . . . . ?
Re02 P07 C00C C00F -9.3(9) . . . . ?
Re02 P07 C00G C02C 107.9(12) . . . . ?
Re02 P07 C00G C02I -69.9(12) . . . . ?
Re02 P0A C01Q C00R -23.8(11) . . . . ?
Re02 P0A C01Q C025 163.4(9) . . . . ?
Re02 P0A C01W C01X -102.5(9) . . . . ?
Re02 P0A C01W C02A 72.0(9) . . . . ?
P07 C00C C00F C00T -174.3(8) . . . . ?
P07 C00G C02C C02O -175.7(11) . . . . ?
P07 C00G C02I C02L 174.5(12) . . . . ?
P08 C00L C018 C00O 171.7(9) . . . . ?
P09 C00N C01D C02J -173.3(10) . . . . ?
P09 C00N C01Z C00U 173.3(8) . . . . ?
P09 C019 C02H C02Q 179.9(11) . . . . ?
P0A C01Q C025 C022 179.5(11) . . . . ?
P0A C01W C01X C029 176.0(9) . . . . ?
P0A C01W C02A C02E -174.0(9) . . . . ?
C00B C00C C00F C00T 1.0(14) . . . . ?
C00B C00K C00M C00T 0.4(16) . . . . ?
C00C P07 C00G C02C -124.3(12) . . . . ?
C00C P07 C00G C02I 57.8(12) . . . . ?
C00C C00B C00K C00M 0.7(15) . . . . ?
C00C C00F C00T C00M 0.1(15) . . . . ?
C00D C00I C00L P08 -173.0(8) . . . . ?
C00D C00I C00L C018 1.9(15) . . . . ?
C00G P07 C00C C00B 51.0(9) . . . . ?
C00G P07 C00C C00F -133.7(9) . . . . ?
C00G C02C C02O C02P 0(2) . . . . ?
C00G C02I C02L C02P 3(2) . . . . ?
C00H C014 C01P C01J -8.0(16) . . . . ?
C00H C014 C01P C01R 175.3(10) . . . . ?
C00I C00D C01B C00O -0.6(15) . . . . ?
C00I C00L C018 C00O -3.4(15) . . . . ?
C00J C00H C014 C012 138.6(12) . . . . ?
C00J C00H C014 C01P -42.6(16) . . . . ?
C00K C00B C00C P07 174.0(8) . . . . ?
C00K C00B C00C C00F -1.5(14) . . . . ?
C00K C00M C00T C00F -0.9(16) . . . . ?
C00L P08 C02B C01Y -131.4(6) . . . . ?
C00L P08 C02B C00P 53.8(7) . . . . ?
C00N P09 C019 C00X -166.8(10) . . . . ?
C00N P09 C019 C02H 22.2(13) . . . . ?
C00N C01D C02J C00Z 1(2) . . . . ?
C00R C01Q C025 C022 6.5(19) . . . . ?
C00S C010 C01C C024 -39.4(16) . . . . ?
C00S C010 C01O C026 2.3(17) . . . . ?
C00S C013 C021 C026 3(2) . . . . ?
C00U C00Z C02J C01D -2(2) . . . . ?
C00V C00Q C017 C01T 6.9(14) . . . . ?
C00V C00Q C01E C011 73.7(11) . . . . ?
C00V C00Q C01E C01G -164.1(9) . . . . ?
C00V C00Q C01E C027 -44.4(12) . . . . ?
C00W C022 C025 C01Q -5(2) . . . . ?
C00X C019 C02H C02Q 9(2) . . . . ?
C00X C01U C02N C02Q 2(2) . . . . ?
C00Z C00U C01Z C00N -1.4(18) . . . . ?
C010 C00S C013 C021 2(2) . . . . ?
C010 C01O C026 C021 2(2) . . . . ?
C012 C014 C01P C01J 170.8(10) . . . . ?
C012 C014 C01P C01R -5.8(16) . . . . ?
C013 C00S C010 C01C 176.4(11) . . . . ?
C013 C00S C010 C01O -4.4(17) . . . . ?
C013 C021 C026 C01O -5(2) . . . . ?
C014 C012 C020 C01I 2(2) . . . . ?
C014 C01P C01R C01I 2.1(17) . . . . ?
C015 C00R C01Q P0A -176.7(9) . . . . ?
C015 C00R C01Q C025 -3.8(18) . . . . ?
C015 C00W C022 C025 0(2) . . . . ?
C016 C00E C01L C00Y 23.5(15) . . . . ?
C016 C00E C01L C01N -160.0(10) . . . . ?
C017 C00Q C01E C011 -98.4(11) . . . . ?
C017 C00Q C01E C01G 23.8(13) . . . . ?
C017 C00Q C01E C027 143.5(10) . . . . ?
C018 C00O C01B C00D -0.8(16) . . . . ?
C019 P09 C00N C01D -139.7(10) . . . . ?
C019 P09 C00N C01Z 48.1(11) . . . . ?
C019 C00X C01U C02N 1(2) . . . . ?
C019 C02H C02Q C02N -5(2) . . . . ?
C01A P08 C00L C00I 108.3(9) . . . . ?
C01A P08 C00L C018 -66.6(10) . . . . ?
C01A P08 C02B C01Y -23.7(8) . . . . ?
C01A P08 C02B C00P 161.4(7) . . . . ?
C01B C00D C00I C00L 0.0(15) . . . . ?
C01B C00O C018 C00L 2.9(17) . . . . ?
C01C C010 C01O C026 -178.4(11) . . . . ?
C01D C00N C01Z C00U 1.0(17) . . . . ?
C01E C00Q C017 C01T 179.3(9) . . . . ?
C01F C00S C010 C01C -9.2(16) . . . . ?
C01F C00S C010 C01O 170.0(10) . . . . ?
C01F C00S C013 C021 -172.5(13) . . . . ?
C01H C00Y C01L C00E -176.7(10) . . . . ?
C01H C00Y C01L C01N 6.8(15) . . . . ?
C01J C01P C01R C01I -174.4(10) . . . . ?
C01K C00E C01L C00Y -96.4(13) . . . . ?
C01K C00E C01L C01N 80.1(13) . . . . ?
C01M C00E C01L C00Y 145.7(11) . . . . ?
C01M C00E C01L C01N -37.8(13) . . . . ?
C01O C010 C01C C024 141.4(12) . . . . ?
C01Q P0A C01W C01X 27.3(10) . . . . ?
C01Q P0A C01W C02A -158.2(9) . . . . ?
C01Q C00R C015 C00W -0.8(18) . . . . ?
C01R C01I C020 C012 -6.1(19) . . . . ?
C01S P09 C00N C01D -31.9(11) . . . . ?
C01S P09 C00N C01Z 155.9(9) . . . . ?
C01S P09 C019 C00X 83.9(11) . . . . ?
C01S P09 C019 C02H -87.2(13) . . . . ?
