# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2018

####################################################################### 
# 
# 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_shelx
_database_code_depnum_ccdc_archive 'CCDC 1588292'
_audit_update_record             
;
2017-11-29 deposited with the CCDC.
2018-02-05 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2016/4
_shelx_SHELXL_version_number     2016/4
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C15 H12 F6 N O P'
_chemical_formula_sum            'C15 H12 F6 N O P'
_chemical_formula_weight         367.23

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'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 '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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_H-M_alt        'P 21'
_space_group_name_Hall           'P 2yb'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'

_cell_length_a                   10.17707(14)
_cell_length_b                   8.43885(15)
_cell_length_c                   18.8541(3)
_cell_angle_alpha                90
_cell_angle_beta                 101.7242(15)
_cell_angle_gamma                90
_cell_volume                     1585.46(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    140.00(10)
_cell_measurement_reflns_used    12173
_cell_measurement_theta_min      4.4170
_cell_measurement_theta_max      75.5740

_exptl_crystal_description       prism
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.538
_exptl_crystal_F_000             744
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.342
_exptl_crystal_size_mid          0.241
_exptl_crystal_size_min          0.155
_exptl_absorpt_coefficient_mu    2.195
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_correction_T_min  0.594
_exptl_absorpt_correction_T_max  0.797
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.43 (Rigaku Oxford Diffraction, 2015)
Numerical absorption correction based on gaussian integration over
a multifaceted crystal model.
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
0 5 1 0.1522
6 2 -3 0.1492
7 0 -3 0.1509
-1 -5 0 0.0656
0 2 -11 0.0827
-3 -4 -6 0.0503
1 0 11 0.0927
3 5 -5 0.1481
-3 0 12 0.1238
6 1 4 0.1336
4 -3 5 0.1644
-3 4 -4 0.1589
-1 -2 11 0.0884
1 1 11 0.0743
4 4 -6 0.1489
3 -2 -11 0.0980
0 3 10 0.1037
-1 1 12 0.0913
-5 1 9 0.1557
-3 4 8 0.1580
1 5 3 0.1453
-6 2 2 0.1739
-3 0 -10 0.0579
_diffrn_ambient_temperature      140.00(10)
_diffrn_ambient_environment      N~2~
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, AtlasS2'
_diffrn_detector                 'CCD plate'
_diffrn_detector_type            AtlasS2
_diffrn_detector_area_resol_mean 5.2817
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     17.00  42.00   1.00    3.77    --   50.00  79.00-104.24   25
  2  ω     28.00  60.00   1.00    3.77    --   58.00  74.00 -74.87   32
  3  ω     34.00  72.00   1.00    3.77    --   66.00  77.00 -71.31   38
  4  ω     95.00 132.00   1.00    3.77    --   58.00  74.00 -74.87   37
  5  ω     95.00 126.00   1.00    3.77    --   62.00  76.00-127.59   31
  6  ω    124.00 149.00   1.00    3.77    --   74.00  77.00-173.31   25
  7  ω    131.00 158.00   1.00   15.07    --  112.00  61.00-120.00   27
  8  ω    118.00 176.00   1.00   15.07    --  112.00  77.00-180.00   58
  9  ω    113.00 178.00   1.00   15.07    --  112.00  77.00-150.00   65
 10  ω    112.00 144.00   1.00   15.07    --   98.00  74.00 -18.80   32
 11  ω    113.00 140.00   1.00   15.07    --  112.00  77.00  60.00   27
 12  ω    115.00 178.00   1.00   15.07    --  112.00  77.00  90.00   63
 13  ω    103.00 131.00   1.00    3.77    --   66.00  77.00 135.24   28
 14  ω     95.00 144.00   1.00    3.77    --   70.00  77.00  65.22   49
 15  ω     89.00 138.00   1.00    3.77    --   66.00  76.00 176.98   49
 16  ω     84.00 110.00   1.00   15.07    --  112.00  61.00  90.00   26
 17  ω     83.00 113.00   1.00   15.07    --  112.00  61.00 120.00   30
 18  ω     80.00 158.00   1.00   15.07    --  112.00  77.00 150.00   78
 19  ω     85.00 120.00   1.00   15.07    --  112.00  61.00   0.00   35
 20  ω     84.00 113.00   1.00   15.07    --  112.00  61.00 -60.00   29
 21  ω     82.00 110.00   1.00   15.07    --  112.00  77.00-120.00   28
 22  ω     83.00 110.00   1.00   15.07    --  112.00  61.00-120.00   27
 23  ω     83.00 113.00   1.00   15.07    --  112.00  61.00-150.00   30
 24  ω     79.00 105.00   1.00   15.07    --  112.00  77.00 -90.00   26
 25  ω     83.00 177.00   1.00   15.07    --  112.00  61.00 -90.00   94
 26  ω     79.00 177.00   1.00   15.07    --  112.00  77.00  30.00   98
 27  ω     79.00 178.00   1.00   15.07    --  112.00  77.00 120.00   99
 28  ω     80.00 105.00   1.00   15.07    --  112.00  77.00  90.00   25
 29  ω     79.00 105.00   1.00   15.07    --  112.00  77.00  60.00   26
 30  ω     79.00 178.00   1.00   15.07    --  112.00  77.00   0.00   99
 31  ω     79.00 105.00   1.00   15.07    --  112.00  77.00-180.00   26
 32  ω     79.00 105.00   1.00   15.07    --  112.00  77.00-150.00   26
 33  ω     79.00 178.00   1.00   15.07    --  112.00  77.00 -60.00   99
 34  ω     66.00 111.00   1.00   15.07    --   98.00  74.00 -18.80   45
 35  ω     38.00  80.00   1.00    3.77    --   70.00  76.00  -2.95   42
 36  ω     37.00  77.00   1.00    3.77    --   70.00  77.00  65.22   40
 37  ω     32.00  63.00   1.00    3.77    --   62.00  76.00  23.26   31
 38  ω     31.00  56.00   1.00    3.77    --   62.00  75.00 -25.77   25
 39  ω     20.00  45.00   1.00    3.77    --   54.00  81.00 -25.90   25
 40  ω     -1.00  25.00   1.00    3.77    --   38.00  94.00 -17.87   26
 41  ω     30.00  57.00   1.00    3.77    --   62.00  76.00-127.59   27
 42  ω     38.00  70.00   1.00    3.77    --   70.00  77.00-125.80   32
 43  ω     41.00  74.00   1.00    3.77    --   74.00  77.00-173.31   33
 44  ω     20.00  45.00   1.00    3.77    --   54.00  81.00  58.76   25
 45  ω     28.00  55.00   1.00    3.77    --   58.00  76.00 108.61   27
 46  ω     33.00  62.00   1.00    3.77    --   66.00  77.00 135.24   29
 47  ω     34.00  60.00   1.00    3.77    --   66.00  76.00 176.98   26
 48  ω     11.00  37.00   1.00    3.77    --   46.00  84.00 176.10   26
 49  ω    -87.00 -13.00   1.00    3.77    --  -40.66 -57.00  60.00   74
 50  ω     24.00  92.00   1.00    3.77    --   40.66-125.00   0.00   68
 51  ω     38.00 108.00   1.00   15.07    --  112.00 -94.00  30.00   70
 52  ω     30.00 105.00   1.00   15.07    --  112.00 -94.00 120.00   75
 53  ω     23.00  80.00   1.00    3.77    --   40.66-125.00 150.00   57
 54  ω     31.00 109.00   1.00   15.07    --  112.00 -94.00 -60.00   78
 55  ω     96.00 121.00   1.00   15.07    --  112.00-125.00-180.00   25
 56  ω     59.00  86.00   1.00   15.07    --  112.00-125.00-180.00   27
 57  ω     31.00 105.00   1.00   15.07    --  112.00 -94.00-150.00   74
 58  ω    -69.00  32.00   1.00    3.77    --  -40.66  57.00-120.00  101
 59  ω   -109.00 -13.00   1.00    3.77    --  -40.66 -57.00 -90.00   96
 60  ω   -107.00 -17.00   1.00    3.77    --  -40.66 -57.00 150.00   90
;
_diffrn_measurement_method       'ω scans'
_diffrn_reflns_number            26120
_diffrn_reflns_av_unetI/netI     0.0259
_diffrn_reflns_av_R_equivalents  0.0355
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         4.437
_diffrn_reflns_theta_max         76.240
_diffrn_reflns_theta_full        67.684
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.966
_diffrn_reflns_point_group_measured_fraction_full 0.986
_reflns_number_total             6410
_reflns_number_gt                6065
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.818
_reflns_Friedel_fraction_max     0.935
_reflns_Friedel_fraction_full    0.971

_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.
;

