# Electronic Supplementary Material (ESI) for Dalton Transactions.
# 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_HB_3-1-1_scale_sq
_database_code_depnum_ccdc_archive 'CCDC 1834291'
_audit_update_record             
;
2018-04-03 deposited with the CCDC.
2018-06-26 downloaded from the CCDC.
;
_audit_creation_date             2017-06-08
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.03.28 svn.r3405 for OlexSys, GUI svn.r5337)
;
_shelxl_version_number           2014/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C73 H60 Cl2 P4 Rh2, C H2 Cl2'
_chemical_formula_sum            'C74 H62 Cl4 P4 Rh2'
_chemical_formula_weight         1422.73
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 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'
Rh Rh 0.0927 3.6045 '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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   12.5983(2)
_cell_length_b                   13.8742(3)
_cell_length_c                   20.5650(4)
_cell_angle_alpha                85.461(2)
_cell_angle_beta                 84.2380(10)
_cell_angle_gamma                75.2850(10)
_cell_volume                     3453.74(12)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    29219
_cell_measurement_temperature    150.00(10)
_cell_measurement_theta_max      73.6300
_cell_measurement_theta_min      3.8500
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    6.473
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.70629
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.46 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            red
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.368
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1448
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
1 -8 1 0.0522
0 9 -1 0.0277
6 6 -4 0.1136
-7 -4 4 0.1016
0 0 -13 0.0634
0 0 13 0.0650
7 5 5 0.0991
-8 -5 -2 0.1027
-2 -6 -10 0.0775

_exptl_crystal_size_max          0.265
_exptl_crystal_size_mid          0.139
_exptl_crystal_size_min          0.092
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
0.9972 -7.9944 0.9911 -0.6095 0.7146 -0.2195
0.0022 8.9935 -0.9908 0.6691 -0.7137 0.3555
5.9966 5.9954 -3.9952 0.1546 -0.1772 0.9437
-6.9952 -3.9967 3.9977 0.0258 -0.0464 -0.9719
0.0001 0.0037 -12.9907 -0.6594 -0.5938 0.4151
-0.0001 -0.0037 12.9907 0.6594 0.5938 -0.4151
6.9954 4.9934 4.9968 0.5107 0.3832 0.7204
-7.9946 -4.9941 -1.9984 -0.3381 -0.3213 -0.9163
-1.9998 -5.9922 -9.9973 -0.9463 -0.1617 -0.0964

_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0268
_diffrn_reflns_av_unetI/netI     0.0227
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            53961
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         73.835
_diffrn_reflns_theta_min         2.163
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      150.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 8.1297
_diffrn_detector_type            EosS2
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -64.00 -30.00   1.00    1.00    --  -37.04  77.00-120.00   34
  2  ω     -3.00  30.00   1.00    1.00    --  -37.04  77.00-120.00   33
  3  ω     65.00  90.00   1.00    1.00    --   37.04  57.00   0.00   25
  4  ω     58.00  85.00   1.00    1.00    --   37.04  38.00  60.00   27
  5  ω     47.00  74.00   1.00    1.00    --   37.04  38.00 -30.00   27
  6  ω     35.00 103.00   1.00    1.00    --   37.04  57.00  60.00   68
  7  ω    139.00 166.00   1.00    1.00    --  111.00  50.00 -30.00   27
  8  ω    133.00 160.00   1.00    1.00    --  111.00  50.00   0.00   27
  9  ω    116.00 149.00   1.00    1.00    --  111.00  64.00 -60.00   33
 10  ω    124.00 151.00   1.00    1.00    --  111.00 111.00 -30.00   27
 11  ω    111.00 141.00   1.00    1.00    --  111.00  50.00 -60.00   30
 12  ω    106.00 133.00   1.00    1.00    --  111.00  38.00 -60.00   27
 13  ω     95.00 127.00   1.00    1.00    --  111.00  50.00   0.00   32
 14  ω    105.00 177.00   1.00    1.00    --  111.00  38.00  30.00   72
 15  ω    121.00 162.00   1.00    1.00    --  111.00  89.00 100.00   41
 16  ω     95.00 153.00   1.00    1.00    --  111.00  50.00  90.00   58
 17  ω    111.00 136.00   1.00    1.00    --  111.00 -25.00   0.00   25
 18  ω     95.00 126.00   1.00    1.00    --  111.00 -64.00 -30.00   31
 19  ω    106.00 133.00   1.00    1.00    --  111.00 -77.00  30.00   27
 20  ω    104.00 146.00   1.00    1.00    --  111.00 -92.00  60.00   42
 21  ω     92.00 119.00   1.00    1.00    --  111.00 -25.00  30.00   27
 22  ω     83.00 127.00   1.00    1.00    --  111.00 -50.00  60.00   44
 23  ω     80.00 113.00   1.00    1.00    --  111.00-111.00 120.00   33
 24  ω     75.00 115.00   1.00    1.00    --  111.00-111.00  60.00   40
 25  ω     81.00 106.00   1.00    1.00    --  111.00-111.00  30.00   25
 26  ω     74.00 114.00   1.00    1.00    --  111.00-111.00   0.00   40
 27  ω     90.00 116.00   1.00    1.00    --  111.00-111.00 -60.00   26
 28  ω     90.00 123.00   1.00    1.00    --  111.00 -92.00 -90.00   33
 29  ω     90.00 127.00   1.00    1.00    --  111.00 -56.00 -61.06   37
 30  ω     86.00 113.00   1.00    1.00    --  111.00-111.00 -90.00   27
 31  ω     84.00 110.00   1.00    1.00    --  111.00-111.00-120.00   26
 32  ω    103.00 136.00   1.00    1.00    --  111.00 -77.00-150.00   33
 33  ω     89.00 116.00   1.00    1.00    --  111.00-111.00-180.00   27
 34  ω     90.00 117.00   1.00    1.00    --  111.00 -64.00-150.00   27
 35  ω     94.00 130.00   1.00    1.00    --  111.00 -38.00-180.00   36
 36  ω     80.00 123.00   1.00    1.00    --  111.00 -12.00 -60.00   43
 37  ω     94.00 131.00   1.00    1.00    --  111.00  50.00-150.00   37
 38  ω     92.00 149.00   1.00    1.00    --  111.00  64.00-150.00   57