C01U C00X C019 P09 -178.6(10) . . . . ?
C01U C00X C019 C02H -8(2) . . . . ?
C01U C02N C02Q C02H 0(2) . . . . ?
C01V P07 C00C C00B -58.7(9) . . . . ?
C01V P07 C00C C00F 116.5(9) . . . . ?
C01V P07 C00G C02C -15.9(13) . . . . ?
C01V P07 C00G C02I 166.2(11) . . . . ?
C01W P0A C01Q C00R -149.2(10) . . . . ?
C01W P0A C01Q C025 37.9(11) . . . . ?
C01W C01X C029 C028 -2.0(17) . . . . ?
C01W C02A C02E C028 -3.0(19) . . . . ?
C01X C01W C02A C02E 0.6(17) . . . . ?
C01Y C02F C02D C02S 0.0 . . . . ?
C02F C01Y C02B P08 -174.9(8) . . . . ?
C02F C01Y C02B C00P 0.0 . . . . ?
C02F C02D C02S C00P 0.0 . . . . ?
C02D C02S C00P C02B 0.0 . . . . ?
C02S C00P C02B P08 174.8(8) . . . . ?
C02S C00P C02B C01Y 0.0 . . . . ?
C02B P08 C00L C00I -141.1(8) . . . . ?
C02B P08 C00L C018 44.0(9) . . . . ?
C02B C01Y C02F C02D 0.0 . . . . ?
C01Z C00N C01D C02J -1.0(18) . . . . ?
C01Z C00U C00Z C02J 1.7(19) . . . . ?
C020 C012 C014 C00H -177.5(12) . . . . ?
C020 C012 C014 C01P 3.7(19) . . . . ?
C020 C01I C01R C01P 4.0(18) . . . . ?
C022 C00W C015 C00R 2.6(19) . . . . ?
C023 P0A C01Q C00R 102.2(11) . . . . ?
C023 P0A C01Q C025 -70.7(12) . . . . ?
C023 P0A C01W C01X 135.0(10) . . . . ?
C023 P0A C01W C02A -50.5(10) . . . . ?
C029 C028 C02E C02A 3.0(19) . . . . ?
C02A C01W C01X C029 1.8(16) . . . . ?
C02C C00G C02I C02L -3(2) . . . . ?
C02C C02O C02P C02L -1(3) . . . . ?
C02E C028 C029 C01X -0.4(18) . . . . ?
C02G C02K C02R C02U -1(3) . . . . ?
C02G C02M C02T C02U -4(3) . . . . ?
C02I C00G C02C C02O 2(2) . . . . ?
C02I C02L C02P C02O -1(2) . . . . ?
C02K C02G C02M C02T 5(3) . . . . ?
C02K C02R C02U C02T 2(3) . . . . ?
C02M C02G C02K C02R -2(3) . . . . ?
C02M C02T C02U C02R 0(3) . . . . ?
C02W C02G C02K C02R -177.6(18) . . . . ?
C02W C02G C02M C02T -179.7(18) . . . . ?
C15B C12 C3 C5 0.0 . . . . ?
C12 C15B C2 C1 -180(3) . . . . ?
C12 C15B C2 C6 0.0 . . . . ?
C12 C3 C5 C6 0.0 . . . . ?
C3 C5 C6 C2 0.0 . . . . ?
C5 C6 C2 C1 180(3) . . . . ?
C5 C6 C2 C15B 0.0 . . . . ?
C2 C15B C12 C3 0.0 . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.483
_oxdiff_exptl_absorpt_empirical_full_min 0.796
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.860(13)
2 0.140(13)

####################################################################### 
# 
# 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_exp_13523
_database_code_depnum_ccdc_archive 'CCDC 2152928'
loop_
_audit_author_name
_audit_author_address
'Jiangxi CHEN'
;Xiamen University
China
;
_audit_update_record             
;
2022-03-25 deposited with the CCDC.	2022-04-14 downloaded from the CCDC.
;
_audit_creation_date             2022-03-26
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C59 H62 Cl2 P3 Re Si, C H2 Cl2'
_chemical_formula_sum            'C60 H64 Cl4 P3 Re Si'
_chemical_formula_weight         1234.11
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C40 H64 Cl4 P3 Re Si'
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'
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'
Si Si 0.0817 0.0704 '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/n 1'
_space_group_name_Hall           '-P 2yn'
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'

_cell_length_a                   16.2507(3)
_cell_length_b                   20.9637(2)
_cell_length_c                   18.1840(3)
_cell_angle_alpha                90
_cell_angle_beta                 115.618(2)
_cell_angle_gamma                90
_cell_volume                     5585.86(17)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    18271
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      30.3170
_cell_measurement_theta_min      3.6240
_shelx_estimated_absorpt_T_max   0.885
_shelx_estimated_absorpt_T_min   0.753
_exptl_absorpt_coefficient_mu    2.512
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.62453
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.53 (Rigaku Oxford Diffraction, 2019)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            pink
_exptl_crystal_colour_lustre     .
_exptl_crystal_colour_modifier   .
_exptl_crystal_colour_primary    pink
_exptl_crystal_density_diffrn    1.467
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             2504
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0219
_diffrn_reflns_av_unetI/netI     0.0331
_diffrn_reflns_Laue_measured_fraction_full 0.987
_diffrn_reflns_Laue_measured_fraction_max 0.847
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            30022
_diffrn_reflns_point_group_measured_fraction_full 0.987
_diffrn_reflns_point_group_measured_fraction_max 0.847
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.515
_diffrn_reflns_theta_min         3.393
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.4741
_diffrn_detector_type            Atlas
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.847
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     -9.00  21.00   1.00   15.00    --   14.63 -99.00-180.00   30
  2  ω    -43.00  43.00   1.00   15.00    --   14.63 -57.00-180.00   86
  3  ω    -51.00  40.00   1.00   15.00    --   14.63 -57.00 -60.00   91
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0295371000
_diffrn_orient_matrix_UB_12      0.0123689000
_diffrn_orient_matrix_UB_13      0.0160004000
_diffrn_orient_matrix_UB_21      -0.0351517000
_diffrn_orient_matrix_UB_22      -0.0207094000
_diffrn_orient_matrix_UB_23      -0.0258018000
_diffrn_orient_matrix_UB_31      0.0153000000
_diffrn_orient_matrix_UB_32      -0.0237106000
_diffrn_orient_matrix_UB_33      0.0308577000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                13233
_reflns_number_total             14449
_reflns_odcompleteness_completeness 97.09
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     27.42
_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       'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_computing_data_collection       'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_computing_data_reduction        'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_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    'SHELXT  (Sheldrick, 2015)'
_refine_diff_density_max         1.489
_refine_diff_density_min         -1.218
_refine_diff_density_rms         0.087
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     631
_refine_ls_number_reflns         14449
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0275
_refine_ls_R_factor_gt           0.0237
_refine_ls_restrained_S_all      1.042
_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)+(0.0198P)²+3.3496P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0518
_refine_ls_wR_factor_ref         0.0537
_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 Secondary CH2 refined with riding coordinates:
 C01X(H3aa,He)
2.b Aromatic/amide H refined with riding coordinates:
 C00F(H00F), C00J(H00J), C00K(H00K), C00L(H00L), C00N(H00N), C00P(H00P),
 C00V(H00V), C00W(H00W), C00Y(H00Y), C00Z(H00Z), C010(H010), C011(H011),
 C012(H012), C013(H013), C014(H014), C015(H015), C016(H016), C019(H019),
 C01A(H01d), C01C(H01h), C01D(H01i), C01E(H01j), C01G(H01k), C01H(H01l),
 C01I(H01m), C01J(H01n), C01K(H01o), C01L(H01p), C01M(H01q), C01O(H01u),
 C01P(H01v), C01Q(H01w), C01S(H01z), C01T(H01), C01W(H2aa)
2.c Idealised Me refined as rotating group:
 C00D(H00a,H00b,H00c), C00M(H00d,H00e,H00g), C00O(H00h,H00i,H00m), C017(H01a,
 H01b,H01c), C01B(H01e,H01f,H01g), C01N(H01r,H01s,H01t), C01R(H01x,H01y,H),
 C01U(H0aa,Ha,Hb), C01V(H1aa,Hc,Hd)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_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
Re01 Re 0.73505(2) 0.60777(2) 0.31132(2) 0.00817(3) Uani 1 1 d . . . . .