_computing_data_collection       'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)'
_computing_cell_refinement       'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)'
_computing_structure_solution    'SHELXT (Sheldrick, 2015)'
_computing_structure_refinement  'SHELXL-2016/4 (Sheldrick, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'CIFTAB (Sheldrick, 2016)'
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0751P)²+0.8411P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Flack x determined using 2519 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.005(12)
_chemical_absolute_configuration ad
_refine_ls_number_reflns         6410
_refine_ls_number_parameters     591
_refine_ls_number_restraints     575
_refine_ls_R_factor_all          0.0512
_refine_ls_R_factor_gt           0.0482
_refine_ls_wR_factor_ref         0.1288
_refine_ls_wR_factor_gt          0.1257
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_restrained_S_all      1.147
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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
P1 P 0.09640(9) 0.59621(13) 0.24494(5) 0.0329(2) Uani 1 1 d . . . . .
P2 P 0.59825(9) 0.40469(14) 0.26561(5) 0.0357(2) Uani 1 1 d . . . . .
C7A C 0.5001(13) 0.4221(17) 0.5445(6) 0.102(3) Uani 0.52(2) 1 d D U P A -1
F1A F 0.5821(18) 0.360(2) 0.5037(7) 0.100(3) Uani 0.52(2) 1 d D U P A -1
F2A F 0.5690(17) 0.5516(14) 0.5742(8) 0.112(3) Uani 0.52(2) 1 d D U P A -1
F3A F 0.5143(18) 0.3212(16) 0.6009(5) 0.104(3) Uani 0.52(2) 1 d D U P A -1
C7B C 0.4863(13) 0.4122(17) 0.5501(7) 0.100(3) Uani 0.48(2) 1 d D U P A -2
F1B F 0.5879(19) 0.380(2) 0.5192(8) 0.106(3) Uani 0.48(2) 1 d D U P A -2
F2B F 0.5254(17) 0.5252(18) 0.5984(7) 0.107(3) Uani 0.48(2) 1 d D U P A -2
F3B F 0.4578(18) 0.2859(17) 0.5851(8) 0.103(3) Uani 0.48(2) 1 d D U P A -2
C8A C 0.0372(11) 0.5355(17) 0.5388(6) 0.070(2) Uani 0.393(8) 1 d D U P B -1
F4A F 0.035(3) 0.6658(16) 0.5780(10) 0.076(3) Uani 0.393(8) 1 d D U P B -1
F5A F 0.0428(11) 0.4132(13) 0.5832(5) 0.087(3) Uani 0.393(8) 1 d D U P B -1
F6A F -0.0770(9) 0.5270(16) 0.4921(5) 0.074(2) Uani 0.393(8) 1 d D U P B -1
C8B C 0.0037(8) 0.5737(10) 0.5163(4) 0.066(2) Uani 0.607(8) 1 d D U P B -2
F4B F 0.039(2) 0.6731(11) 0.5709(7) 0.079(3) Uani 0.607(8) 1 d D U P B -2
F5B F -0.0492(7) 0.4448(8) 0.5410(4) 0.082(2) Uani 0.607(8) 1 d D U P B -2
F6B F -0.1007(5) 0.6428(8) 0.4718(3) 0.0645(17) Uani 0.607(8) 1 d D U P B -2
C22A C 0.8139(8) 0.5073(12) -0.0313(4) 0.095(2) Uani 0.702(7) 1 d D U P C -1
F7A F 0.9288(5) 0.5592(11) 0.0058(3) 0.106(2) Uani 0.702(7) 1 d D U P C -1
F8A F 0.7824(5) 0.6101(9) -0.0851(3) 0.103(2) Uani 0.702(7) 1 d D U P C -1
F9A F 0.8321(9) 0.3718(12) -0.0618(5) 0.122(3) Uani 0.702(7) 1 d D U P C -1
C22B C 0.8326(13) 0.452(2) -0.0178(8) 0.101(3) Uani 0.298(7) 1 d D U P C -2
F7B F 0.9373(11) 0.369(2) 0.0152(6) 0.107(3) Uani 0.298(7) 1 d D U P C -2
F8B F 0.8824(19) 0.590(2) -0.0297(10) 0.123(3) Uani 0.298(7) 1 d D U P C -2
F9B F 0.7932(19) 0.384(3) -0.0822(8) 0.098(3) Uani 0.298(7) 1 d D U P C -2
C23A C 0.3359(8) 0.4603(12) -0.0157(5) 0.058(2) Uani 0.531(12) 1 d D U P D -1
F10A F 0.2853(9) 0.6018(10) -0.0348(7) 0.094(3) Uani 0.531(12) 1 d D U P D -1
F11A F 0.3163(13) 0.3741(12) -0.0765(4) 0.066(2) Uani 0.531(12) 1 d D U P D -1
F12A F 0.2569(6) 0.3948(13) 0.0242(3) 0.068(2) Uani 0.531(12) 1 d D U P D -1
C23B C 0.3395(9) 0.4843(13) -0.0197(5) 0.057(2) Uani 0.469(12) 1 d D U P D -2
F10B F 0.3190(10) 0.5992(10) -0.0694(5) 0.073(2) Uani 0.469(12) 1 d D U P D -2
F11B F 0.3050(15) 0.3509(11) -0.0556(7) 0.070(3) Uani 0.469(12) 1 d D U P D -2
F12B F 0.2541(8) 0.5099(18) 0.0226(4) 0.082(3) Uani 0.469(12) 1 d D U P D -2
O1 O -0.0342(3) 0.5219(4) 0.24943(17) 0.0411(7) Uani 1 1 d . . . . .
O2 O 0.4658(3) 0.4834(4) 0.26057(15) 0.0387(6) Uani 1 1 d . . . . .
N1 N 0.2235(3) 0.5342(5) 0.30843(18) 0.0364(7) Uani 1 1 d . . . . .
H1N H 0.289(5) 0.521(5) 0.295(2) 0.029(11) Uiso 1 1 d . . . . .
N2 N 0.6861(3) 0.4740(5) 0.20715(19) 0.0383(8) Uani 1 1 d . . . . .
H2N H 0.761(5) 0.497(6) 0.225(3) 0.042(13) Uiso 1 1 d . . . . .
C1 C 0.2295(4) 0.5179(5) 0.3828(2) 0.0389(9) Uani 1 1 d . . . . .
C2 C 0.3512(5) 0.4742(6) 0.4258(2) 0.0474(10) Uani 1 1 d . . . . .
H2 H 0.426747 0.455147 0.404529 0.057 Uiso 1 1 calc R U . . .
C3 C 0.3623(7) 0.4585(8) 0.5003(3) 0.0647(15) Uani 1 1 d D . . . .
C4 C 0.2538(8) 0.4878(8) 0.5319(3) 0.074(2) Uani 1 1 d . . . . .
H4 H 0.262312 0.478456 0.582865 0.089 Uiso 1 1 calc R U . . .
C5 C 0.1333(6) 0.5308(8) 0.4888(3) 0.0636(16) Uani 1 1 d D . . . .
C6 C 0.1190(5) 0.5473(7) 0.4141(3) 0.0534(13) Uani 1 1 d . . . . .
H6 H 0.035374 0.578076 0.385046 0.064 Uiso 1 1 calc R U . . .
C9 C 0.1552(4) 0.5509(6) 0.1642(2) 0.0418(10) Uani 1 1 d . . . . .
H9A H 0.154092 0.435887 0.157010 0.063 Uiso 1 1 calc R U . . .
H9B H 0.246987 0.590550 0.168597 0.063 Uiso 1 1 calc R U . . .
H9C H 0.096646 0.601524 0.122665 0.063 Uiso 1 1 calc R U . . .
C10 C 0.0860(4) 0.8076(6) 0.2494(2) 0.0405(10) Uani 1 1 d . . . . .
C11 C 0.1603(5) 0.8955(6) 0.3060(3) 0.0504(11) Uani 1 1 d . . . . .
H11 H 0.221347 0.844198 0.343878 0.061 Uiso 1 1 calc R U . . .
C12 C 0.1443(7) 1.0601(7) 0.3068(4) 0.0686(18) Uani 1 1 d . . . . .
H12 H 0.193238 1.120414 0.345966 0.082 Uiso 1 1 calc R U . . .
C13 C 0.0600(6) 1.1338(7) 0.2525(4) 0.0685(18) Uani 1 1 d . . . . .
H13 H 0.051117 1.245826 0.253686 0.082 Uiso 1 1 calc R U . . .
C14 C -0.0135(6) 1.0502(7) 0.1953(4) 0.0676(16) Uani 1 1 d . . . . .
H14 H -0.071767 1.103750 0.156979 0.081 Uiso 1 1 calc R U . . .
C15 C -0.0012(5) 0.8862(7) 0.1944(3) 0.0526(11) Uani 1 1 d . . . . .
H15 H -0.052983 0.827105 0.155636 0.063 Uiso 1 1 calc R U . . .
C16 C 0.6472(4) 0.4742(5) 0.1316(2) 0.0342(8) Uani 1 1 d . . . . .
C17 C 0.7465(4) 0.4819(6) 0.0907(2) 0.0430(9) Uani 1 1 d . . . . .
H17 H 0.838461 0.483976 0.114149 0.052 Uiso 1 1 calc R U . . .
C18 C 0.7110(5) 0.4865(8) 0.0155(3) 0.0579(14) Uani 1 1 d D . . . .
C19 C 0.5789(5) 0.4834(7) -0.0198(3) 0.0536(12) Uani 1 1 d . . . . .
H19 H 0.555292 0.487857 -0.071194 0.064 Uiso 1 1 calc R U . . .
C20 C 0.4819(4) 0.4736(6) 0.0210(2) 0.0436(9) Uani 1 1 d D . . . .
C21 C 0.5140(4) 0.4700(6) 0.0962(2) 0.0407(9) Uani 1 1 d . . . . .
H21 H 0.444861 0.464753 0.123189 0.049 Uiso 1 1 calc R U . . .
C24 C 0.7131(4) 0.4362(7) 0.3501(2) 0.0512(12) Uani 1 1 d . . . . .
H24A H 0.720502 0.549966 0.360555 0.077 Uiso 1 1 calc R U . . .
H24B H 0.801454 0.394034 0.347006 0.077 Uiso 1 1 calc R U . . .
H24C H 0.679989 0.381755 0.388939 0.077 Uiso 1 1 calc R U . . .
C25 C 0.5778(4) 0.1951(6) 0.2516(2) 0.0397(10) Uani 1 1 d . . . . .
C26 C 0.4498(4) 0.1308(6) 0.2345(3) 0.0475(11) Uani 1 1 d . . . . .
H26 H 0.373506 0.197768 0.230354 0.057 Uiso 1 1 calc R U . . .
C27 C 0.4330(6) -0.0310(7) 0.2236(3) 0.0578(13) Uani 1 1 d . . . . .
H27 H 0.345198 -0.074512 0.211917 0.069 Uiso 1 1 calc R U . . .
C28 C 0.5431(7) -0.1292(7) 0.2297(3) 0.0643(15) Uani 1 1 d . . . . .
H28 H 0.530911 -0.239978 0.222227 0.077 Uiso 1 1 calc R U . . .
C29 C 0.6706(6) -0.0669(7) 0.2466(3) 0.0642(15) Uani 1 1 d . . . . .
H29 H 0.746353 -0.134668 0.250779 0.077 Uiso 1 1 calc R U . . .
C30 C 0.6883(5) 0.0940(7) 0.2574(3) 0.0527(11) Uani 1 1 d . . . . .
H30 H 0.776538 0.136561 0.268997 0.063 Uiso 1 1 calc R U . . .