 39  ω    138.00 165.00   1.00    1.00    --  111.00 111.00-150.00   27
 40  ω    111.00 144.00   1.00    1.00    --  111.00 178.00 -60.00   33
 41  ω     92.00 123.00   1.00    1.00    --  111.00  77.00  90.00   31
 42  ω     88.00 155.00   1.00    1.00    --  111.00  25.00  90.00   67
 43  ω     90.00 118.00   1.00    1.00    --  111.00 -60.00 178.82   28
 44  ω     81.00 127.00   1.00    1.00    --  111.00 -32.00 129.67   46
 45  ω     79.00 104.00   1.00    1.00    --  111.00 -77.00 120.00   25
 46  ω     69.00 144.00   1.00    1.00    --  111.00 -12.00 150.00   75
 47  ω     76.00 110.00   1.00    1.00    --  111.00  12.00  30.00   34
 48  ω     53.00 127.00   1.00    1.00    --  111.00 -38.00  30.00   74
 49  ω     75.00 102.00   1.00    1.00    --  111.00 -74.00 -33.59   27
 50  ω     59.00 121.00   1.00    1.00    --  111.00 -50.00-120.00   62
 51  ω     49.00  78.00   1.00    1.00    --  111.00 -77.00   0.00   29
 52  ω     53.00  78.00   1.00    1.00    --  111.00 -92.00  60.00   25
 53  ω     47.00 108.00   1.00    1.00    --  111.00 -64.00  60.00   61
 54  ω     42.00  71.00   1.00    1.00    --  111.00-111.00 -60.00   29
 55  ω     42.00  69.00   1.00    1.00    --  111.00 -92.00 -90.00   27
 56  ω     44.00  80.00   1.00    1.00    --  111.00 -56.00 -61.06   36
 57  ω     44.00 129.00   1.00    1.00    --  111.00 -38.00 -60.00   85
 58  ω     65.00  90.00   1.00    1.00    --   37.04-125.00   0.00   25
 59  ω     48.00  81.00   1.00    1.00    --   37.04-125.00  90.00   33
 60  ω     34.00  61.00   1.00    1.00    --   37.04-125.00   0.00   27
 61  ω     45.00  74.00   1.00    1.00    --   37.04 -99.00 -30.00   29
 62  ω     27.00  59.00   1.00    1.00    --   37.04 -89.00 -15.00   32
 63  ω     25.00  63.00   1.00    1.00    --   37.04-125.00 -60.00   38
 64  ω     50.00  75.00   1.00    1.00    --   37.04 -99.00-120.00   25
 65  ω     23.00  80.00   1.00    1.00    --   37.04-125.00-120.00   57
 66  ω     20.00  45.00   1.00    1.00    --   37.04 -57.00-180.00   25
 67  ω    -28.00  -1.00   1.00    1.00    --   37.04 -57.00-180.00   27
 68  ω    -29.00  49.00   1.00    1.00    --   37.04 -57.00-150.00   78
 69  ω     19.00  58.00   1.00    1.00    --   37.04 -19.00 -30.00   39
 70  ω     11.00  65.00   1.00    1.00    --   37.04 -19.00  60.00   54
 71  ω     19.00  75.00   1.00    1.00    --   37.04 -99.00 150.00   56
 72  ω     10.00  37.00   1.00    1.00    --   37.04 -57.00  60.00   27
 73  ω      8.00  50.00   1.00    1.00    --   37.04 -57.00 120.00   42
 74  ω     -3.00  22.00   1.00    1.00    --   37.04 -89.00 -15.00   25
 75  ω    -30.00  14.00   1.00    1.00    --   37.04 -57.00  90.00   44
 76  ω    -31.00  -4.00   1.00    1.00    --   37.04 -19.00 -30.00   27
 77  ω     20.00  62.00   1.00    1.00    --   37.04  57.00   0.00   42
 78  ω     50.00 101.00   1.00    1.00    --  111.00 -12.00  60.00   51
 79  ω     47.00  73.00   1.00    1.00    --  111.00 -77.00 150.00   26
 80  ω     42.00 100.00   1.00    1.00    --  111.00 -25.00  90.00   58
 81  ω     44.00  76.00   1.00    1.00    --  111.00 -77.00-150.00   32
 82  ω     56.00  86.00   1.00    1.00    --  111.00 -50.00-180.00   30
 83  ω     45.00 133.00   1.00    1.00    --  111.00 -77.00-180.00   88
 84  ω     58.00  85.00   1.00    1.00    --  111.00 178.00  90.00   27
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, EosS2'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0203736000
_diffrn_orient_matrix_UB_12      0.0799970000
_diffrn_orient_matrix_UB_13      0.0507828000
_diffrn_orient_matrix_UB_21      0.0752150000
_diffrn_orient_matrix_UB_22      -0.0743422000
_diffrn_orient_matrix_UB_23      0.0456858000
_diffrn_orient_matrix_UB_31      0.1001192000
_diffrn_orient_matrix_UB_32      0.0359796000
_diffrn_orient_matrix_UB_33      -0.0319455000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                12988
_reflns_number_total             13963
_reflns_odcompleteness_completeness 98.79
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     74.33
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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 1.171.38.46 (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_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    ?
_refine_diff_density_max         0.414
_refine_diff_density_min         -1.358
_refine_diff_density_rms         0.074
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     757
_refine_ls_number_reflns         13963
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0345
_refine_ls_R_factor_gt           0.0319
_refine_ls_restrained_S_all      1.026
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0479P)²+4.0595P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0875
_refine_ls_wR_factor_ref         0.0901
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C201(H20A,H20B)
2.b Aromatic/amide H refined with riding coordinates:
 C12(H12), C13(H13), C14(H14), C15(H15), C16(H16), C22(H22), C23(H23),
 C24(H24), C25(H25), C26(H26), C32(H32), C33(H33), C34(H34), C35(H35), C36(H36),
  C42(H42), C43(H43), C44(H44), C45(H45), C46(H46), C52(H52), C53(H53),
 C54(H54), C55(H55), C56(H56), C62(H62), C63(H63), C64(H64), C65(H65), C66(H66),
  C72(H72), C73(H73), C74(H74), C75(H75), C76(H76), C82(H82), C83(H83),
 C84(H84), C85(H85), C86(H86), C92(H92), C93(H93), C94(H94), C95(H95), C96(H96),
  C102(H102), C103(H103), C104(H104), C105(H105), C106(H106), C112(H112),
 C113(H113), C114(H114), C115(H115), C116(H116), C122(H122), C123(H123),
 C124(H124), C125(H125), C126(H126)
;
_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
Rh1 Rh 0.70741(2) 0.51558(2) 0.74289(2) 0.02349(5) Uani 1 1 d . . . . .