Cl02 Cl 0.66149(3) 0.52949(2) 0.20124(3) 0.01338(9) Uani 1 1 d . . . . .
Cl03 Cl 0.87546(3) 0.57707(2) 0.29033(3) 0.01442(9) Uani 1 1 d . . . . .
P04 P 0.66834(3) 0.68835(2) 0.20240(3) 0.01039(10) Uani 1 1 d . . . . .
P05 P 0.84460(3) 0.67582(2) 0.41278(3) 0.01010(9) Uani 1 1 d . . . . .
P06 P 0.76816(3) 0.51414(2) 0.40039(3) 0.01013(10) Uani 1 1 d . . . . .
Si Si 0.07509(4) 0.61861(3) 0.18550(4) 0.01406(11) Uani 1 1 d . . . . .
Cl08 Cl 0.28450(4) 0.34567(3) 0.22590(4) 0.03279(14) Uani 1 1 d . . . . .
Cl09 Cl 0.11796(5) 0.39749(4) 0.09800(4) 0.04251(17) Uani 1 1 d . . . . .
C00A C 0.64904(13) 0.62976(9) 0.34131(12) 0.0097(4) Uani 1 1 d . . . . .
C00B C 0.89313(13) 0.74551(9) 0.38353(12) 0.0139(4) Uani 1 1 d . . . . .
C00C C 0.79602(14) 0.52551(9) 0.50865(12) 0.0124(4) Uani 1 1 d . . . . .
C00D C 0.55120(13) 0.66569(10) 0.13492(12) 0.0148(4) Uani 1 1 d . . . . .
H00A H 0.5518 0.6302 0.1017 0.022 Uiso 1 1 calc GR . . . .
H00B H 0.5205 0.7011 0.1006 0.022 Uiso 1 1 calc GR . . . .
H00C H 0.5198 0.6538 0.1670 0.022 Uiso 1 1 calc GR . . . .
C00E C 0.80844(13) 0.71032(9) 0.48587(12) 0.0118(4) Uani 1 1 d . . . . .
C00F C 0.58878(13) 0.64786(9) 0.37629(12) 0.0112(4) Uani 1 1 d . . . . .
H00F H 0.6146 0.6695 0.4258 0.013 Uiso 1 1 calc R . . . .
C00G C 0.70669(13) 0.70433(9) 0.12319(12) 0.0130(4) Uani 1 1 d . . . . .
C00H C 0.65088(14) 0.76767(9) 0.23500(12) 0.0132(4) Uani 1 1 d . . . . .
C00I C 0.67344(14) 0.45801(9) 0.37576(12) 0.0128(4) Uani 1 1 d . . . . .
C00J C 0.58354(14) 0.47827(10) 0.33358(13) 0.0158(4) Uani 1 1 d . . . . .
H00J H 0.5714 0.5190 0.3110 0.019 Uiso 1 1 calc R . . . .
C00K C 0.76496(15) 0.66226(10) 0.10980(13) 0.0177(4) Uani 1 1 d . . . . .
H00K H 0.7932 0.6297 0.1469 0.021 Uiso 1 1 calc R . . . .
C00L C 0.74166(14) 0.75816(10) 0.46029(13) 0.0156(4) Uani 1 1 d . . . . .
H00L H 0.7160 0.7716 0.4062 0.019 Uiso 1 1 calc R . . . .
C00M C 0.95268(13) 0.63728(10) 0.47769(13) 0.0145(4) Uani 1 1 d . . . . .
H00D H 0.9410 0.5994 0.5013 0.022 Uiso 1 1 calc GR . . . .
H00E H 0.9895 0.6661 0.5203 0.022 Uiso 1 1 calc GR . . . .
H00G H 0.9843 0.6261 0.4455 0.022 Uiso 1 1 calc GR . . . .
C00N C 0.84482(15) 0.69022(10) 0.56698(13) 0.0168(4) Uani 1 1 d . . . . .
H00N H 0.8891 0.6584 0.5850 0.020 Uiso 1 1 calc R . . . .
C00O C 0.86088(14) 0.46424(10) 0.40385(13) 0.0165(4) Uani 1 1 d . . . . .
H00H H 0.8464 0.4481 0.3503 0.025 Uiso 1 1 calc GR . . . .
H00I H 0.8694 0.4292 0.4405 0.025 Uiso 1 1 calc GR . . . .
H00M H 0.9159 0.4890 0.4227 0.025 Uiso 1 1 calc GR . . . .
C00P C 0.72810(14) 0.54600(10) 0.53078(13) 0.0158(4) Uani 1 1 d . . . . .
H00P H 0.6692 0.5527 0.4906 0.019 Uiso 1 1 calc R . . . .
C00Q C 0.49756(13) 0.63668(9) 0.34444(12) 0.0118(4) Uani 1 1 d . . . . .
C00R C 0.40779(13) 0.58030(9) 0.20280(13) 0.0131(4) Uani 1 1 d . . . . .
C00S C 0.26549(13) 0.55187(9) 0.08297(12) 0.0129(4) Uani 1 1 d . . . . .
C00T C 0.36185(13) 0.55174(9) 0.12405(12) 0.0121(4) Uani 1 1 d . . . . .
C00U C 0.21130(13) 0.57530(9) 0.12204(12) 0.0137(4) Uani 1 1 d . . . . .
C00V C 0.41191(14) 0.52492(10) 0.08560(13) 0.0156(4) Uani 1 1 d . . . . .