_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
P1 O1 1.488(3) . ?
P1 N1 1.659(4) . ?
P1 C9 1.786(4) . ?
P1 C10 1.790(5) . ?
P2 O2 1.488(3) . ?
P2 N2 1.661(3) . ?
P2 C24 1.794(4) . ?
P2 C25 1.794(5) . ?
C7A F3A 1.348(9) . ?
C7A F1A 1.352(10) . ?
C7A F2A 1.357(10) . ?
C7A C3 1.510(12) . ?
C7B F1B 1.316(10) . ?
C7B F3B 1.316(10) . ?
C7B F2B 1.322(10) . ?
C7B C3 1.464(12) . ?
C8A F6A 1.310(10) . ?
C8A F5A 1.323(10) . ?
C8A F4A 1.327(10) . ?
C8A C5 1.490(11) . ?
C8B F4B 1.320(8) . ?
C8B F5B 1.339(8) . ?
C8B F6B 1.346(8) . ?
C8B C5 1.555(9) . ?
C22A F7A 1.311(8) . ?
C22A F9A 1.310(9) . ?
C22A F8A 1.323(9) . ?
C22A C18 1.510(8) . ?
C22B F8B 1.315(10) . ?
C22B F7B 1.320(10) . ?
C22B F9B 1.325(10) . ?
C22B C18 1.526(12) . ?
C23A F10A 1.321(9) . ?
C23A F12A 1.328(8) . ?
C23A F11A 1.338(8) . ?
C23A C20 1.511(9) . ?
C23B F12B 1.312(9) . ?
C23B F11B 1.323(9) . ?
C23B F10B 1.335(9) . ?
C23B C20 1.499(10) . ?
N1 C1 1.398(5) . ?
N1 H1N 0.76(5) . ?
N2 C16 1.399(5) . ?
N2 H2N 0.79(5) . ?
C1 C2 1.386(7) . ?
C1 C6 1.395(6) . ?
C2 C3 1.392(6) . ?
C2 H2 0.9500 . ?
C3 C4 1.380(9) . ?
C4 C5 1.375(10) . ?
C4 H4 0.9500 . ?
C5 C6 1.393(7) . ?
C6 H6 0.9500 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 C15 1.389(7) . ?
C10 C11 1.390(7) . ?
C11 C12 1.399(8) . ?
C11 H11 0.9500 . ?
C12 C13 1.347(10) . ?
C12 H12 0.9500 . ?
C13 C14 1.376(10) . ?
C13 H13 0.9500 . ?
C14 C15 1.391(8) . ?
C14 H14 0.9500 . ?
C15 H15 0.9500 . ?
C16 C21 1.384(6) . ?
C16 C17 1.392(5) . ?
C17 C18 1.392(7) . ?
C17 H17 0.9500 . ?
C18 C19 1.374(7) . ?
C19 C20 1.372(6) . ?
C19 H19 0.9500 . ?
C20 C21 1.388(6) . ?
C21 H21 0.9500 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 C26 1.388(6) . ?
C25 C30 1.398(6) . ?
C26 C27 1.386(8) . ?
C26 H26 0.9500 . ?
C27 C28 1.380(9) . ?
C27 H27 0.9500 . ?
C28 C29 1.376(9) . ?
C28 H28 0.9500 . ?
C29 C30 1.380(9) . ?
C29 H29 0.9500 . ?
C30 H30 0.9500 . ?

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
O1 P1 N1 113.62(18) . . ?
O1 P1 C9 114.6(2) . . ?
N1 P1 C9 101.57(18) . . ?
O1 P1 C10 110.82(18) . . ?
N1 P1 C10 109.0(2) . . ?
C9 P1 C10 106.7(2) . . ?
O2 P2 N2 113.78(18) . . ?
O2 P2 C24 114.1(2) . . ?
N2 P2 C24 101.3(2) . . ?
O2 P2 C25 110.76(19) . . ?
N2 P2 C25 108.1(2) . . ?
C24 P2 C25 108.2(2) . . ?
F3A C7A F1A 102.9(9) . . ?
F3A C7A F2A 102.6(8) . . ?
F1A C7A F2A 102.9(9) . . ?
F3A C7A C3 120.2(11) . . ?
F1A C7A C3 112.1(11) . . ?
F2A C7A C3 114.1(10) . . ?
F1B C7B F3B 109.0(9) . . ?
F1B C7B F2B 107.6(9) . . ?
F3B C7B F2B 107.8(9) . . ?
F1B C7B C3 115.1(13) . . ?
F3B C7B C3 106.8(10) . . ?
F2B C7B C3 110.4(10) . . ?
F6A C8A F5A 107.5(9) . . ?
F6A C8A F4A 108.0(10) . . ?
F5A C8A F4A 107.3(9) . . ?
F6A C8A C5 100.4(8) . . ?
F5A C8A C5 115.4(10) . . ?
F4A C8A C5 117.4(19) . . ?
F4B C8B F5B 108.2(8) . . ?
F4B C8B F6B 105.6(8) . . ?
F5B C8B F6B 104.3(7) . . ?
F4B C8B C5 106.8(12) . . ?
F5B C8B C5 110.8(6) . . ?
F6B C8B C5 120.5(6) . . ?
F7A C22A F9A 109.6(8) . . ?
F7A C22A F8A 104.0(7) . . ?
F9A C22A F8A 105.7(7) . . ?
F7A C22A C18 112.1(6) . . ?
F9A C22A C18 109.4(7) . . ?
F8A C22A C18 115.8(7) . . ?
F8B C22B F7B 104.5(10) . . ?
F8B C22B F9B 106.3(10) . . ?
F7B C22B F9B 105.7(10) . . ?
F8B C22B C18 105.7(12) . . ?
F7B C22B C18 123.6(11) . . ?
F9B C22B C18 109.8(14) . . ?
F10A C23A F12A 106.4(7) . . ?
F10A C23A F11A 106.1(7) . . ?
F12A C23A F11A 104.9(7) . . ?
F10A C23A C20 110.5(8) . . ?
F12A C23A C20 115.0(7) . . ?
F11A C23A C20 113.2(9) . . ?
F12B C23B F11B 108.2(8) . . ?
F12B C23B F10B 106.2(8) . . ?
F11B C23B F10B 105.8(8) . . ?
F12B C23B C20 112.9(7) . . ?
F11B C23B C20 109.8(10) . . ?
F10B C23B C20 113.6(8) . . ?
C1 N1 P1 128.6(3) . . ?
C1 N1 H1N 117(3) . . ?
P1 N1 H1N 114(3) . . ?
C16 N2 P2 126.7(3) . . ?
C16 N2 H2N 118(4) . . ?
P2 N2 H2N 114(4) . . ?
C2 C1 C6 120.1(4) . . ?
C2 C1 N1 117.7(4) . . ?
C6 C1 N1 122.2(4) . . ?
C1 C2 C3 119.7(5) . . ?
C1 C2 H2 120.2 . . ?
C3 C2 H2 120.2 . . ?
C4 C3 C2 120.7(6) . . ?
C4 C3 C7B 115.5(7) . . ?
C2 C3 C7B 123.7(8) . . ?
C4 C3 C7A 122.2(7) . . ?
C2 C3 C7A 116.9(7) . . ?
C5 C4 C3 119.2(5) . . ?
C5 C4 H4 120.4 . . ?
C3 C4 H4 120.4 . . ?
C4 C5 C6 121.4(5) . . ?
C4 C5 C8A 104.8(6) . . ?
C6 C5 C8A 133.5(7) . . ?
C4 C5 C8B 125.4(5) . . ?
C6 C5 C8B 113.1(6) . . ?
C5 C6 C1 118.8(6) . . ?
C5 C6 H6 120.6 . . ?
C1 C6 H6 120.6 . . ?
P1 C9 H9A 109.5 . . ?
P1 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
P1 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C15 C10 C11 119.0(5) . . ?
C15 C10 P1 118.4(4) . . ?
C11 C10 P1 122.7(4) . . ?
C10 C11 C12 119.4(6) . . ?
C10 C11 H11 120.3 . . ?
C12 C11 H11 120.3 . . ?
C13 C12 C11 120.5(6) . . ?
C13 C12 H12 119.7 . . ?
C11 C12 H12 119.7 . . ?
C12 C13 C14 121.3(5) . . ?
C12 C13 H13 119.3 . . ?
C14 C13 H13 119.3 . . ?
C13 C14 C15 119.0(6) . . ?
C13 C14 H14 120.5 . . ?
C15 C14 H14 120.5 . . ?
C10 C15 C14 120.7(6) . . ?
C10 C15 H15 119.6 . . ?
C14 C15 H15 119.6 . . ?
C21 C16 C17 119.0(4) . . ?
C21 C16 N2 122.6(3) . . ?
C17 C16 N2 118.4(4) . . ?
C16 C17 C18 119.9(4) . . ?
C16 C17 H17 120.1 . . ?
C18 C17 H17 120.1 . . ?
C19 C18 C17 121.3(4) . . ?
C19 C18 C22A 116.5(5) . . ?
C17 C18 C22A 122.1(5) . . ?
C19 C18 C22B 126.4(7) . . ?
C17 C18 C22B 110.4(7) . . ?
C20 C19 C18 118.3(4) . . ?
C20 C19 H19 120.9 . . ?
C18 C19 H19 120.9 . . ?
C19 C20 C21 121.8(4) . . ?
C19 C20 C23B 116.1(5) . . ?
C21 C20 C23B 121.8(5) . . ?
C19 C20 C23A 120.0(5) . . ?
C21 C20 C23A 118.1(5) . . ?
C16 C21 C20 119.7(4) . . ?
C16 C21 H21 120.1 . . ?
C20 C21 H21 120.1 . . ?
P2 C24 H24A 109.5 . . ?
P2 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
P2 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C26 C25 C30 118.9(5) . . ?
C26 C25 P2 119.6(4) . . ?
C30 C25 P2 121.5(4) . . ?
C27 C26 C25 120.0(5) . . ?
C27 C26 H26 120.0 . . ?
C25 C26 H26 120.0 . . ?
C28 C27 C26 120.4(5) . . ?
C28 C27 H27 119.8 . . ?
C26 C27 H27 119.8 . . ?
C29 C28 C27 120.1(6) . . ?
C29 C28 H28 119.9 . . ?
C27 C28 H28 119.9 . . ?
C28 C29 C30 119.9(5) . . ?
C28 C29 H29 120.0 . . ?
C30 C29 H29 120.0 . . ?
C29 C30 C25 120.7(5) . . ?
C29 C30 H30 119.7 . . ?
C25 C30 H30 119.7 . . ?