Rh2 Rh 0.60700(2) 0.77744(2) 0.71669(2) 0.02425(5) Uani 1 1 d . . . . .
Cl1 Cl 0.75480(6) 0.33388(5) 0.75212(3) 0.03733(14) Uani 1 1 d . . . . .
Cl2 Cl 0.54074(6) 0.95076(5) 0.68001(4) 0.04198(16) Uani 1 1 d . . . . .
P1 P 0.62527(5) 0.50785(5) 0.85105(3) 0.02556(12) Uani 1 1 d . . . . .
P2 P 0.81780(5) 0.50416(5) 0.64236(3) 0.02432(12) Uani 1 1 d . . . . .
P3 P 0.74526(5) 0.83016(4) 0.76510(3) 0.02399(12) Uani 1 1 d . . . . .
P4 P 0.44938(5) 0.75248(5) 0.67383(3) 0.02857(13) Uani 1 1 d . . . . .
C1 C 0.66058(18) 0.64735(19) 0.73400(10) 0.0248(5) Uani 1 1 d . . . . .
C11 C 0.7128(2) 0.41555(19) 0.90383(11) 0.0286(5) Uani 1 1 d . . . . .
C12 C 0.8266(2) 0.3975(2) 0.89145(14) 0.0398(6) Uani 1 1 d . . . . .
H12 H 0.8561 0.4315 0.8563 0.048 Uiso 1 1 calc R . . . .
C13 C 0.8967(3) 0.3298(3) 0.93069(16) 0.0466(7) Uani 1 1 d . . . . .
H13 H 0.9726 0.3185 0.9219 0.056 Uiso 1 1 calc R . . . .
C14 C 0.8532(3) 0.2788(2) 0.98330(15) 0.0441(7) Uani 1 1 d . . . . .
H14 H 0.8998 0.2335 1.0101 0.053 Uiso 1 1 calc R . . . .
C15 C 0.7407(3) 0.2954(2) 0.99574(14) 0.0401(6) Uani 1 1 d . . . . .
H15 H 0.7118 0.2607 1.0307 0.048 Uiso 1 1 calc R . . . .
C16 C 0.6697(2) 0.3637(2) 0.95648(12) 0.0320(5) Uani 1 1 d . . . . .
H16 H 0.5939 0.3747 0.9654 0.038 Uiso 1 1 calc R . . . .
C21 C 0.4955(2) 0.4681(2) 0.85834(11) 0.0301(5) Uani 1 1 d . . . . .
C22 C 0.4970(3) 0.3755(2) 0.83573(14) 0.0418(7) Uani 1 1 d . . . . .
H22 H 0.5631 0.3349 0.8189 0.050 Uiso 1 1 calc R . . . .
C23 C 0.4008(3) 0.3435(3) 0.83801(15) 0.0508(8) Uani 1 1 d . . . . .
H23 H 0.4029 0.2812 0.8234 0.061 Uiso 1 1 calc R . . . .
C24 C 0.3016(3) 0.4042(3) 0.86208(15) 0.0508(8) Uani 1 1 d . . . . .
H24 H 0.2369 0.3836 0.8625 0.061 Uiso 1 1 calc R . . . .
C25 C 0.2993(3) 0.4947(3) 0.88526(16) 0.0489(8) Uani 1 1 d . . . . .
H25 H 0.2330 0.5349 0.9021 0.059 Uiso 1 1 calc R . . . .
C26 C 0.3955(2) 0.5266(2) 0.88374(14) 0.0392(6) Uani 1 1 d . . . . .
H26 H 0.3930 0.5879 0.8999 0.047 Uiso 1 1 calc R . . . .
C31 C 0.5905(2) 0.62106(19) 0.89581(11) 0.0282(5) Uani 1 1 d . . . . .
C32 C 0.6397(2) 0.6282(2) 0.95267(12) 0.0348(6) Uani 1 1 d . . . . .
H32 H 0.6918 0.5738 0.9689 0.042 Uiso 1 1 calc R . . . .
C33 C 0.6107(3) 0.7170(2) 0.98492(14) 0.0436(7) Uani 1 1 d . . . . .
H33 H 0.6444 0.7217 1.0224 0.052 Uiso 1 1 calc R . . . .
C34 C 0.5328(3) 0.7979(2) 0.96191(14) 0.0441(7) Uani 1 1 d . . . . .
H34 H 0.5134 0.8566 0.9840 0.053 Uiso 1 1 calc R . . . .
C35 C 0.4833(3) 0.7914(2) 0.90574(14) 0.0397(6) Uani 1 1 d . . . . .
H35 H 0.4297 0.8454 0.8905 0.048 Uiso 1 1 calc R . . . .
C36 C 0.5135(2) 0.7048(2) 0.87225(13) 0.0340(6) Uani 1 1 d . . . . .
H36 H 0.4823 0.7022 0.8335 0.041 Uiso 1 1 calc R . . . .
C41 C 0.7959(2) 0.60410(19) 0.57792(11) 0.0264(5) Uani 1 1 d . . . . .
C42 C 0.7837(2) 0.5863(2) 0.51329(12) 0.0325(5) Uani 1 1 d . . . . .
H42 H 0.7841 0.5225 0.5023 0.039 Uiso 1 1 calc R . . . .
C43 C 0.7710(2) 0.6645(2) 0.46538(13) 0.0362(6) Uani 1 1 d . . . . .
H43 H 0.7629 0.6523 0.4226 0.043 Uiso 1 1 calc R . . . .
C44 C 0.7703(2) 0.7601(2) 0.48080(13) 0.0340(6) Uani 1 1 d . . . . .
H44 H 0.7616 0.8118 0.4486 0.041 Uiso 1 1 calc R . . . .
C45 C 0.7828(2) 0.7778(2) 0.54479(13) 0.0320(5) Uani 1 1 d . . . . .