H00V H 0.4752 0.5234 0.1128 0.019 Uiso 1 1 calc R . . . .
C00W C 0.90594(14) 0.80448(10) 0.42294(13) 0.0169(4) Uani 1 1 d . . . . .
H00W H 0.8861 0.8105 0.4634 0.020 Uiso 1 1 calc R . . . .
C00X C 0.45043(13) 0.60617(9) 0.26714(13) 0.0124(4) Uani 1 1 d . . . . .
C00Y C 0.88340(14) 0.51461(10) 0.57058(13) 0.0161(4) Uani 1 1 d . . . . .
H00Y H 0.9291 0.4996 0.5572 0.019 Uiso 1 1 calc R . . . .
C00Z C 0.92465(15) 0.73753(10) 0.32360(13) 0.0178(4) Uani 1 1 d . . . . .
H00Z H 0.9167 0.6987 0.2967 0.021 Uiso 1 1 calc R . . . .
C010 C 0.66545(14) 0.75290(10) 0.06629(13) 0.0169(4) Uani 1 1 d . . . . .
H010 H 0.6273 0.7819 0.0751 0.020 Uiso 1 1 calc R . . . .
C011 C 0.71363(15) 0.78556(10) 0.51484(14) 0.0191(4) Uani 1 1 d . . . . .
H011 H 0.6701 0.8178 0.4975 0.023 Uiso 1 1 calc R . . . .
C012 C 0.71432(15) 0.81665(10) 0.25029(13) 0.0170(4) Uani 1 1 d . . . . .
H012 H 0.7653 0.8101 0.2405 0.020 Uiso 1 1 calc R . . . .
C013 C 0.51186(14) 0.43840(10) 0.32489(14) 0.0182(4) Uani 1 1 d . . . . .
H013 H 0.4521 0.4529 0.2979 0.022 Uiso 1 1 calc R . . . .
C014 C 0.27310(15) 0.50293(10) -0.03461(13) 0.0180(4) Uani 1 1 d . . . . .
H014 H 0.2440 0.4879 -0.0879 0.022 Uiso 1 1 calc R . . . .
C015 C 0.57389(14) 0.77922(10) 0.24895(13) 0.0172(4) Uani 1 1 d . . . . .
H015 H 0.5306 0.7472 0.2387 0.021 Uiso 1 1 calc R . . . .
C016 C 0.36766(15) 0.50055(10) 0.00714(14) 0.0185(4) Uani 1 1 d . . . . .
H016 H 0.4015 0.4825 -0.0177 0.022 Uiso 1 1 calc R . . . .
C017 C -0.01320(14) 0.55493(10) 0.14838(13) 0.0169(4) Uani 1 1 d . . . . .
H01A H -0.0429 0.5555 0.0899 0.025 Uiso 1 1 calc GR . . . .
H01B H -0.0574 0.5623 0.1693 0.025 Uiso 1 1 calc GR . . . .
H01C H 0.0152 0.5142 0.1669 0.025 Uiso 1 1 calc GR . . . .
C018 C 0.16317(14) 0.59325(10) 0.15303(13) 0.0164(4) Uani 1 1 d . . . . .
C019 C 0.70199(17) 0.87534(10) 0.28015(14) 0.0235(5) Uani 1 1 d . . . . .
H019 H 0.7452 0.9074 0.2910 0.028 Uiso 1 1 calc R . . . .
C01A C 0.68974(15) 0.39596(10) 0.40653(14) 0.0184(4) Uani 1 1 d . . . . .
H01D H 0.7494 0.3815 0.4344 0.022 Uiso 1 1 calc R . . . .
C01B C 0.12458(15) 0.63106(11) 0.29779(14) 0.0213(5) Uani 1 1 d . . . . .
H01E H 0.0764 0.6326 0.3148 0.032 Uiso 1 1 calc GR . . . .
H01F H 0.1578 0.6705 0.3115 0.032 Uiso 1 1 calc GR . . . .
H01G H 0.1651 0.5965 0.3249 0.032 Uiso 1 1 calc GR . . . .
C01C C 0.74734(16) 0.55652(10) 0.61197(14) 0.0205(5) Uani 1 1 d . . . . .
H01H H 0.7013 0.5698 0.6259 0.025 Uiso 1 1 calc R . . . .
C01D C 0.73856(15) 0.71621(11) -0.01524(13) 0.0205(5) Uani 1 1 d . . . . .
H01I H 0.7489 0.7197 -0.0616 0.025 Uiso 1 1 calc R . . . .
C01E C 0.22244(14) 0.52776(10) 0.00329(13) 0.0160(4) Uani 1 1 d . . . . .
H01J H 0.1591 0.5285 -0.0244 0.019 Uiso 1 1 calc R . . . .
C01F C 0.43883(14) 0.65544(10) 0.38791(13) 0.0147(4) Uani 1 1 d . . . . .
C01G C 0.61769(15) 0.35572(10) 0.39594(14) 0.0207(5) Uani 1 1 d . . . . .
H01K H 0.6293 0.3141 0.4156 0.025 Uiso 1 1 calc R . . . .
C01H C 0.81523(16) 0.71754(11) 0.62099(14) 0.0228(5) Uani 1 1 d . . . . .
H01L H 0.8395 0.7036 0.6748 0.027 Uiso 1 1 calc R . . . .
C01I C 0.68032(15) 0.75870(11) -0.00274(13) 0.0201(5) Uani 1 1 d . . . . .
H01M H 0.6515 0.7908 -0.0405 0.024 Uiso 1 1 calc R . . . .
C01J C 0.62567(18) 0.88595(10) 0.29372(15) 0.0266(5) Uani 1 1 d . . . . .
H01N H 0.6175 0.9252 0.3134 0.032 Uiso 1 1 calc R . . . .
C01K C 0.75021(16) 0.76518(10) 0.59553(14) 0.0217(5) Uani 1 1 d . . . . .
H01O H 0.7310 0.7835 0.6320 0.026 Uiso 1 1 calc R . . . .
C01L C 0.52897(15) 0.37714(10) 0.35628(13) 0.0185(4) Uani 1 1 d . . . . .
H01P H 0.4808 0.3505 0.3506 0.022 Uiso 1 1 calc R . . . .
C01M C 0.78122(15) 0.66874(11) 0.04113(14) 0.0214(5) Uani 1 1 d . . . . .
H01Q H 0.8211 0.6409 0.0331 0.026 Uiso 1 1 calc R . . . .
C01N C 0.49356(15) 0.69081(12) 0.46756(14) 0.0233(5) Uani 1 1 d . . . . .
H01R H 0.5417 0.6638 0.5038 0.035 Uiso 1 1 calc GR . . . .
H01S H 0.4541 0.7021 0.4924 0.035 Uiso 1 1 calc GR . . . .
H01T H 0.5193 0.7288 0.4566 0.035 Uiso 1 1 calc GR . . . .