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
O1 P1 N1 C1 -46.7(4) . . . . ?
C9 P1 N1 C1 -170.3(4) . . . . ?
C10 P1 N1 C1 77.4(4) . . . . ?
O2 P2 N2 C16 -59.6(5) . . . . ?
C24 P2 N2 C16 177.5(4) . . . . ?
C25 P2 N2 C16 63.9(4) . . . . ?
P1 N1 C1 C2 -175.4(4) . . . . ?
P1 N1 C1 C6 3.2(7) . . . . ?
C6 C1 C2 C3 0.6(8) . . . . ?
N1 C1 C2 C3 179.2(5) . . . . ?
C1 C2 C3 C4 -0.8(9) . . . . ?
C1 C2 C3 C7B 179.7(8) . . . . ?
C1 C2 C3 C7A -175.8(8) . . . . ?
F1B C7B C3 C4 177.9(10) . . . . ?
F3B C7B C3 C4 56.8(11) . . . . ?
F2B C7B C3 C4 -60.1(12) . . . . ?
F1B C7B C3 C2 -2.6(15) . . . . ?
F3B C7B C3 C2 -123.6(10) . . . . ?
F2B C7B C3 C2 119.4(11) . . . . ?
F3A C7A C3 C4 43.6(14) . . . . ?
F1A C7A C3 C4 164.7(9) . . . . ?
F2A C7A C3 C4 -78.9(13) . . . . ?
F3A C7A C3 C2 -141.5(10) . . . . ?
F1A C7A C3 C2 -20.4(13) . . . . ?
F2A C7A C3 C2 96.0(12) . . . . ?
C2 C3 C4 C5 0.9(9) . . . . ?
C7B C3 C4 C5 -179.5(8) . . . . ?
C7A C3 C4 C5 175.6(8) . . . . ?
C3 C4 C5 C6 -0.9(9) . . . . ?
C3 C4 C5 C8A 174.1(8) . . . . ?
C3 C4 C5 C8B -177.6(6) . . . . ?
F6A C8A C5 C4 -161.1(8) . . . . ?
F5A C8A C5 C4 -45.9(11) . . . . ?
F4A C8A C5 C4 82.2(11) . . . . ?
F6A C8A C5 C6 12.9(15) . . . . ?
F5A C8A C5 C6 128.1(10) . . . . ?
F4A C8A C5 C6 -103.7(13) . . . . ?
F4B C8B C5 C4 46.9(10) . . . . ?
F5B C8B C5 C4 -70.7(9) . . . . ?
F6B C8B C5 C4 167.3(7) . . . . ?
F4B C8B C5 C6 -130.1(7) . . . . ?
F5B C8B C5 C6 112.3(7) . . . . ?
F6B C8B C5 C6 -9.7(9) . . . . ?
C4 C5 C6 C1 0.6(8) . . . . ?
C8A C5 C6 C1 -172.6(9) . . . . ?
C8B C5 C6 C1 177.7(5) . . . . ?
C2 C1 C6 C5 -0.5(7) . . . . ?
N1 C1 C6 C5 -179.1(5) . . . . ?
O1 P1 C10 C15 -63.5(4) . . . . ?
N1 P1 C10 C15 170.8(3) . . . . ?
C9 P1 C10 C15 61.9(4) . . . . ?
O1 P1 C10 C11 115.8(3) . . . . ?
N1 P1 C10 C11 -10.0(4) . . . . ?
C9 P1 C10 C11 -118.9(3) . . . . ?
C15 C10 C11 C12 0.9(6) . . . . ?
P1 C10 C11 C12 -178.4(4) . . . . ?
C10 C11 C12 C13 -1.5(7) . . . . ?
C11 C12 C13 C14 0.6(8) . . . . ?
C12 C13 C14 C15 0.8(8) . . . . ?
C11 C10 C15 C14 0.5(7) . . . . ?
P1 C10 C15 C14 179.8(4) . . . . ?
C13 C14 C15 C10 -1.4(8) . . . . ?
P2 N2 C16 C21 24.2(7) . . . . ?
P2 N2 C16 C17 -157.0(4) . . . . ?
C21 C16 C17 C18 0.5(7) . . . . ?
N2 C16 C17 C18 -178.3(5) . . . . ?
C16 C17 C18 C19 -0.1(9) . . . . ?
C16 C17 C18 C22A 175.3(6) . . . . ?
C16 C17 C18 C22B -165.3(9) . . . . ?
F7A C22A C18 C19 159.5(7) . . . . ?
F9A C22A C18 C19 -78.7(9) . . . . ?
F8A C22A C18 C19 40.5(10) . . . . ?
F7A C22A C18 C17 -16.1(11) . . . . ?
F9A C22A C18 C17 105.7(8) . . . . ?
F8A C22A C18 C17 -135.1(7) . . . . ?
F8B C22B C18 C19 101.0(12) . . . . ?
F7B C22B C18 C19 -139.1(12) . . . . ?
F9B C22B C18 C19 -13.3(15) . . . . ?
F8B C22B C18 C17 -94.8(11) . . . . ?
F7B C22B C18 C17 25.1(16) . . . . ?
F9B C22B C18 C17 150.9(10) . . . . ?
C17 C18 C19 C20 -0.8(9) . . . . ?
C22A C18 C19 C20 -176.4(6) . . . . ?
C22B C18 C19 C20 161.9(10) . . . . ?
C18 C19 C20 C21 1.3(9) . . . . ?
C18 C19 C20 C23B 175.0(7) . . . . ?
C18 C19 C20 C23A -176.5(7) . . . . ?
F12B C23B C20 C19 -165.6(8) . . . . ?
F11B C23B C20 C19 73.6(10) . . . . ?
F10B C23B C20 C19 -44.6(11) . . . . ?
F12B C23B C20 C21 8.2(12) . . . . ?
F11B C23B C20 C21 -112.6(9) . . . . ?
F10B C23B C20 C21 129.1(8) . . . . ?
F10A C23A C20 C19 -83.1(9) . . . . ?
F12A C23A C20 C19 156.3(8) . . . . ?
F11A C23A C20 C19 35.7(11) . . . . ?
F10A C23A C20 C21 99.0(9) . . . . ?
F12A C23A C20 C21 -21.5(11) . . . . ?
F11A C23A C20 C21 -142.2(8) . . . . ?
C17 C16 C21 C20 0.0(7) . . . . ?
N2 C16 C21 C20 178.7(4) . . . . ?
C19 C20 C21 C16 -0.9(8) . . . . ?
C23B C20 C21 C16 -174.3(6) . . . . ?
C23A C20 C21 C16 176.9(6) . . . . ?
O2 P2 C25 C26 3.4(4) . . . . ?
N2 P2 C25 C26 -122.0(3) . . . . ?
C24 P2 C25 C26 129.1(4) . . . . ?
O2 P2 C25 C30 -176.6(3) . . . . ?
N2 P2 C25 C30 58.1(4) . . . . ?
C24 P2 C25 C30 -50.9(4) . . . . ?
C30 C25 C26 C27 0.0(7) . . . . ?
P2 C25 C26 C27 -180.0(4) . . . . ?
C25 C26 C27 C28 0.1(8) . . . . ?
C26 C27 C28 C29 -0.1(8) . . . . ?
C27 C28 C29 C30 0.0(8) . . . . ?
C28 C29 C30 C25 0.1(8) . . . . ?
C26 C25 C30 C29 -0.1(7) . . . . ?
P2 C25 C30 C29 179.9(4) . . . . ?