H45 H 0.7833 0.8416 0.5555 0.038 Uiso 1 1 calc R . . . .
C46 C 0.7945(2) 0.7007(2) 0.59274(12) 0.0287(5) Uani 1 1 d . . . . .
H46 H 0.8014 0.7136 0.6356 0.034 Uiso 1 1 calc R . . . .
C51 C 0.9603(2) 0.4910(2) 0.66088(12) 0.0294(5) Uani 1 1 d . . . . .
C52 C 1.0020(2) 0.4175(2) 0.70853(14) 0.0386(6) Uani 1 1 d . . . . .
H52 H 0.9588 0.3760 0.7278 0.046 Uiso 1 1 calc R . . . .
C53 C 1.1072(3) 0.4060(3) 0.72721(15) 0.0481(8) Uani 1 1 d . . . . .
H53 H 1.1350 0.3561 0.7584 0.058 Uiso 1 1 calc R . . . .
C54 C 1.1711(2) 0.4684(3) 0.69981(16) 0.0502(8) Uani 1 1 d . . . . .
H54 H 1.2410 0.4618 0.7133 0.060 Uiso 1 1 calc R . . . .
C55 C 1.1312(3) 0.5406(3) 0.65236(17) 0.0474(8) Uani 1 1 d . . . . .
H55 H 1.1748 0.5821 0.6336 0.057 Uiso 1 1 calc R . . . .
C56 C 1.0265(2) 0.5520(2) 0.63214(14) 0.0363(6) Uani 1 1 d . . . . .
H56 H 1.0007 0.6001 0.5995 0.044 Uiso 1 1 calc R . . . .
C61 C 0.8263(2) 0.39461(18) 0.59652(11) 0.0261(5) Uani 1 1 d . . . . .
C62 C 0.7323(2) 0.35996(19) 0.59555(12) 0.0290(5) Uani 1 1 d . . . . .
H62 H 0.6685 0.3893 0.6208 0.035 Uiso 1 1 calc R . . . .
C63 C 0.7329(2) 0.2821(2) 0.55733(13) 0.0326(5) Uani 1 1 d . . . . .
H63 H 0.6697 0.2592 0.5571 0.039 Uiso 1 1 calc R . . . .
C64 C 0.8274(2) 0.2382(2) 0.51952(13) 0.0339(6) Uani 1 1 d . . . . .
H64 H 0.8277 0.1861 0.4936 0.041 Uiso 1 1 calc R . . . .
C65 C 0.9217(3) 0.2721(2) 0.52040(14) 0.0399(6) Uani 1 1 d . . . . .
H65 H 0.9853 0.2428 0.4950 0.048 Uiso 1 1 calc R . . . .
C66 C 0.9216(2) 0.3497(2) 0.55908(14) 0.0363(6) Uani 1 1 d . . . . .
H66 H 0.9853 0.3716 0.5600 0.044 Uiso 1 1 calc R . . . .
C71 C 0.6993(2) 0.94552(19) 0.80874(12) 0.0308(5) Uani 1 1 d . . . . .
C72 C 0.5906(3) 0.9789(2) 0.83339(14) 0.0410(6) Uani 1 1 d . . . . .
H72 H 0.5392 0.9441 0.8261 0.049 Uiso 1 1 calc R . . . .
C73 C 0.5578(3) 1.0643(3) 0.86905(17) 0.0558(9) Uani 1 1 d . . . . .
H73 H 0.4850 1.0854 0.8861 0.067 Uiso 1 1 calc R . . . .
C74 C 0.6326(4) 1.1176(2) 0.87919(17) 0.0587(10) Uani 1 1 d . . . . .
H74 H 0.6102 1.1747 0.9029 0.070 Uiso 1 1 calc R . . . .
C75 C 0.7412(4) 1.0861(3) 0.85404(16) 0.0546(9) Uani 1 1 d . . . . .
H75 H 0.7915 1.1226 0.8603 0.065 Uiso 1 1 calc R . . . .
C76 C 0.7748(3) 0.9998(2) 0.81945(14) 0.0415(7) Uani 1 1 d . . . . .
H76 H 0.8480 0.9781 0.8033 0.050 Uiso 1 1 calc R . . . .
C81 C 0.8289(2) 0.74510(19) 0.82369(12) 0.0270(5) Uani 1 1 d . . . . .
C82 C 0.8906(2) 0.6510(2) 0.80546(12) 0.0293(5) Uani 1 1 d . . . . .
H82 H 0.8861 0.6304 0.7641 0.035 Uiso 1 1 calc R . . . .
C83 C 0.9584(2) 0.5880(2) 0.84855(14) 0.0353(6) Uani 1 1 d . . . . .
H83 H 1.0014 0.5267 0.8352 0.042 Uiso 1 1 calc R . . . .
C84 C 0.9623(2) 0.6161(2) 0.91145(14) 0.0406(6) Uani 1 1 d . . . . .
H84 H 1.0077 0.5739 0.9403 0.049 Uiso 1 1 calc R . . . .
C85 C 0.8987(3) 0.7065(3) 0.93073(14) 0.0441(7) Uani 1 1 d . . . . .
H85 H 0.8997 0.7247 0.9732 0.053 Uiso 1 1 calc R . . . .
C86 C 0.8326(2) 0.7716(2) 0.88746(13) 0.0347(6) Uani 1 1 d . . . . .
H86 H 0.7906 0.8331 0.9011 0.042 Uiso 1 1 calc R . . . .
C91 C 0.8468(2) 0.86537(19) 0.70291(11) 0.0262(5) Uani 1 1 d . . . . .
C92 C 0.8117(2) 0.9534(2) 0.66435(13) 0.0320(5) Uani 1 1 d . . . . .
H92 H 0.7399 0.9920 0.6712 0.038 Uiso 1 1 calc R . . . .
C93 C 0.8835(2) 0.9835(2) 0.61575(13) 0.0366(6) Uani 1 1 d . . . . .
H93 H 0.8596 1.0424 0.5906 0.044 Uiso 1 1 calc R . . . .
C94 C 0.9896(2) 0.9266(2) 0.60479(14) 0.0384(6) Uani 1 1 d . . . . .
H94 H 1.0371 0.9465 0.5719 0.046 Uiso 1 1 calc R . . . .