C01O C 0.83561(16) 0.54715(11) 0.67263(14) 0.0229(5) Uani 1 1 d . . . . .
H01U H 0.8490 0.5552 0.7269 0.028 Uiso 1 1 calc R . . . .
C01P C 0.94827(16) 0.85421(10) 0.40185(14) 0.0222(5) Uani 1 1 d . . . . .
H01V H 0.9561 0.8933 0.4282 0.027 Uiso 1 1 calc R . . . .
C01Q C 0.56162(16) 0.83820(11) 0.27805(14) 0.0229(5) Uani 1 1 d . . . . .
H01W H 0.5102 0.8455 0.2870 0.027 Uiso 1 1 calc R . . . .
C01R C 0.02724(17) 0.69528(10) 0.13301(16) 0.0256(5) Uani 1 1 d . . . . .
H01X H 0.0048 0.6897 0.0752 0.038 Uiso 1 1 calc GR . . . .
H01Y H 0.0741 0.7273 0.1513 0.038 Uiso 1 1 calc GR . . . .
H H -0.0219 0.7085 0.1455 0.038 Uiso 1 1 calc GR . . . .
C01S C 0.90298(16) 0.52590(10) 0.65167(14) 0.0213(5) Uani 1 1 d . . . . .
H01Z H 0.9617 0.5191 0.6920 0.026 Uiso 1 1 calc R . . . .
C01T C 0.96785(16) 0.78765(11) 0.30438(15) 0.0237(5) Uani 1 1 d . . . . .
H01 H 0.9898 0.7818 0.2654 0.028 Uiso 1 1 calc R . . . .
C01U C 0.36148(16) 0.69887(12) 0.33140(16) 0.0281(5) Uani 1 1 d . . . . .
H0AA H 0.3868 0.7372 0.3207 0.042 Uiso 1 1 calc GR . . . .
HA H 0.3226 0.7095 0.3571 0.042 Uiso 1 1 calc GR . . . .
HB H 0.3265 0.6771 0.2810 0.042 Uiso 1 1 calc GR . . . .
C01V C 0.39790(17) 0.59428(11) 0.40536(16) 0.0262(5) Uani 1 1 d . . . . .
H1AA H 0.3613 0.5731 0.3549 0.039 Uiso 1 1 calc GR . . . .
HC H 0.3606 0.6051 0.4325 0.039 Uiso 1 1 calc GR . . . .
HD H 0.4463 0.5665 0.4395 0.039 Uiso 1 1 calc GR . . . .
C01W C 0.97864(17) 0.84636(11) 0.34273(15) 0.0265(5) Uani 1 1 d . . . . .
H2AA H 1.0062 0.8800 0.3285 0.032 Uiso 1 1 calc R . . . .
C01X C 0.23625(19) 0.40740(13) 0.15395(17) 0.0333(6) Uani 1 1 d . . . . .
H3AA H 0.2483 0.4481 0.1820 0.040 Uiso 1 1 calc R . . . .
HE H 0.2648 0.4079 0.1168 0.040 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
Re01 Cl02 2.4617(5) . ?
Re01 Cl03 2.5534(5) . ?
Re01 P04 2.4688(5) . ?
Re01 P05 2.4015(5) . ?
Re01 P06 2.4518(5) . ?
Re01 C00A 1.7670(19) . ?
P04 C00D 1.826(2) . ?
P04 C00G 1.831(2) . ?
P04 C00H 1.828(2) . ?
P05 C00B 1.845(2) . ?
P05 C00E 1.819(2) . ?
P05 C00M 1.827(2) . ?
P06 C00C 1.835(2) . ?
P06 C00I 1.833(2) . ?
P06 C00O 1.813(2) . ?
Si C017 1.860(2) . ?
Si C018 1.847(2) . ?
Si C01B 1.861(2) . ?
Si C01R 1.859(2) . ?
Cl08 C01X 1.765(3) . ?
Cl09 C01X 1.756(3) . ?
C00A C00F 1.431(3) . ?
C00B C00W 1.399(3) . ?
C00B C00Z 1.400(3) . ?
C00C C00P 1.396(3) . ?
C00C C00Y 1.398(3) . ?
C00D H00A 0.9600 . ?
C00D H00B 0.9600 . ?
C00D H00C 0.9600 . ?
C00E C00L 1.401(3) . ?
C00E C00N 1.396(3) . ?
C00F H00F 0.9300 . ?
C00F C00Q 1.358(3) . ?
C00G C00K 1.390(3) . ?
C00G C010 1.399(3) . ?
C00H C012 1.395(3) . ?
C00H C015 1.401(3) . ?
C00I C00J 1.391(3) . ?
C00I C01A 1.395(3) . ?
C00J H00J 0.9300 . ?
C00J C013 1.386(3) . ?
C00K H00K 0.9300 . ?
C00K C01M 1.390(3) . ?
C00L H00L 0.9300 . ?
C00L C011 1.383(3) . ?
C00M H00D 0.9600 . ?
C00M H00E 0.9600 . ?
C00M H00G 0.9600 . ?
C00N H00N 0.9300 . ?
C00N C01H 1.390(3) . ?
C00O H00H 0.9600 . ?
C00O H00I 0.9600 . ?
C00O H00M 0.9600 . ?
C00P H00P 0.9300 . ?
C00P C01C 1.388(3) . ?
C00Q C00X 1.429(3) . ?
C00Q C01F 1.531(3) . ?
C00R C00T 1.429(3) . ?
C00R C00X 1.201(3) . ?
C00S C00T 1.414(3) . ?
C00S C00U 1.436(3) . ?
C00S C01E 1.403(3) . ?
C00T C00V 1.399(3) . ?
C00U C018 1.205(3) . ?
C00V H00V 0.9300 . ?
C00V C016 1.388(3) . ?
C00W H00W 0.9300 . ?
C00W C01P 1.391(3) . ?
C00Y H00Y 0.9300 . ?
C00Y C01S 1.388(3) . ?
C00Z H00Z 0.9300 . ?
C00Z C01T 1.390(3) . ?
C010 H010 0.9300 . ?
C010 C01I 1.382(3) . ?
C011 H011 0.9300 . ?
C011 C01K 1.391(3) . ?
C012 H012 0.9300 . ?
C012 C019 1.394(3) . ?
C013 H013 0.9300 . ?
C013 C01L 1.384(3) . ?
C014 H014 0.9300 . ?
C014 C016 1.390(3) . ?
C014 C01E 1.383(3) . ?
C015 H015 0.9300 . ?
C015 C01Q 1.393(3) . ?
C016 H016 0.9300 . ?
C017 H01A 0.9600 . ?
C017 H01B 0.9600 . ?
C017 H01C 0.9600 . ?
C019 H019 0.9300 . ?
C019 C01J 1.383(4) . ?
C01A H01D 0.9300 . ?
C01A C01G 1.387(3) . ?
C01B H01E 0.9600 . ?