_refine_diff_density_max         0.609
_refine_diff_density_min         -0.366
_refine_diff_density_rms         0.053

####################################################################### 
# 
# 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_sya01-551re
_database_code_depnum_ccdc_archive 'CCDC 1588293'
_audit_update_record             
;
2017-11-29 deposited with the CCDC.
2018-02-05 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2017/1
_shelx_SHELXL_version_number     2017/1
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C65 H60 Cl6 O4 Rh2'
_chemical_formula_weight         1323.65

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'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh 0.0927 3.6045 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'

_cell_length_a                   9.5240(5)
_cell_length_b                   17.1108(9)
_cell_length_c                   36.4272(16)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     5936.3(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    140(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       ?
_exptl_crystal_colour            ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.481
_exptl_crystal_F_000             2696
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_absorpt_coefficient_mu    7.354
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      140(2)
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_type           CuK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            25336
_diffrn_reflns_av_unetI/netI     0.0606
_diffrn_reflns_av_R_equivalents  0.0595
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_theta_min         2.853
_diffrn_reflns_theta_max         51.408
_diffrn_reflns_theta_full        51.408
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_point_group_measured_fraction_full 0.995
_reflns_number_total             6437
_reflns_number_gt                5489
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.757
_reflns_Friedel_fraction_max     0.992
_reflns_Friedel_fraction_full    0.992

_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.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0613P)²+7.1599P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Flack x determined using 1974 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.036(7)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         6437
_refine_ls_number_parameters     702
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0687
_refine_ls_R_factor_gt           0.0551
_refine_ls_wR_factor_ref         0.1295
_refine_ls_wR_factor_gt          0.1219
_refine_ls_goodness_of_fit_ref   1.103
_refine_ls_restrained_S_all      1.103
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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
Rh01 Rh 0.73889(13) 0.58582(7) 0.61761(3) 0.0508(4) Uani 1 1 d . . . . .
Rh02 Rh 0.40812(12) 0.50172(7) 0.64760(3) 0.0492(3) Uani 1 1 d . . . . .
Cl00 Cl 0.5472(4) 0.6209(2) 0.65886(10) 0.0560(11) Uani 1 1 d . . . . .
Cl1 Cl 0.5866(4) 0.4755(2) 0.60193(9) 0.0512(10) Uani 1 1 d . . . . .
Cl2 Cl 0.2776(5) 0.5646(3) 0.60008(12) 0.0778(14) Uani 1 1 d . . . . .
Cl3 Cl 0.8395(5) 0.5044(3) 0.66615(11) 0.0773(12) Uani 1 1 d . . . . .
Cl4 Cl 0.3988(10) 0.2733(4) 0.3209(2) 0.147(3) Uani 1 1 d . . . . .
Cl5 Cl 0.5652(9) 0.1892(6) 0.2671(2) 0.176(4) Uani 1 1 d . . . . .
O009 O 0.5680(13) 0.3047(6) 0.7439(3) 0.063(3) Uani 1 1 d . . . . .
O00A O 0.8573(13) 0.3942(7) 0.5611(3) 0.079(4) Uani 1 1 d . . . . .
O00B O 0.2661(14) 0.3700(7) 0.5642(3) 0.077(3) Uani 1 1 d . . . . .
O00C O 0.6506(13) 0.7909(7) 0.5177(3) 0.074(4) Uani 1 1 d . . . . .
C00D C 0.3350(17) 0.3034(10) 0.5742(4) 0.050(4) Uani 1 1 d . . . . .
C00E C 0.4896(17) 0.2491(9) 0.7258(4) 0.049(4) Uani 1 1 d . . . . .
C00F C 0.3268(15) 0.2857(9) 0.6127(4) 0.045(4) Uani 1 1 d . . . . .
C00G C 0.6874(17) 0.6592(11) 0.5003(4) 0.057(5) Uani 1 1 d . . . . .
C00H C 0.937(2) 0.6744(11) 0.3789(5) 0.070(5) Uani 1 1 d . . . . .
H00H H 0.980949 0.690658 0.356734 0.083 Uiso 1 1 calc R U . . .
C00I C 0.4061(17) 0.2085(9) 0.6662(4) 0.049(4) Uani 1 1 d . . . . .
C00J C 0.7032(17) 0.7396(9) 0.4911(4) 0.055(5) Uani 1 1 d . . . . .
C00K C 0.4486(18) 0.4599(10) 0.7016(4) 0.058(5) Uani 1 1 d . . . . .
H00K H 0.529772 0.473582 0.715354 0.070 Uiso 1 1 calc R U . . .
C00L C 0.9090(17) 0.5411(9) 0.5391(4) 0.060(4) Uani 1 1 d . . . . .
H00A H 0.964056 0.570371 0.520567 0.072 Uiso 1 1 calc R U . . .
H00B H 0.975192 0.505548 0.551742 0.072 Uiso 1 1 calc R U . . .
C00M C 0.7297(17) 0.6448(9) 0.5657(4) 0.049(4) Uani 1 1 d . . . . .
C00N C 0.6208(18) 0.6379(10) 0.5367(4) 0.061(5) Uani 1 1 d . . . . .
H00C H 0.541593 0.673633 0.541996 0.073 Uiso 1 1 calc R U . . .
H00D H 0.584275 0.583809 0.535753 0.073 Uiso 1 1 calc R U . . .
C00O C 0.4153(19) 0.1897(10) 0.7426(4) 0.059(5) Uani 1 1 d . . . . .
H00O H 0.416324 0.185454 0.768637 0.071 Uiso 1 1 calc R U . . .
C00P C 0.4825(17) 0.2580(9) 0.6880(4) 0.051(4) Uani 1 1 d . . . . .
C00Q C 0.644(2) 0.3895(10) 0.4758(5) 0.066(5) Uani 1 1 d . . . . .
C00R C 0.4365(19) 0.3940(10) 0.6771(4) 0.059(5) Uani 1 1 d . . . . .
C00S C 0.3180(19) 0.5014(11) 0.7018(4) 0.063(4) Uani 1 1 d . . . . .
C00T C 0.8131(16) 0.6264(10) 0.4434(4) 0.051(4) Uani 1 1 d . . . . .
C00U C 0.4021(17) 0.2223(9) 0.6261(4) 0.047(4) Uani 1 1 d . . . . .
C00V C 0.7443(19) 0.6041(8) 0.4780(4) 0.053(4) Uani 1 1 d . . . . .
C00W C 0.5456(16) 0.3311(8) 0.6712(4) 0.049(4) Uani 1 1 d . . . . .
H00E H 0.634670 0.345050 0.683601 0.059 Uiso 1 1 calc R U . . .
H00F H 0.564077 0.323530 0.644725 0.059 Uiso 1 1 calc R U . . .
C00X C 0.717(2) 0.3630(11) 0.5090(5) 0.076(6) Uani 1 1 d . . . . .
H00X H 0.710817 0.309672 0.516063 0.091 Uiso 1 1 calc R U . . .
C00Y C 0.5756(18) 0.4940(11) 0.4349(4) 0.064(4) Uani 1 1 d . . . . .
H00Y H 0.578129 0.547374 0.427779 0.076 Uiso 1 1 calc R U . . .
C00Z C 0.3386(18) 0.1357(10) 0.7219(4) 0.055(4) Uani 1 1 d . . . . .