C95 C 1.0255(2) 0.8397(2) 0.64276(15) 0.0402(6) Uani 1 1 d . . . . .
H95 H 1.0975 0.8016 0.6356 0.048 Uiso 1 1 calc R . . . .
C96 C 0.9547(2) 0.8091(2) 0.69166(13) 0.0335(5) Uani 1 1 d . . . . .
H96 H 0.9795 0.7506 0.7170 0.040 Uiso 1 1 calc R . . . .
C101 C 0.4435(2) 0.6320(2) 0.64679(12) 0.0308(5) Uani 1 1 d . . . . .
C102 C 0.4671(2) 0.5473(2) 0.68956(13) 0.0331(6) Uani 1 1 d . . . . .
H102 H 0.4863 0.5530 0.7313 0.040 Uiso 1 1 calc R . . . .
C103 C 0.4623(2) 0.4549(2) 0.67051(14) 0.0366(6) Uani 1 1 d . . . . .
H103 H 0.4777 0.3993 0.6996 0.044 Uiso 1 1 calc R . . . .
C104 C 0.4345(2) 0.4452(2) 0.60793(14) 0.0399(6) Uani 1 1 d . . . . .
H104 H 0.4325 0.3831 0.5948 0.048 Uiso 1 1 calc R . . . .
C105 C 0.4100(2) 0.5284(3) 0.56559(14) 0.0423(7) Uani 1 1 d . . . . .
H105 H 0.3900 0.5224 0.5241 0.051 Uiso 1 1 calc R . . . .
C106 C 0.4147(2) 0.6209(2) 0.58430(13) 0.0381(6) Uani 1 1 d . . . . .
H106 H 0.3986 0.6762 0.5550 0.046 Uiso 1 1 calc R . . . .
C111 C 0.4110(2) 0.8350(2) 0.60195(13) 0.0337(6) Uani 1 1 d . . . . .
C112 C 0.3087(2) 0.9011(2) 0.59679(13) 0.0338(6) Uani 1 1 d . . . . .
H112 H 0.2550 0.9063 0.6317 0.041 Uiso 1 1 calc R . . . .
C113 C 0.2865(2) 0.9598(2) 0.53895(14) 0.0383(6) Uani 1 1 d . . . . .
H113 H 0.2182 1.0045 0.5357 0.046 Uiso 1 1 calc R . . . .
C114 C 0.3655(3) 0.9519(2) 0.48645(14) 0.0422(7) Uani 1 1 d . . . . .
H114 H 0.3500 0.9908 0.4480 0.051 Uiso 1 1 calc R . . . .
C115 C 0.4676(3) 0.8860(3) 0.49138(14) 0.0452(7) Uani 1 1 d . . . . .
H115 H 0.5207 0.8806 0.4562 0.054 Uiso 1 1 calc R . . . .
C116 C 0.4908(2) 0.8278(3) 0.54888(14) 0.0421(7) Uani 1 1 d . . . . .
H116 H 0.5596 0.7839 0.5521 0.051 Uiso 1 1 calc R . . . .
C121 C 0.3298(2) 0.7836(2) 0.73406(12) 0.0317(5) Uani 1 1 d . . . . .
C122 C 0.2606(2) 0.7204(2) 0.75219(14) 0.0377(6) Uani 1 1 d . . . . .
H122 H 0.2729 0.6597 0.7328 0.045 Uiso 1 1 calc R . . . .
C123 C 0.1727(3) 0.7483(3) 0.79951(16) 0.0471(7) Uani 1 1 d . . . . .
H123 H 0.1280 0.7050 0.8124 0.057 Uiso 1 1 calc R . . . .
C124 C 0.1513(3) 0.8387(3) 0.82724(15) 0.0482(8) Uani 1 1 d . . . . .
H124 H 0.0917 0.8571 0.8581 0.058 Uiso 1 1 calc R . . . .
C125 C 0.2190(3) 0.9022(3) 0.80887(18) 0.0550(8) Uani 1 1 d . . . . .
H125 H 0.2045 0.9638 0.8271 0.066 Uiso 1 1 calc R . . . .
C126 C 0.3082(3) 0.8742(3) 0.76341(16) 0.0461(7) Uani 1 1 d . . . . .
H126 H 0.3544 0.9167 0.7523 0.055 Uiso 1 1 calc R . . . .
Cl21 Cl 1.0800(2) 0.13476(16) 0.66033(10) 0.1452(8) Uani 1 1 d . . . . .
Cl22 Cl 1.00605(13) 0.14949(13) 0.79477(8) 0.1064(5) Uani 1 1 d . . . . .
C201 C 0.9823(4) 0.1248(4) 0.7209(2) 0.0814(14) Uani 1 1 d . . . . .
H20A H 0.9133 0.1697 0.7095 0.098 Uiso 1 1 calc R . . . .
H20B H 0.9728 0.0574 0.7229 0.098 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
Rh1 Cl1 2.4351(6) . ?
Rh1 P1 2.3637(6) . ?
Rh1 P2 2.3656(6) . ?
Rh1 C1 1.773(3) . ?
Rh2 Cl2 2.4223(7) . ?
Rh2 P3 2.3814(6) . ?
Rh2 P4 2.3641(6) . ?
Rh2 C1 1.780(3) . ?
P1 C11 1.827(3) . ?
P1 C21 1.842(3) . ?
P1 C31 1.818(3) . ?
P2 C41 1.829(3) . ?
P2 C51 1.834(3) . ?
P2 C61 1.826(2) . ?
P3 C71 1.832(3) . ?
P3 C81 1.831(3) . ?
P3 C91 1.844(2) . ?
P4 C101 1.824(3) . ?
P4 C111 1.823(3) . ?
P4 C121 1.836(3) . ?
C11 C12 1.393(4) . ?
C11 C16 1.393(3) . ?
C12 H12 0.9300 . ?
C12 C13 1.384(4) . ?
C13 H13 0.9300 . ?
C13 C14 1.389(4) . ?
C14 H14 0.9300 . ?
C14 C15 1.378(4) . ?
C15 H15 0.9300 . ?
C15 C16 1.394(4) . ?
C16 H16 0.9300 . ?
C21 C22 1.395(4) . ?
C21 C26 1.391(4) . ?