C01B H01F 0.9600 . ?
C01B H01G 0.9600 . ?
C01C H01H 0.9300 . ?
C01C C01O 1.395(3) . ?
C01D H01I 0.9300 . ?
C01D C01I 1.388(3) . ?
C01D C01M 1.381(3) . ?
C01E H01J 0.9300 . ?
C01F C01N 1.525(3) . ?
C01F C01U 1.532(3) . ?
C01F C01V 1.539(3) . ?
C01G H01K 0.9300 . ?
C01G C01L 1.379(3) . ?
C01H H01L 0.9300 . ?
C01H C01K 1.380(3) . ?
C01I H01M 0.9300 . ?
C01J H01N 0.9300 . ?
C01J C01Q 1.382(3) . ?
C01K H01O 0.9300 . ?
C01L H01P 0.9300 . ?
C01M H01Q 0.9300 . ?
C01N H01R 0.9600 . ?
C01N H01S 0.9600 . ?
C01N H01T 0.9600 . ?
C01O H01U 0.9300 . ?
C01O C01S 1.380(3) . ?
C01P H01V 0.9300 . ?
C01P C01W 1.373(3) . ?
C01Q H01W 0.9300 . ?
C01R H01X 0.9600 . ?
C01R H01Y 0.9600 . ?
C01R H 0.9600 . ?
C01S H01Z 0.9300 . ?
C01T H01 0.9300 . ?
C01T C01W 1.388(3) . ?
C01U H0AA 0.9600 . ?
C01U HA 0.9600 . ?
C01U HB 0.9600 . ?
C01V H1AA 0.9600 . ?
C01V HC 0.9600 . ?
C01V HD 0.9600 . ?
C01W H2AA 0.9300 . ?
C01X H3AA 0.9700 . ?
C01X HE 0.9700 . ?

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
Cl02 Re01 Cl03 82.039(16) . . ?
Cl02 Re01 P04 85.026(16) . . ?
P04 Re01 Cl03 99.399(16) . . ?
P05 Re01 Cl02 163.470(17) . . ?
P05 Re01 Cl03 81.431(17) . . ?
P05 Re01 P04 97.609(17) . . ?
P05 Re01 P06 95.164(17) . . ?
P06 Re01 Cl02 83.928(16) . . ?
P06 Re01 Cl03 86.669(16) . . ?
P06 Re01 P04 166.539(17) . . ?
C00A Re01 Cl02 104.72(6) . . ?
C00A Re01 Cl03 171.54(6) . . ?
C00A Re01 P04 86.42(6) . . ?
C00A Re01 P05 91.75(6) . . ?
C00A Re01 P06 88.97(6) . . ?
C00D P04 Re01 109.25(7) . . ?
C00D P04 C00G 97.43(9) . . ?
C00D P04 C00H 101.04(9) . . ?
C00G P04 Re01 125.15(7) . . ?
C00H P04 Re01 115.98(7) . . ?
C00H P04 C00G 104.00(9) . . ?
C00B P05 Re01 121.09(7) . . ?
C00E P05 Re01 115.53(6) . . ?
C00E P05 C00B 102.07(9) . . ?
C00E P05 C00M 103.17(9) . . ?
C00M P05 Re01 114.83(7) . . ?
C00M P05 C00B 97.19(9) . . ?
C00C P06 Re01 119.12(6) . . ?
C00I P06 Re01 115.55(7) . . ?
C00I P06 C00C 97.88(9) . . ?
C00O P06 Re01 115.25(7) . . ?
C00O P06 C00C 102.82(10) . . ?
C00O P06 C00I 103.63(9) . . ?
C017 Si C01B 113.47(10) . . ?
C018 Si C017 105.08(10) . . ?
C018 Si C01B 111.36(10) . . ?
C018 Si C01R 107.14(10) . . ?
C01R Si C017 110.39(11) . . ?
C01R Si C01B 109.17(11) . . ?
C00F C00A Re01 172.45(16) . . ?
C00W C00B P05 122.68(16) . . ?
C00W C00B C00Z 118.75(19) . . ?
C00Z C00B P05 118.40(15) . . ?
C00P C00C P06 119.36(15) . . ?
C00P C00C C00Y 118.19(19) . . ?
C00Y C00C P06 122.45(16) . . ?
P04 C00D H00A 109.5 . . ?
P04 C00D H00B 109.5 . . ?
P04 C00D H00C 109.5 . . ?
H00A C00D H00B 109.5 . . ?
H00A C00D H00C 109.5 . . ?
H00B C00D H00C 109.5 . . ?
C00L C00E P05 119.37(16) . . ?
C00N C00E P05 121.93(15) . . ?
C00N C00E C00L 118.70(19) . . ?
C00A C00F H00F 116.7 . . ?
C00Q C00F C00A 126.53(18) . . ?
C00Q C00F H00F 116.7 . . ?
C00K C00G P04 120.73(16) . . ?
C00K C00G C010 118.48(19) . . ?
C010 C00G P04 119.86(15) . . ?
C012 C00H P04 121.95(16) . . ?
C012 C00H C015 118.52(19) . . ?
C015 C00H P04 119.46(16) . . ?
C00J C00I P06 120.64(15) . . ?
C00J C00I C01A 118.56(19) . . ?
C01A C00I P06 120.45(16) . . ?
C00I C00J H00J 119.7 . . ?
C013 C00J C00I 120.62(19) . . ?
C013 C00J H00J 119.7 . . ?
C00G C00K H00K 119.9 . . ?
C01M C00K C00G 120.2(2) . . ?
C01M C00K H00K 119.9 . . ?
C00E C00L H00L 119.8 . . ?
C011 C00L C00E 120.5(2) . . ?
C011 C00L H00L 119.8 . . ?
P05 C00M H00D 109.5 . . ?
P05 C00M H00E 109.5 . . ?
P05 C00M H00G 109.5 . . ?
H00D C00M H00E 109.5 . . ?
H00D C00M H00G 109.5 . . ?
H00E C00M H00G 109.5 . . ?
C00E C00N H00N 119.9 . . ?
C01H C00N C00E 120.3(2) . . ?
C01H C00N H00N 119.9 . . ?
P06 C00O H00H 109.5 . . ?
P06 C00O H00I 109.5 . . ?
P06 C00O H00M 109.5 . . ?
H00H C00O H00I 109.5 . . ?
H00H C00O H00M 109.5 . . ?
H00I C00O H00M 109.5 . . ?
C00C C00P H00P 119.6 . . ?
C01C C00P C00C 120.9(2) . . ?
C01C C00P H00P 119.6 . . ?
C00F C00Q C00X 121.24(18) . . ?
C00F C00Q C01F 123.00(18) . . ?
C00X C00Q C01F 115.76(17) . . ?
C00X C00R C00T 175.5(2) . . ?
C00T C00S C00U 121.02(18) . . ?
C01E C00S C00T 119.27(18) . . ?