C010 C 0.7356(18) 0.6984(9) 0.5942(4) 0.057(4) Uani 1 1 d . . . . .
H010 H 0.665668 0.736523 0.599182 0.069 Uiso 1 1 calc R U . . .
C011 C 0.8758(17) 0.5712(10) 0.4200(4) 0.060(5) Uani 1 1 d . . . . .
H011 H 0.877366 0.517347 0.426275 0.071 Uiso 1 1 calc R U . . .
C012 C 0.9360(18) 0.5977(10) 0.3870(4) 0.064(5) Uani 1 1 d . . . . .
H012 H 0.976153 0.561170 0.370436 0.077 Uiso 1 1 calc R U . . .
C013 C 0.761(2) 0.7613(9) 0.4594(4) 0.059(4) Uani 1 1 d . . . . .
H013 H 0.762218 0.815067 0.452992 0.071 Uiso 1 1 calc R U . . .
C014 C 0.413(2) 0.2587(10) 0.5511(4) 0.067(5) Uani 1 1 d . . . . .
H014 H 0.419303 0.272693 0.525941 0.080 Uiso 1 1 calc R U . . .
C015 C 0.6482(19) 0.4699(9) 0.4676(5) 0.059(5) Uani 1 1 d . . . . .
C016 C 0.640(2) 0.0815(11) 0.5543(5) 0.071(5) Uani 1 1 d . . . . .
H016 H 0.692113 0.049138 0.537997 0.085 Uiso 1 1 calc R U . . .
C017 C 0.263(2) 0.0733(11) 0.7380(5) 0.069(5) Uani 1 1 d . . . . .
H017 H 0.260629 0.068647 0.763938 0.082 Uiso 1 1 calc R U . . .
C018 C 0.3319(18) 0.1429(9) 0.6833(5) 0.058(5) Uani 1 1 d . . . . .
C019 C 0.2323(18) 0.3363(9) 0.6362(4) 0.055(4) Uani 1 1 d . . . . .
H01A H 0.166262 0.363801 0.619660 0.066 Uiso 1 1 calc R U . . .
H01B H 0.175739 0.301312 0.651990 0.066 Uiso 1 1 calc R U . . .
C01A C 0.8188(17) 0.7072(10) 0.4355(4) 0.053(5) Uani 1 1 d . . . . .
C01B C 0.8574(16) 0.5997(10) 0.5672(4) 0.055(4) Uani 1 1 d . . . . .
C01C C 0.8079(17) 0.4925(11) 0.5193(4) 0.057(4) Uani 1 1 d . . . . .
C01D C 0.7383(19) 0.5194(9) 0.4884(4) 0.057(4) Uani 1 1 d . . . . .
C01E C 0.2282(18) 0.4616(9) 0.6767(4) 0.060(4) Uani 1 1 d . . . . .
H01E H 0.134071 0.476218 0.671500 0.072 Uiso 1 1 calc R U . . .
C01F C 0.568(2) 0.1116(10) 0.6144(4) 0.069(5) Uani 1 1 d . . . . .
H01F H 0.570897 0.099382 0.639834 0.082 Uiso 1 1 calc R U . . .
C01G C 0.879(2) 0.7292(10) 0.4006(4) 0.068(5) Uani 1 1 d . . . . .
H01G H 0.877305 0.782281 0.393017 0.081 Uiso 1 1 calc R U . . .
C01H C 0.6415(19) 0.0678(9) 0.5911(4) 0.062(5) Uani 1 1 d . . . . .
H01H H 0.696332 0.025862 0.600418 0.074 Uiso 1 1 calc R U . . .
C01I C 0.7922(19) 0.4116(11) 0.5291(5) 0.064(5) Uani 1 1 d . . . . .
C01J C 0.561(2) 0.1438(10) 0.5409(4) 0.066(5) Uani 1 1 d . . . . .
H01J H 0.559828 0.153104 0.515148 0.079 Uiso 1 1 calc R U . . .
C01K C 0.2542(19) 0.0896(9) 0.6622(4) 0.063(4) Uani 1 1 d . . . . .
H01K H 0.247438 0.095602 0.636296 0.076 Uiso 1 1 calc R U . . .
C01L C 0.706(2) 0.8649(11) 0.5182(5) 0.084(6) Uani 1 1 d . . . . .
H01C H 0.686945 0.890604 0.494719 0.125 Uiso 1 1 calc R U . . .
H01D H 0.807400 0.861897 0.522221 0.125 Uiso 1 1 calc R U . . .
H01I H 0.662474 0.894950 0.538135 0.125 Uiso 1 1 calc R U . . .
C01M C 0.502(2) 0.3619(12) 0.4224(6) 0.090(7) Uani 1 1 d . . . . .
H01M H 0.454331 0.325879 0.407006 0.108 Uiso 1 1 calc R U . . .
C01N C 0.193(2) 0.0201(10) 0.7174(5) 0.077(6) Uani 1 1 d . . . . .
H01N H 0.148306 -0.023014 0.728791 0.093 Uiso 1 1 calc R U . . .
C01O C 0.4860(18) 0.1924(10) 0.5635(4) 0.051(4) Uani 1 1 d . . . . .
C01P C 0.572(2) 0.3372(11) 0.4535(6) 0.080(6) Uani 1 1 d . . . . .
H01P H 0.570906 0.283307 0.459730 0.096 Uiso 1 1 calc R U . . .
C01Q C 0.316(2) 0.4117(11) 0.5326(4) 0.080(6) Uani 1 1 d . . . . .
H01L H 0.297178 0.381044 0.510409 0.121 Uiso 1 1 calc R U . . .
H01O H 0.417636 0.420219 0.534895 0.121 Uiso 1 1 calc R U . . .
H01Q H 0.268273 0.462206 0.530891 0.121 Uiso 1 1 calc R U . . .
C01R C 0.564(2) 0.3069(11) 0.7825(4) 0.080(6) Uani 1 1 d . . . . .
H01R H 0.465880 0.307975 0.790705 0.120 Uiso 1 1 calc R U . . .
H01S H 0.612271 0.353875 0.791223 0.120 Uiso 1 1 calc R U . . .
H01T H 0.610393 0.260385 0.792370 0.120 Uiso 1 1 calc R U . . .
C01S C 0.283(2) 0.5692(11) 0.7250(5) 0.079(6) Uani 1 1 d . . . . .
H01U H 0.370824 0.601161 0.727456 0.094 Uiso 1 1 calc R U . . .
C01T C 0.504(2) 0.4428(12) 0.4142(5) 0.076(6) Uani 1 1 d . . . . .
H01V H 0.453897 0.461339 0.393508 0.091 Uiso 1 1 calc R U . . .
C01U C 0.4829(17) 0.1771(9) 0.6026(4) 0.054(5) Uani 1 1 d . . . . .
C01V C 0.3000(16) 0.3962(9) 0.6604(4) 0.051(4) Uani 1 1 d . . . . .
C01W C 0.8631(19) 0.6882(11) 0.6152(5) 0.071(5) Uani 1 1 d . . . . .
C01X C 0.188(2) 0.0289(10) 0.6796(5) 0.075(6) Uani 1 1 d . . . . .
H01X H 0.137978 -0.008284 0.665337 0.090 Uiso 1 1 calc R U . . .
C01Y C 0.931(2) 0.6290(11) 0.5973(5) 0.076(5) Uani 1 1 d . . . . .
H01Y H 1.020116 0.609576 0.604636 0.091 Uiso 1 1 calc R U . . .
C01Z C 0.923(3) 0.7389(11) 0.6459(6) 0.101(7) Uani 1 1 d . . . . .
H01Z H 0.981849 0.705413 0.662176 0.121 Uiso 1 1 calc R U . . .
C020 C 0.818(2) 0.3205(11) 0.5775(5) 0.102(8) Uani 1 1 d . . . . .
H02A H 0.859666 0.277440 0.563590 0.153 Uiso 1 1 calc R U . . .
H02B H 0.715225 0.315347 0.577259 0.153 Uiso 1 1 calc R U . . .
H02C H 0.851386 0.318714 0.602953 0.153 Uiso 1 1 calc R U . . .
C021 C 0.419(3) 0.1917(14) 0.2921(6) 0.116(8) Uani 1 1 d . . . . .
H02P H 0.415654 0.143992 0.307444 0.139 Uiso 1 1 calc R U . . .
H02Q H 0.337514 0.189740 0.275200 0.139 Uiso 1 1 calc R U . . .
C022 C 0.172(2) 0.6215(13) 0.7080(7) 0.117(9) Uani 1 1 d . . . . .
H02D H 0.196115 0.631646 0.682243 0.175 Uiso 1 1 calc R U . . .
H02E H 0.167908 0.671046 0.721398 0.175 Uiso 1 1 calc R U . . .
H02F H 0.080595 0.595447 0.709237 0.175 Uiso 1 1 calc R U . . .
C023 C 0.811(3) 0.7749(19) 0.6682(7) 0.177(15) Uani 1 1 d . . . . .
H02G H 0.792982 0.828188 0.659426 0.265 Uiso 1 1 calc R U . . .
H02H H 0.840157 0.776640 0.693946 0.265 Uiso 1 1 calc R U . . .
H02I H 0.724626 0.743902 0.665997 0.265 Uiso 1 1 calc R U . . .
C024 C 0.249(3) 0.5366(13) 0.7635(6) 0.157(12) Uani 1 1 d . . . . .
H02J H 0.163670 0.504721 0.762214 0.235 Uiso 1 1 calc R U . . .
H02K H 0.234345 0.579979 0.780624 0.235 Uiso 1 1 calc R U . . .
H02L H 0.327379 0.504233 0.772112 0.235 Uiso 1 1 calc R U . . .
C025 C 1.009(4) 0.8025(18) 0.6317(9) 0.25(3) Uani 1 1 d . . . . .
H02M H 1.050558 0.786890 0.608140 0.380 Uiso 1 1 calc R U . . .
H02N H 1.084368 0.814175 0.649221 0.380 Uiso 1 1 calc R U . . .
H02O H 0.951031 0.849104 0.628113 0.380 Uiso 1 1 calc R U . . .