C22 H22 0.9300 . ?
C22 C23 1.388(4) . ?
C23 H23 0.9300 . ?
C23 C24 1.386(5) . ?
C24 H24 0.9300 . ?
C24 C25 1.370(5) . ?
C25 H25 0.9300 . ?
C25 C26 1.389(4) . ?
C26 H26 0.9300 . ?
C31 C32 1.399(4) . ?
C31 C36 1.400(4) . ?
C32 H32 0.9300 . ?
C32 C33 1.394(4) . ?
C33 H33 0.9300 . ?
C33 C34 1.378(5) . ?
C34 H34 0.9300 . ?
C34 C35 1.386(5) . ?
C35 H35 0.9300 . ?
C35 C36 1.381(4) . ?
C36 H36 0.9300 . ?
C41 C42 1.401(3) . ?
C41 C46 1.393(4) . ?
C42 H42 0.9300 . ?
C42 C43 1.395(4) . ?
C43 H43 0.9300 . ?
C43 C44 1.386(4) . ?
C44 H44 0.9300 . ?
C44 C45 1.389(4) . ?
C45 H45 0.9300 . ?
C45 C46 1.386(4) . ?
C46 H46 0.9300 . ?
C51 C52 1.396(4) . ?
C51 C56 1.393(4) . ?
C52 H52 0.9300 . ?
C52 C53 1.385(4) . ?
C53 H53 0.9300 . ?
C53 C54 1.378(5) . ?
C54 H54 0.9300 . ?
C54 C55 1.376(5) . ?
C55 H55 0.9300 . ?
C55 C56 1.390(4) . ?
C56 H56 0.9300 . ?
C61 C62 1.389(3) . ?
C61 C66 1.390(4) . ?
C62 H62 0.9300 . ?
C62 C63 1.384(4) . ?
C63 H63 0.9300 . ?
C63 C64 1.383(4) . ?
C64 H64 0.9300 . ?
C64 C65 1.387(4) . ?
C65 H65 0.9300 . ?
C65 C66 1.387(4) . ?
C66 H66 0.9300 . ?
C71 C72 1.387(4) . ?
C71 C76 1.397(4) . ?
C72 H72 0.9300 . ?
C72 C73 1.393(4) . ?
C73 H73 0.9300 . ?
C73 C74 1.376(6) . ?
C74 H74 0.9300 . ?
C74 C75 1.386(6) . ?
C75 H75 0.9300 . ?
C75 C76 1.391(4) . ?
C76 H76 0.9300 . ?
C81 C82 1.397(4) . ?
C81 C86 1.398(3) . ?
C82 H82 0.9300 . ?
C82 C83 1.389(4) . ?
C83 H83 0.9300 . ?
C83 C84 1.389(4) . ?
C84 H84 0.9300 . ?
C84 C85 1.370(5) . ?
C85 H85 0.9300 . ?
C85 C86 1.393(4) . ?
C86 H86 0.9300 . ?
C91 C92 1.399(4) . ?
C91 C96 1.392(4) . ?
C92 H92 0.9300 . ?
C92 C93 1.392(4) . ?
C93 H93 0.9300 . ?
C93 C94 1.376(4) . ?
C94 H94 0.9300 . ?
C94 C95 1.382(4) . ?
C95 H95 0.9300 . ?
C95 C96 1.391(4) . ?
C96 H96 0.9300 . ?
C101 C102 1.398(4) . ?
C101 C106 1.400(4) . ?
C102 H102 0.9300 . ?
C102 C103 1.388(4) . ?
C103 H103 0.9300 . ?
C103 C104 1.392(4) . ?
C104 H104 0.9300 . ?
C104 C105 1.378(5) . ?
C105 H105 0.9300 . ?
C105 C106 1.385(5) . ?
C106 H106 0.9300 . ?
C111 C112 1.388(4) . ?
C111 C116 1.399(4) . ?
C112 H112 0.9300 . ?
C112 C113 1.398(4) . ?
C113 H113 0.9300 . ?
C113 C114 1.384(4) . ?
C114 H114 0.9300 . ?
C114 C115 1.384(5) . ?
C115 H115 0.9300 . ?
C115 C116 1.391(4) . ?
C116 H116 0.9300 . ?
C121 C122 1.393(4) . ?
C121 C126 1.390(4) . ?
C122 H122 0.9300 . ?
C122 C123 1.396(4) . ?
C123 H123 0.9300 . ?
C123 C124 1.371(5) . ?
C124 H124 0.9300 . ?
C124 C125 1.382(5) . ?
C125 H125 0.9300 . ?
C125 C126 1.383(5) . ?
C126 H126 0.9300 . ?
Cl21 C201 1.684(5) . ?
Cl22 C201 1.655(5) . ?
C201 H20A 0.9700 . ?
C201 H20B 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
P1 Rh1 Cl1 86.12(2) . . ?
P1 Rh1 P2 169.75(2) . . ?
P2 Rh1 Cl1 87.66(2) . . ?
C1 Rh1 Cl1 174.57(7) . . ?
C1 Rh1 P1 93.36(7) . . ?
C1 Rh1 P2 93.59(7) . . ?
P3 Rh2 Cl2 86.09(2) . . ?
P4 Rh2 Cl2 85.72(2) . . ?
P4 Rh2 P3 169.91(2) . . ?
C1 Rh2 Cl2 173.39(7) . . ?
C1 Rh2 P3 96.16(7) . . ?
C1 Rh2 P4 92.62(7) . . ?
C11 P1 Rh1 111.98(8) . . ?
C11 P1 C21 103.41(12) . . ?
C21 P1 Rh1 114.34(8) . . ?
C31 P1 Rh1 117.84(8) . . ?
C31 P1 C11 104.24(12) . . ?
C31 P1 C21 103.52(12) . . ?
C41 P2 Rh1 122.12(8) . . ?
C41 P2 C51 103.72(12) . . ?
C51 P2 Rh1 107.54(8) . . ?
C61 P2 Rh1 116.15(8) . . ?
C61 P2 C41 101.68(11) . . ?
C61 P2 C51 103.59(12) . . ?
C71 P3 Rh2 116.32(9) . . ?
C71 P3 C91 100.16(11) . . ?
C81 P3 Rh2 119.37(8) . . ?