C01E C00S C00U 119.71(18) . . ?
C00S C00T C00R 120.53(18) . . ?
C00V C00T C00R 120.29(18) . . ?
C00V C00T C00S 119.15(18) . . ?
C018 C00U C00S 177.4(2) . . ?
C00T C00V H00V 119.8 . . ?
C016 C00V C00T 120.44(19) . . ?
C016 C00V H00V 119.8 . . ?
C00B C00W H00W 119.9 . . ?
C01P C00W C00B 120.2(2) . . ?
C01P C00W H00W 119.9 . . ?
C00R C00X C00Q 177.4(2) . . ?
C00C C00Y H00Y 119.5 . . ?
C01S C00Y C00C 121.0(2) . . ?
C01S C00Y H00Y 119.5 . . ?
C00B C00Z H00Z 120.0 . . ?
C01T C00Z C00B 120.0(2) . . ?
C01T C00Z H00Z 120.0 . . ?
C00G C010 H010 119.3 . . ?
C01I C010 C00G 121.3(2) . . ?
C01I C010 H010 119.3 . . ?
C00L C011 H011 119.8 . . ?
C00L C011 C01K 120.4(2) . . ?
C01K C011 H011 119.8 . . ?
C00H C012 H012 119.7 . . ?
C019 C012 C00H 120.6(2) . . ?
C019 C012 H012 119.7 . . ?
C00J C013 H013 119.9 . . ?
C01L C013 C00J 120.2(2) . . ?
C01L C013 H013 119.9 . . ?
C016 C014 H014 120.1 . . ?
C01E C014 H014 120.1 . . ?
C01E C014 C016 119.8(2) . . ?
C00H C015 H015 119.7 . . ?
C01Q C015 C00H 120.5(2) . . ?
C01Q C015 H015 119.7 . . ?
C00V C016 C014 120.5(2) . . ?
C00V C016 H016 119.8 . . ?
C014 C016 H016 119.8 . . ?
Si C017 H01A 109.5 . . ?
Si C017 H01B 109.5 . . ?
Si C017 H01C 109.5 . . ?
H01A C017 H01B 109.5 . . ?
H01A C017 H01C 109.5 . . ?
H01B C017 H01C 109.5 . . ?
C00U C018 Si 171.5(2) . . ?
C012 C019 H019 119.9 . . ?
C01J C019 C012 120.2(2) . . ?
C01J C019 H019 119.9 . . ?
C00I C01A H01D 119.7 . . ?
C01G C01A C00I 120.6(2) . . ?
C01G C01A H01D 119.7 . . ?
Si C01B H01E 109.5 . . ?
Si C01B H01F 109.5 . . ?
Si C01B H01G 109.5 . . ?
H01E C01B H01F 109.5 . . ?
H01E C01B H01G 109.5 . . ?
H01F C01B H01G 109.5 . . ?
C00P C01C H01H 120.0 . . ?
C00P C01C C01O 120.0(2) . . ?
C01O C01C H01H 120.0 . . ?
C01I C01D H01I 120.0 . . ?
C01M C01D H01I 120.0 . . ?
C01M C01D C01I 120.0(2) . . ?
C00S C01E H01J 119.6 . . ?
C014 C01E C00S 120.77(19) . . ?
C014 C01E H01J 119.6 . . ?
C00Q C01F C01U 108.67(17) . . ?
C00Q C01F C01V 108.30(17) . . ?
C01N C01F C00Q 112.19(17) . . ?
C01N C01F C01U 108.69(18) . . ?
C01N C01F C01V 109.63(18) . . ?
C01U C01F C01V 109.33(19) . . ?
C01A C01G H01K 119.9 . . ?
C01L C01G C01A 120.2(2) . . ?
C01L C01G H01K 119.9 . . ?
C00N C01H H01L 119.7 . . ?
C01K C01H C00N 120.6(2) . . ?
C01K C01H H01L 119.7 . . ?
C010 C01I C01D 119.4(2) . . ?
C010 C01I H01M 120.3 . . ?
C01D C01I H01M 120.3 . . ?
C019 C01J H01N 120.0 . . ?
C01Q C01J C019 120.0(2) . . ?
C01Q C01J H01N 120.0 . . ?
C011 C01K H01O 120.3 . . ?
C01H C01K C011 119.5(2) . . ?
C01H C01K H01O 120.3 . . ?
C013 C01L H01P 120.1 . . ?
C01G C01L C013 119.8(2) . . ?
C01G C01L H01P 120.1 . . ?
C00K C01M H01Q 119.7 . . ?
C01D C01M C00K 120.5(2) . . ?
C01D C01M H01Q 119.7 . . ?
C01F C01N H01R 109.5 . . ?
C01F C01N H01S 109.5 . . ?
C01F C01N H01T 109.5 . . ?
H01R C01N H01S 109.5 . . ?
H01R C01N H01T 109.5 . . ?
H01S C01N H01T 109.5 . . ?
C01C C01O H01U 120.2 . . ?
C01S C01O C01C 119.6(2) . . ?
C01S C01O H01U 120.2 . . ?
C00W C01P H01V 119.5 . . ?
C01W C01P C00W 120.9(2) . . ?
C01W C01P H01V 119.5 . . ?
C015 C01Q H01W 119.9 . . ?
C01J C01Q C015 120.2(2) . . ?
C01J C01Q H01W 119.9 . . ?
Si C01R H01X 109.5 . . ?
Si C01R H01Y 109.5 . . ?
Si C01R H 109.5 . . ?
H01X C01R H01Y 109.5 . . ?
H01X C01R H 109.5 . . ?
H01Y C01R H 109.5 . . ?
C00Y C01S H01Z 119.9 . . ?
C01O C01S C00Y 120.3(2) . . ?
C01O C01S H01Z 119.9 . . ?
C00Z C01T H01 119.6 . . ?
C01W C01T C00Z 120.8(2) . . ?
C01W C01T H01 119.6 . . ?
C01F C01U H0AA 109.5 . . ?
C01F C01U HA 109.5 . . ?
C01F C01U HB 109.5 . . ?
H0AA C01U HA 109.5 . . ?
H0AA C01U HB 109.5 . . ?
HA C01U HB 109.5 . . ?
C01F C01V H1AA 109.5 . . ?
C01F C01V HC 109.5 . . ?
C01F C01V HD 109.5 . . ?
H1AA C01V HC 109.5 . . ?
H1AA C01V HD 109.5 . . ?
HC C01V HD 109.5 . . ?
C01P C01W C01T 119.3(2) . . ?
C01P C01W H2AA 120.3 . . ?
C01T C01W H2AA 120.3 . . ?
Cl08 C01X H3AA 109.3 . . ?
Cl08 C01X HE 109.3 . . ?
Cl09 C01X Cl08 111.53(14) . . ?
Cl09 C01X H3AA 109.3 . . ?
Cl09 C01X HE 109.3 . . ?