_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
Rh01 C010 2.107(14) . ?
Rh01 C01Y 2.107(18) . ?
Rh01 C01W 2.116(17) . ?
Rh01 C00M 2.145(14) . ?
Rh01 C01B 2.168(15) . ?
Rh01 Cl00 2.439(4) . ?
Rh01 Cl3 2.446(5) . ?
Rh01 Cl1 2.448(4) . ?
Rh02 C00K 2.129(16) . ?
Rh02 C01E 2.129(16) . ?
Rh02 C01V 2.130(16) . ?
Rh02 C00R 2.151(15) . ?
Rh02 C00S 2.154(14) . ?
Rh02 Cl2 2.387(4) . ?
Rh02 Cl1 2.420(4) . ?
Rh02 Cl00 2.465(4) . ?
Cl4 C021 1.76(2) . ?
Cl5 C021 1.67(2) . ?
O009 C00E 1.379(18) . ?
O009 C01R 1.405(16) . ?
O00A C01I 1.35(2) . ?
O00A C020 1.45(2) . ?
O00B C00D 1.365(18) . ?
O00B C01Q 1.436(18) . ?
O00C C01L 1.37(2) . ?
O00C C00J 1.401(18) . ?
C00D C014 1.36(2) . ?
C00D C00F 1.44(2) . ?
C00E C00O 1.38(2) . ?
C00E C00P 1.39(2) . ?
C00F C00U 1.39(2) . ?
C00F C019 1.51(2) . ?
C00G C00V 1.36(2) . ?
C00G C00J 1.42(2) . ?
C00G C00N 1.51(2) . ?
C00H C012 1.35(2) . ?
C00H C01G 1.35(2) . ?
C00H H00H 0.9500 . ?
C00I C00P 1.37(2) . ?
C00I C018 1.47(2) . ?
C00I C00U 1.479(19) . ?
C00J C013 1.33(2) . ?
C00K C00S 1.43(2) . ?
C00K C00R 1.44(2) . ?
C00K H00K 0.9500 . ?
C00L C01C 1.46(2) . ?
C00L C01B 1.52(2) . ?
C00L H00A 0.9900 . ?
C00L H00B 0.9900 . ?
C00M C010 1.38(2) . ?
C00M C01B 1.44(2) . ?
C00M C00N 1.49(2) . ?
C00N H00C 0.9900 . ?
C00N H00D 0.9900 . ?
C00O C00Z 1.40(2) . ?
C00O H00O 0.9500 . ?
C00P C00W 1.52(2) . ?
C00Q C01P 1.39(2) . ?
C00Q C015 1.41(2) . ?
C00Q C00X 1.47(2) . ?
C00R C01V 1.44(2) . ?
C00R C00W 1.51(2) . ?
C00S C01E 1.43(2) . ?
C00S C01S 1.47(2) . ?
C00T C011 1.41(2) . ?
C00T C01A 1.41(2) . ?
C00T C00V 1.47(2) . ?
C00U C01U 1.39(2) . ?
C00V C01D 1.50(2) . ?
C00W H00E 0.9900 . ?
C00W H00F 0.9900 . ?
C00X C01I 1.32(2) . ?
C00X H00X 0.9500 . ?
C00Y C01T 1.34(2) . ?
C00Y C015 1.44(2) . ?
C00Y H00Y 0.9500 . ?
C00Z C018 1.41(2) . ?
C00Z C017 1.42(2) . ?
C010 C01W 1.45(2) . ?
C010 H010 0.9500 . ?
C011 C012 1.40(2) . ?
C011 H011 0.9500 . ?
C012 H012 0.9500 . ?
C013 C01A 1.38(2) . ?
C013 H013 0.9500 . ?
C014 C01O 1.40(2) . ?
C014 H014 0.9500 . ?
C015 C01D 1.42(2) . ?
C016 C01H 1.36(2) . ?
C016 C01J 1.39(2) . ?
C016 H016 0.9500 . ?
C017 C01N 1.35(2) . ?
C017 H017 0.9500 . ?
C018 C01K 1.40(2) . ?
C019 C01V 1.50(2) . ?
C019 H01A 0.9900 . ?
C019 H01B 0.9900 . ?
C01A C01G 1.44(2) . ?
C01B C01Y 1.39(2) . ?
C01C C01D 1.38(2) . ?
C01C C01I 1.44(2) . ?
C01E C01V 1.44(2) . ?
C01E H01E 0.9500 . ?
C01F C01H 1.33(2) . ?
C01F C01U 1.45(2) . ?
C01F H01F 0.9500 . ?
C01G H01G 0.9500 . ?
C01H H01H 0.9500 . ?
C01J C01O 1.38(2) . ?
C01J H01J 0.9500 . ?
C01K C01X 1.37(2) . ?
C01K H01K 0.9500 . ?
C01L H01C 0.9800 . ?
C01L H01D 0.9800 . ?
C01L H01I 0.9800 . ?
C01M C01P 1.38(3) . ?
C01M C01T 1.42(2) . ?
C01M H01M 0.9500 . ?
C01N C01X 1.39(2) . ?
C01N H01N 0.9500 . ?
C01O C01U 1.45(2) . ?
C01P H01P 0.9500 . ?
C01Q H01L 0.9800 . ?
C01Q H01O 0.9800 . ?
C01Q H01Q 0.9800 . ?
C01R H01R 0.9800 . ?
C01R H01S 0.9800 . ?
C01R H01T 0.9800 . ?
C01S C022 1.52(3) . ?
C01S C024 1.54(2) . ?
C01S H01U 1.0000 . ?
C01T H01V 0.9500 . ?
C01W C01Y 1.37(2) . ?
C01W C01Z 1.52(3) . ?
C01X H01X 0.9500 . ?
C01Y H01Y 0.9500 . ?
C01Z C025 1.46(3) . ?
C01Z C023 1.48(3) . ?
C01Z H01Z 1.0000 . ?
C020 H02A 0.9800 . ?
C020 H02B 0.9800 . ?
C020 H02C 0.9800 . ?
C021 H02P 0.9900 . ?
C021 H02Q 0.9900 . ?
C022 H02D 0.9800 . ?
C022 H02E 0.9800 . ?
C022 H02F 0.9800 . ?
C023 H02G 0.9800 . ?
C023 H02H 0.9800 . ?
C023 H02I 0.9800 . ?
C024 H02J 0.9800 . ?
C024 H02K 0.9800 . ?
C024 H02L 0.9800 . ?
C025 H02M 0.9800 . ?
C025 H02N 0.9800 . ?
C025 H02O 0.9800 . ?