C81 P3 C71 102.43(12) . . ?
C81 P3 C91 104.35(11) . . ?
C91 P3 Rh2 111.84(8) . . ?
C101 P4 Rh2 122.47(9) . . ?
C101 P4 C121 103.40(12) . . ?
C111 P4 Rh2 112.20(9) . . ?
C111 P4 C101 101.97(13) . . ?
C111 P4 C121 105.13(12) . . ?
C121 P4 Rh2 110.04(9) . . ?
Rh1 C1 Rh2 173.36(14) . . ?
C12 C11 P1 118.69(19) . . ?
C12 C11 C16 119.0(2) . . ?
C16 C11 P1 122.3(2) . . ?
C11 C12 H12 119.5 . . ?
C13 C12 C11 121.1(3) . . ?
C13 C12 H12 119.5 . . ?
C12 C13 H13 120.2 . . ?
C12 C13 C14 119.7(3) . . ?
C14 C13 H13 120.2 . . ?
C13 C14 H14 120.1 . . ?
C15 C14 C13 119.8(3) . . ?
C15 C14 H14 120.1 . . ?
C14 C15 H15 119.6 . . ?
C14 C15 C16 120.8(3) . . ?
C16 C15 H15 119.6 . . ?
C11 C16 C15 119.7(3) . . ?
C11 C16 H16 120.1 . . ?
C15 C16 H16 120.1 . . ?
C22 C21 P1 118.4(2) . . ?
C26 C21 P1 123.4(2) . . ?
C26 C21 C22 118.2(3) . . ?
C21 C22 H22 119.6 . . ?
C23 C22 C21 120.7(3) . . ?
C23 C22 H22 119.6 . . ?
C22 C23 H23 120.0 . . ?
C24 C23 C22 120.0(3) . . ?
C24 C23 H23 120.0 . . ?
C23 C24 H24 120.1 . . ?
C25 C24 C23 119.8(3) . . ?
C25 C24 H24 120.1 . . ?
C24 C25 H25 119.8 . . ?
C24 C25 C26 120.3(3) . . ?
C26 C25 H25 119.8 . . ?
C21 C26 H26 119.6 . . ?
C25 C26 C21 120.9(3) . . ?
C25 C26 H26 119.6 . . ?
C32 C31 P1 122.2(2) . . ?
C32 C31 C36 118.5(2) . . ?
C36 C31 P1 119.3(2) . . ?
C31 C32 H32 120.0 . . ?
C33 C32 C31 120.0(3) . . ?
C33 C32 H32 120.0 . . ?
C32 C33 H33 119.6 . . ?
C34 C33 C32 120.7(3) . . ?
C34 C33 H33 119.6 . . ?
C33 C34 H34 120.1 . . ?
C33 C34 C35 119.7(3) . . ?
C35 C34 H34 120.1 . . ?
C34 C35 H35 119.9 . . ?
C36 C35 C34 120.2(3) . . ?
C36 C35 H35 119.9 . . ?
C31 C36 H36 119.6 . . ?
C35 C36 C31 120.8(3) . . ?
C35 C36 H36 119.6 . . ?
C42 C41 P2 122.1(2) . . ?
C46 C41 P2 119.30(18) . . ?
C46 C41 C42 118.6(2) . . ?
C41 C42 H42 120.0 . . ?
C43 C42 C41 120.0(2) . . ?
C43 C42 H42 120.0 . . ?
C42 C43 H43 119.6 . . ?
C44 C43 C42 120.8(2) . . ?
C44 C43 H43 119.6 . . ?
C43 C44 H44 120.3 . . ?
C43 C44 C45 119.4(2) . . ?
C45 C44 H44 120.3 . . ?
C44 C45 H45 120.0 . . ?
C46 C45 C44 120.1(2) . . ?
C46 C45 H45 120.0 . . ?
C41 C46 H46 119.4 . . ?
C45 C46 C41 121.2(2) . . ?
C45 C46 H46 119.4 . . ?
C52 C51 P2 117.0(2) . . ?
C56 C51 P2 123.9(2) . . ?
C56 C51 C52 119.0(3) . . ?
C51 C52 H52 119.8 . . ?
C53 C52 C51 120.3(3) . . ?
C53 C52 H52 119.8 . . ?
C52 C53 H53 119.9 . . ?
C54 C53 C52 120.3(3) . . ?
C54 C53 H53 119.9 . . ?
C53 C54 H54 120.1 . . ?
C55 C54 C53 119.8(3) . . ?
C55 C54 H54 120.1 . . ?
C54 C55 H55 119.6 . . ?
C54 C55 C56 120.7(3) . . ?
C56 C55 H55 119.6 . . ?
C51 C56 H56 120.1 . . ?
C55 C56 C51 119.8(3) . . ?
C55 C56 H56 120.1 . . ?
C62 C61 P2 118.68(19) . . ?
C62 C61 C66 119.3(2) . . ?
C66 C61 P2 121.85(19) . . ?
C61 C62 H62 119.8 . . ?
C63 C62 C61 120.5(2) . . ?
C63 C62 H62 119.8 . . ?
C62 C63 H63 119.9 . . ?
C64 C63 C62 120.1(2) . . ?
C64 C63 H63 119.9 . . ?
C63 C64 H64 120.1 . . ?
C63 C64 C65 119.7(2) . . ?
C65 C64 H64 120.1 . . ?
C64 C65 H65 119.9 . . ?
C64 C65 C66 120.2(3) . . ?
C66 C65 H65 119.9 . . ?
C61 C66 H66 120.0 . . ?
C65 C66 C61 120.1(2) . . ?
C65 C66 H66 120.0 . . ?
C72 C71 P3 121.0(2) . . ?
C72 C71 C76 118.9(3) . . ?
C76 C71 P3 120.1(2) . . ?
C71 C72 H72 119.8 . . ?
C71 C72 C73 120.4(3) . . ?
C73 C72 H72 119.8 . . ?
C72 C73 H73 119.8 . . ?
C74 C73 C72 120.4(3) . . ?
C74 C73 H73 119.8 . . ?
C73 C74 H74 120.0 . . ?
C73 C74 C75 120.0(3) . . ?
C75 C74 H74 120.0 . . ?
C74 C75 H75 120.0 . . ?