H3AA C01X HE 108.0 . . ?

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
Re01 P04 C00G C00K 13.4(2) . . . . ?
Re01 P04 C00G C010 -177.74(13) . . . . ?
Re01 P04 C00H C012 96.14(17) . . . . ?
Re01 P04 C00H C015 -80.76(17) . . . . ?
Re01 P05 C00B C00W 138.10(15) . . . . ?
Re01 P05 C00B C00Z -46.84(19) . . . . ?
Re01 P05 C00E C00L -71.33(16) . . . . ?
Re01 P05 C00E C00N 108.19(16) . . . . ?
Re01 P06 C00C C00P 69.27(17) . . . . ?
Re01 P06 C00C C00Y -110.51(16) . . . . ?
Re01 P06 C00I C00J -24.40(19) . . . . ?
Re01 P06 C00I C01A 162.54(15) . . . . ?
P04 C00G C00K C01M 168.91(17) . . . . ?
P04 C00G C010 C01I -167.86(17) . . . . ?
P04 C00H C012 C019 -175.80(16) . . . . ?
P04 C00H C015 C01Q 176.50(16) . . . . ?
P05 C00B C00W C01P 175.83(17) . . . . ?
P05 C00B C00Z C01T -175.16(17) . . . . ?
P05 C00E C00L C011 -179.40(16) . . . . ?
P05 C00E C00N C01H -179.75(17) . . . . ?
P06 C00C C00P C01C -178.49(16) . . . . ?
P06 C00C C00Y C01S 177.63(16) . . . . ?
P06 C00I C00J C013 -170.91(17) . . . . ?
P06 C00I C01A C01G 172.51(17) . . . . ?
C00A C00F C00Q C00X -2.5(3) . . . . ?
C00A C00F C00Q C01F 177.43(19) . . . . ?
C00B P05 C00E C00L 62.09(17) . . . . ?
C00B P05 C00E C00N -118.39(17) . . . . ?
C00B C00W C01P C01W -0.4(3) . . . . ?
C00B C00Z C01T C01W -1.4(3) . . . . ?
C00C P06 C00I C00J 103.24(18) . . . . ?
C00C P06 C00I C01A -69.82(19) . . . . ?
C00C C00P C01C C01O 0.6(3) . . . . ?
C00C C00Y C01S C01O 1.1(3) . . . . ?
C00D P04 C00G C00K -106.51(18) . . . . ?
C00D P04 C00G C010 62.35(18) . . . . ?
C00D P04 C00H C012 -145.90(17) . . . . ?
C00D P04 C00H C015 37.20(18) . . . . ?
C00E P05 C00B C00W 8.04(19) . . . . ?
C00E P05 C00B C00Z -176.90(16) . . . . ?
C00E C00L C011 C01K -1.1(3) . . . . ?
C00E C00N C01H C01K -0.6(3) . . . . ?
C00F C00Q C01F C01N 3.1(3) . . . . ?
C00F C00Q C01F C01U 123.3(2) . . . . ?
C00F C00Q C01F C01V -118.0(2) . . . . ?
C00G P04 C00H C012 -45.27(19) . . . . ?
C00G P04 C00H C015 137.84(16) . . . . ?
C00G C00K C01M C01D -1.1(3) . . . . ?
C00G C010 C01I C01D -1.1(3) . . . . ?
C00H P04 C00G C00K 150.09(17) . . . . ?
C00H P04 C00G C010 -41.04(18) . . . . ?
C00H C012 C019 C01J -1.0(3) . . . . ?
C00H C015 C01Q C01J -0.2(3) . . . . ?
C00I P06 C00C C00P -55.87(17) . . . . ?
C00I P06 C00C C00Y 124.34(17) . . . . ?
C00I C00J C013 C01L -1.8(3) . . . . ?
C00I C01A C01G C01L -1.4(3) . . . . ?
C00J C00I C01A C01G -0.7(3) . . . . ?
C00J C013 C01L C01G -0.3(3) . . . . ?
C00K C00G C010 C01I 1.3(3) . . . . ?
C00L C00E C00N C01H -0.2(3) . . . . ?
C00L C011 C01K C01H 0.4(3) . . . . ?
C00M P05 C00B C00W -97.14(18) . . . . ?
C00M P05 C00B C00Z 77.93(18) . . . . ?
C00M P05 C00E C00L 162.54(16) . . . . ?
C00M P05 C00E C00N -17.94(19) . . . . ?
C00N C00E C00L C011 1.1(3) . . . . ?
C00N C01H C01K C011 0.5(3) . . . . ?
C00O P06 C00C C00P -161.86(16) . . . . ?
C00O P06 C00C C00Y 18.35(19) . . . . ?
C00O P06 C00I C00J -151.44(17) . . . . ?
C00O P06 C00I C01A 35.5(2) . . . . ?
C00P C00C C00Y C01S -2.2(3) . . . . ?
C00P C01C C01O C01S -1.6(3) . . . . ?
C00R C00T C00V C016 -176.15(19) . . . . ?
C00S C00T C00V C016 2.0(3) . . . . ?
C00T C00S C01E C014 1.2(3) . . . . ?
C00T C00V C016 C014 0.6(3) . . . . ?
C00U C00S C00T C00R -5.7(3) . . . . ?
C00U C00S C00T C00V 176.13(19) . . . . ?
C00U C00S C01E C014 -177.80(19) . . . . ?
C00W C00B C00Z C01T 0.1(3) . . . . ?
C00W C01P C01W C01T -0.8(4) . . . . ?
C00X C00Q C01F C01N -176.92(18) . . . . ?
C00X C00Q C01F C01U -56.7(2) . . . . ?
C00X C00Q C01F C01V 61.9(2) . . . . ?
C00Y C00C C00P C01C 1.3(3) . . . . ?
C00Z C00B C00W C01P 0.8(3) . . . . ?
C00Z C01T C01W C01P 1.7(4) . . . . ?
C010 C00G C00K C01M -0.1(3) . . . . ?
C012 C00H C015 C01Q -0.5(3) . . . . ?
C012 C019 C01J C01Q 0.3(3) . . . . ?
C015 C00H C012 C019 1.1(3) . . . . ?
C016 C014 C01E C00S 1.3(3) . . . . ?
C019 C01J C01Q C015 0.3(4) . . . . ?
C01A C00I C00J C013 2.3(3) . . . . ?
C01A C01G C01L C013 1.9(3) . . . . ?
C01C C01O C01S C00Y 0.8(3) . . . . ?
C01E C00S C00T C00R 175.28(18) . . . . ?
C01E C00S C00T C00V -2.9(3) . . . . ?
C01E C014 C016 C00V -2.2(3) . . . . ?
C01I C01D C01M C00K 1.3(3) . . . . ?
C01M C01D C01I C010 -0.1(3) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_diffrn_reflns_filtered   1068
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.377
_oxdiff_exptl_absorpt_empirical_full_min 0.778