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
C010 Rh01 C01Y 63.3(7) . . ?
C010 Rh01 C01W 40.0(7) . . ?
C01Y Rh01 C01W 37.8(6) . . ?
C010 Rh01 C00M 38.0(5) . . ?
C01Y Rh01 C00M 63.9(7) . . ?
C01W Rh01 C00M 66.2(7) . . ?
C010 Rh01 C01B 64.2(6) . . ?
C01Y Rh01 C01B 38.0(6) . . ?
C01W Rh01 C01B 65.4(7) . . ?
C00M Rh01 C01B 39.0(6) . . ?
C010 Rh01 Cl00 90.8(5) . . ?
C01Y Rh01 Cl00 141.3(6) . . ?
C01W Rh01 Cl00 103.9(5) . . ?
C00M Rh01 Cl00 113.4(4) . . ?
C01B Rh01 Cl00 152.2(5) . . ?
C010 Rh01 Cl3 145.0(5) . . ?
C01Y Rh01 Cl3 96.5(5) . . ?
C01W Rh01 Cl3 106.4(6) . . ?
C00M Rh01 Cl3 157.1(5) . . ?
C01B Rh01 Cl3 118.1(5) . . ?
Cl00 Rh01 Cl3 89.31(14) . . ?
C010 Rh01 Cl1 127.0(5) . . ?
C01Y Rh01 Cl1 134.6(6) . . ?
C01W Rh01 Cl1 163.7(5) . . ?
C00M Rh01 Cl1 97.7(4) . . ?
C01B Rh01 Cl1 101.3(5) . . ?
Cl00 Rh01 Cl1 83.67(14) . . ?
Cl3 Rh01 Cl1 87.81(16) . . ?
C00K Rh02 C01E 65.0(6) . . ?
C00K Rh02 C01V 66.5(5) . . ?
C01E Rh02 C01V 39.5(5) . . ?
C00K Rh02 C00R 39.4(6) . . ?
C01E Rh02 C00R 64.9(6) . . ?
C01V Rh02 C00R 39.2(6) . . ?
C00K Rh02 C00S 39.0(6) . . ?
C01E Rh02 C00S 38.9(6) . . ?
C01V Rh02 C00S 66.7(6) . . ?
C00R Rh02 C00S 65.8(7) . . ?
C00K Rh02 Cl2 156.3(5) . . ?
C01E Rh02 Cl2 95.0(5) . . ?
C01V Rh02 Cl2 106.8(4) . . ?
C00R Rh02 Cl2 144.5(5) . . ?
C00S Rh02 Cl2 117.3(5) . . ?
C00K Rh02 Cl1 116.5(5) . . ?
C01E Rh02 Cl1 148.0(4) . . ?
C01V Rh02 Cl1 109.4(4) . . ?
C00R Rh02 Cl1 95.5(5) . . ?
C00S Rh02 Cl1 155.5(5) . . ?
Cl2 Rh02 Cl1 87.17(15) . . ?
C00K Rh02 Cl00 91.5(4) . . ?
C01E Rh02 Cl00 128.0(4) . . ?
C01V Rh02 Cl00 157.6(4) . . ?
C00R Rh02 Cl00 123.9(5) . . ?
C00S Rh02 Cl00 93.7(5) . . ?
Cl2 Rh02 Cl00 91.60(15) . . ?
Cl1 Rh02 Cl00 83.71(13) . . ?
Rh01 Cl00 Rh02 95.54(13) . . ?
Rh02 Cl1 Rh01 96.47(12) . . ?
C00E O009 C01R 118.8(13) . . ?
C01I O00A C020 115.4(16) . . ?
C00D O00B C01Q 118.0(14) . . ?
C01L O00C C00J 116.8(13) . . ?
C014 C00D O00B 124.6(14) . . ?
C014 C00D C00F 120.9(15) . . ?
O00B C00D C00F 114.4(14) . . ?
O009 C00E C00O 124.9(14) . . ?
O009 C00E C00P 115.2(14) . . ?
C00O C00E C00P 119.8(16) . . ?
C00U C00F C00D 118.7(14) . . ?
C00U C00F C019 123.7(13) . . ?
C00D C00F C019 117.6(14) . . ?
C00V C00G C00J 119.2(15) . . ?
C00V C00G C00N 121.7(15) . . ?
C00J C00G C00N 118.8(15) . . ?
C012 C00H C01G 123.1(16) . . ?
C012 C00H H00H 118.5 . . ?
C01G C00H H00H 118.5 . . ?
C00P C00I C018 118.9(14) . . ?
C00P C00I C00U 119.1(14) . . ?
C018 C00I C00U 121.9(14) . . ?
C013 C00J O00C 125.0(14) . . ?
C013 C00J C00G 121.0(15) . . ?
O00C C00J C00G 113.9(13) . . ?
C00S C00K C00R 108.7(14) . . ?
C00S C00K Rh02 71.4(9) . . ?
C00R C00K Rh02 71.1(8) . . ?
C00S C00K H00K 125.6 . . ?
C00R C00K H00K 125.6 . . ?
Rh02 C00K H00K 123.5 . . ?
C01C C00L C01B 119.7(14) . . ?
C01C C00L H00A 107.4 . . ?
C01B C00L H00A 107.4 . . ?
C01C C00L H00B 107.4 . . ?
C01B C00L H00B 107.4 . . ?
H00A C00L H00B 106.9 . . ?
C010 C00M C01B 107.0(14) . . ?
C010 C00M C00N 127.8(16) . . ?
C01B C00M C00N 125.0(14) . . ?
C010 C00M Rh01 69.5(8) . . ?
C01B C00M Rh01 71.4(8) . . ?
C00N C00M Rh01 128.2(10) . . ?
C00M C00N C00G 108.2(14) . . ?
C00M C00N H00C 110.1 . . ?
C00G C00N H00C 110.1 . . ?
C00M C00N H00D 110.1 . . ?
C00G C00N H00D 110.1 . . ?
H00C C00N H00D 108.4 . . ?
C00E C00O C00Z 120.9(14) . . ?
C00E C00O H00O 119.6 . . ?
C00Z C00O H00O 119.6 . . ?
C00I C00P C00E 122.2(15) . . ?
C00I C00P C00W 119.2(14) . . ?
C00E C00P C00W 118.1(15) . . ?
C01P C00Q C015 121.3(18) . . ?
C01P C00Q C00X 121.2(18) . . ?
C015 C00Q C00X 117.5(17) . . ?
C01V C00R C00K 108.3(15) . . ?
C01V C00R C00W 125.6(15) . . ?
C00K C00R C00W 126.1(15) . . ?
C01V C00R Rh02 69.6(9) . . ?
C00K C00R Rh02 69.5(9) . . ?
C00W C00R Rh02 128.7(10) . . ?
C01E C00S C00K 106.4(14) . . ?
C01E C00S C01S 127.6(17) . . ?
C00K C00S C01S 126.0(16) . . ?
C01E C00S Rh02 69.6(8) . . ?
C00K C00S Rh02 69.5(9) . . ?
C01S C00S Rh02 127.8(13) . . ?
C011 C00T C01A 121.1(14) . . ?
C011 C00T C00V 122.4(14) . . ?
C01A C00T C00V 116.5(14) . . ?
C01U C00U C00F 120.3(13) . . ?
C01U C00U C00I 120.4(15) . . ?
C00F C00U C00I 119.0(13) . . ?
C00G C00V C00T 120.7(14) . . ?
C00G C00V C01D 120.2(14) . . ?
C00T C00V C01D 119.0(14) . . ?
C00R C00W C00P 105.0(12) . . ?
C00R C00W H00E 110.8 . . ?
C00P C00W H00E 110.8 . . ?
C00R C00W H00F 110.8 . . ?
C00P C00W H00F 110.8 . . ?
H00E C00W H00F 108.8 . . ?
C01I C00X C00Q 121.4(17) . . ?
C01I C00X H00X 119.3 . . ?
C00Q C00X H00X 119.3 . . ?
C01T C00Y C015 121.5(16) . . ?
C01T C00Y H00Y 119.3 . . ?
C015 C00Y H00Y 119.3 . . ?
C00O C00Z C018 120.2(15) . . ?
C00O C00Z C017 122.9(15) . . ?
C018 C00Z C017 116.9(16) . . ?
C00M C010 C01W 110.5(15) . . ?
C00M C010 Rh01 72.5(9) . . ?
C01W C010 Rh01 70.3(9) . . ?
C00M C010 H010 124.7 . . ?
C01W C010 H010 124.7 . . ?
Rh01 C010 H010 124.1 . . ?
C012 C011 C00T 118.4(15) . . ?
C012 C011 H011 120.8 . . ?
C00T C011 H011 120.8 . . ?
C00H C012 C011 120.4(15) . . ?
C00H C012 H012 119.8 . . ?
C011 C012 H012 119.8 . . ?
C00J C013 C01A 121.6(14) . . ?
C00J C013 H013 119.2 . . ?
C01A C013 H013 119.2 . . ?
C00D C014 C01O 121.7(15) . . ?
C00D C014 H014 119.1 . . ?
C01O C014 H014 119.1 . . ?
C00Q C015 C01D 119.0(17) . . ?
C00Q C015 C00Y 116.2(17) . . ?
C01D C015 C00Y 124.2(14) . . ?
C01H C016 C01J 118.9(16) . . ?
C01H C016 H016 120.6 . . ?
C01J C016 H016 120.6 . . ?
C01N C017 C00Z 121.9(16) . . ?
C01N C017 H017 119.0 . . ?
C00Z C017 H017 119.0 . . ?
C01K C018 C00Z 120.9(15) . . ?
C01K C018 C00I 121.2(15) . . ?
C00Z C018 C00I 117.9(15) . . ?
C01V C019 C00F 117.9(14) . . ?
C01V C019 H01A 107.8 . . ?
C00F C019 H01A 107.8 . . ?
C01V C019 H01B 107.8 . . ?
C00F C019 H01B 107.8 . . ?
H01A C019 H01B 107.2 . . ?
C013 C01A C00T 120.7(13) . . ?
C013 C01A C01G 122.5(15) . . ?
C00T C01A C01G 116.7(16) . . ?
C01Y C01B C00M 105.2(14) . . ?
C01Y C01B C00L 127.3(16) . . ?
C00M C01B C00L 127.1(15) . . ?
C01Y C01B Rh01 68.7(10) . . ?
C00M C01B Rh01 69.6(8) . . ?
C00L C01B Rh01 132.0(12) . . ?
C01D C01C C01I 118.2(16) . . ?
C01D C01C C00L 121.8(16) . . ?
C01I C01C C00L 119.5(16) . . ?
C01C C01D C015 121.7(15) . . ?
C01C C01D C00V 120.6(16) . . ?
C015 C01D C00V 117.5(15) . . ?
C00S C01E C01V 110.6(15) . . ?
C00S C01E Rh02 71.5(9) . . ?
C01V C01E Rh02 70.3(9) . . ?
C00S C01E H01E 124.7 . . ?
C01V C01E H01E 124.7 . . ?
Rh02 C01E H01E 125.1 . . ?
C01H C01F C01U 122.7(15) . . ?
C01H C01F H01F 118.6 . . ?
C01U C01F H01F 118.6 . . ?
C00H C01G C01A 120.0(16) . . ?
C00H C01G H01G 120.0 . . ?
C01A C01G H01G 120.0 . . ?
C01F C01H C016 121.7(16) . . ?
C01F C01H H01H 119.2 . . ?
C016 C01H H01H 119.2 . . ?
C00X C01I O00A 126.0(18) . . ?
C00X C01I C01C 121.6(17) . . ?
O00A C01I C01C 112.3(17) . . ?
C01O C01J C016 122.3(15) . . ?
C01O C01J H01J 118.9 . . ?
C016 C01J H01J 118.9 . . ?
C01X C01K C018 118.7(15) . . ?
C01X C01K H01K 120.6 . . ?
C018 C01K H01K 120.6 . . ?
O00C C01L H01C 109.5 . . ?
O00C C01L H01D 109.5 . . ?
H01C C01L H01D 109.5 . . ?
O00C C01L H01I 109.5 . . ?
H01C C01L H01I 109.5 . . ?
H01D C01L H01I 109.5 . . ?
C01P C01M C01T 117.7(18) . . ?
C01P C01M H01M 121.1 . . ?
C01T C01M H01M 121.1 . . ?
C017 C01N C01X 119.7(16) . . ?
C017 C01N H01N 120.1 . . ?
C01X C01N H01N 120.1 . . ?
C01J C01O C014 123.5(15) . . ?
C01J C01O C01U 119.5(16) . . ?
C014 C01O C01U 117.0(15) . . ?
C01M C01P C00Q 121.3(17) . . ?
C01M C01P H01P 119.3 . . ?
C00Q C01P H01P 119.3 . . ?
O00B C01Q H01L 109.5 . . ?
O00B C01Q H01O 109.5 . . ?
H01L C01Q H01O 109.5 . . ?
O00B C01Q H01Q 109.5 . . ?
H01L C01Q H01Q 109.5 . . ?
H01O C01Q H01Q 109.5 . . ?
O009 C01R H01R 109.5 . . ?
O009 C01R H01S 109.5 . . ?
H01R C01R H01S 109.5 . . ?
O009 C01R H01T 109.5 . . ?
H01R C01R H01T 109.5 . . ?
H01S C01R H01T 109.5 . . ?
C00S C01S C022 112.6(16) . . ?
C00S C01S C024 106.4(15) . . ?
C022 C01S C024 115.9(19) . . ?
C00S C01S H01U 107.1 . . ?
C022 C01S H01U 107.1 . . ?
C024 C01S H01U 107.1 . . ?
C00Y C01T C01M 121.9(19) . . ?
C00Y C01T H01V 119.0 . . ?
C01M C01T H01V 119.0 . . ?
C00U C01U C01F 123.9(15) . . ?
C00U C01U C01O 121.2(16) . . ?
C01F C01U C01O 114.9(15) . . ?
C00R C01V C01E 106.0(14) . . ?
C00R C01V C019 128.4(14) . . ?
C01E C01V C019 124.8(14) . . ?
C00R C01V Rh02 71.2(9) . . ?
C01E C01V Rh02 70.2(9) . . ?
C019 C01V Rh02 131.3(10) . . ?
C01Y C01W C010 103.5(17) . . ?
C01Y C01W C01Z 126.6(19) . . ?
C010 C01W C01Z 129.2(19) . . ?
C01Y C01W Rh01 70.8(11) . . ?
C010 C01W Rh01 69.7(9) . . ?
C01Z C01W Rh01 130.5(13) . . ?
C01K C01X C01N 121.7(16) . . ?
C01K C01X H01X 119.2 . . ?
C01N C01X H01X 119.2 . . ?
C01W C01Y C01B 113.8(18) . . ?
C01W C01Y Rh01 71.4(11) . . ?
C01B C01Y Rh01 73.4(10) . . ?
C01W C01Y H01Y 123.1 . . ?
C01B C01Y H01Y 123.1 . . ?
Rh01 C01Y H01Y 123.6 . . ?
C025 C01Z C023 107(2) . . ?
C025 C01Z C01W 112(2) . . ?
C023 C01Z C01W 112(2) . . ?
C025 C01Z H01Z 108.6 . . ?
C023 C01Z H01Z 108.6 . . ?
C01W C01Z H01Z 108.6 . . ?
O00A C020 H02A 109.5 . . ?
O00A C020 H02B 109.5 . . ?
H02A C020 H02B 109.5 . . ?
O00A C020 H02C 109.5 . . ?
H02A C020 H02C 109.5 . . ?
H02B C020 H02C 109.5 . . ?
Cl5 C021 Cl4 116.0(15) . . ?
Cl5 C021 H02P 108.3 . . ?
Cl4 C021 H02P 108.3 . . ?
Cl5 C021 H02Q 108.3 . . ?
Cl4 C021 H02Q 108.3 . . ?
H02P C021 H02Q 107.4 . . ?
C01S C022 H02D 109.5 . . ?
C01S C022 H02E 109.5 . . ?
H02D C022 H02E 109.5 . . ?
C01S C022 H02F 109.5 . . ?
H02D C022 H02F 109.5 . . ?
H02E C022 H02F 109.5 . . ?
C01Z C023 H02G 109.5 . . ?
C01Z C023 H02H 109.5 . . ?
H02G C023 H02H 109.5 . . ?
C01Z C023 H02I 109.5 . . ?
H02G C023 H02I 109.5 . . ?
H02H C023 H02I 109.5 . . ?
C01S C024 H02J 109.5 . . ?
C01S C024 H02K 109.5 . . ?
H02J C024 H02K 109.5 . . ?
C01S C024 H02L 109.5 . . ?
H02J C024 H02L 109.5 . . ?
H02K C024 H02L 109.5 . . ?
C01Z C025 H02M 109.5 . . ?
C01Z C025 H02N 109.5 . . ?
H02M C025 H02N 109.5 . . ?
C01Z C025 H02O 109.5 . . ?
H02M C025 H02O 109.5 . . ?
H02N C025 H02O 109.5 . . ?

_refine_diff_density_max         1.001
_refine_diff_density_min         -0.545
_refine_diff_density_rms         0.081