C74 C75 C76 119.9(3) . . ?
C76 C75 H75 120.0 . . ?
C71 C76 H76 119.8 . . ?
C75 C76 C71 120.5(3) . . ?
C75 C76 H76 119.8 . . ?
C82 C81 P3 120.29(19) . . ?
C82 C81 C86 118.2(2) . . ?
C86 C81 P3 121.5(2) . . ?
C81 C82 H82 119.7 . . ?
C83 C82 C81 120.6(2) . . ?
C83 C82 H82 119.7 . . ?
C82 C83 H83 119.9 . . ?
C82 C83 C84 120.3(3) . . ?
C84 C83 H83 119.9 . . ?
C83 C84 H84 120.2 . . ?
C85 C84 C83 119.5(3) . . ?
C85 C84 H84 120.2 . . ?
C84 C85 H85 119.6 . . ?
C84 C85 C86 120.8(3) . . ?
C86 C85 H85 119.6 . . ?
C81 C86 H86 119.8 . . ?
C85 C86 C81 120.4(3) . . ?
C85 C86 H86 119.8 . . ?
C92 C91 P3 117.41(19) . . ?
C96 C91 P3 123.9(2) . . ?
C96 C91 C92 118.6(2) . . ?
C91 C92 H92 119.8 . . ?
C93 C92 C91 120.5(3) . . ?
C93 C92 H92 119.8 . . ?
C92 C93 H93 119.9 . . ?
C94 C93 C92 120.3(3) . . ?
C94 C93 H93 119.9 . . ?
C93 C94 H94 120.0 . . ?
C93 C94 C95 119.9(3) . . ?
C95 C94 H94 120.0 . . ?
C94 C95 H95 119.8 . . ?
C94 C95 C96 120.4(3) . . ?
C96 C95 H95 119.8 . . ?
C91 C96 H96 119.8 . . ?
C95 C96 C91 120.4(3) . . ?
C95 C96 H96 119.8 . . ?
C102 C101 P4 119.63(19) . . ?
C102 C101 C106 118.1(3) . . ?
C106 C101 P4 122.2(2) . . ?
C101 C102 H102 119.6 . . ?
C103 C102 C101 120.9(2) . . ?
C103 C102 H102 119.6 . . ?
C102 C103 H103 119.9 . . ?
C102 C103 C104 120.1(3) . . ?
C104 C103 H103 119.9 . . ?
C103 C104 H104 120.3 . . ?
C105 C104 C103 119.5(3) . . ?
C105 C104 H104 120.3 . . ?
C104 C105 H105 119.7 . . ?
C104 C105 C106 120.7(3) . . ?
C106 C105 H105 119.7 . . ?
C101 C106 H106 119.6 . . ?
C105 C106 C101 120.7(3) . . ?
C105 C106 H106 119.6 . . ?
C112 C111 P4 124.2(2) . . ?
C112 C111 C116 119.4(2) . . ?
C116 C111 P4 116.4(2) . . ?
C111 C112 H112 120.1 . . ?
C111 C112 C113 119.8(3) . . ?
C113 C112 H112 120.1 . . ?
C112 C113 H113 119.7 . . ?
C114 C113 C112 120.6(3) . . ?
C114 C113 H113 119.7 . . ?
C113 C114 H114 120.1 . . ?
C115 C114 C113 119.8(3) . . ?
C115 C114 H114 120.1 . . ?
C114 C115 H115 119.9 . . ?
C114 C115 C116 120.1(3) . . ?
C116 C115 H115 119.9 . . ?
C111 C116 H116 119.8 . . ?
C115 C116 C111 120.3(3) . . ?
C115 C116 H116 119.8 . . ?
C122 C121 P4 123.1(2) . . ?
C126 C121 P4 118.3(2) . . ?
C126 C121 C122 118.6(3) . . ?
C121 C122 H122 120.1 . . ?
C121 C122 C123 119.8(3) . . ?
C123 C122 H122 120.1 . . ?
C122 C123 H123 119.5 . . ?
C124 C123 C122 121.0(3) . . ?
C124 C123 H123 119.5 . . ?
C123 C124 H124 120.3 . . ?
C123 C124 C125 119.4(3) . . ?
C125 C124 H124 120.3 . . ?
C124 C125 H125 119.9 . . ?
C124 C125 C126 120.2(3) . . ?
C126 C125 H125 119.9 . . ?
C121 C126 H126 119.5 . . ?
C125 C126 C121 121.0(3) . . ?
C125 C126 H126 119.5 . . ?
Cl21 C201 H20A 108.3 . . ?
Cl21 C201 H20B 108.3 . . ?
Cl22 C201 Cl21 116.1(3) . . ?
Cl22 C201 H20A 108.3 . . ?
Cl22 C201 H20B 108.3 . . ?
H20A C201 H20B 107.4 . . ?


_ins_header                      
;
TITL HB_3-1-1_scale in P-1 
REM P-1 (#2 in standard setting)
CELL 1.54184  12.598293  13.874246  20.564976  85.4608  84.2381  75.2847
ZERR    2.00   0.000185   0.000254   0.000394   0.0015   0.0014   0.0014
LATT  1
SFAC C H P Cl Rh
UNIT 146.00 120.00 8.00 4.00 4.00
TREF
HKLF 4
END
;
_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 1.388
_oxdiff_exptl_absorpt_empirical_full_min 0.807
####################################################################### 
# 
# 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_hb_76-1_scale
_database_code_depnum_ccdc_archive 'CCDC 1834293'
_audit_update_record             
;
2018-04-03 deposited with the CCDC.
2018-06-26 downloaded from the CCDC.
;
_audit_creation_date             2017-08-28
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.08.10 svn.r3458 for OlexSys, GUI svn.r5381)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C57 H62 B2 N8 P2 Rh2, C6 H14'
_chemical_formula_sum            'C63 H76 B2 N8 P2 Rh2'
_chemical_formula_weight         1234.69
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'I 1 2/a 1'
_space_group_name_Hall           '-I 2ya'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y, -z'
'x+1/2, y+1/2, z+1/2'
'-x+1, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y, z'
'-x+1/2, -y+1/2, -z+1/2'
'x, -y+1/2, z+1/2'

_cell_length_a                   18.7605(7)
_cell_length_b                   13.5447(6)
_cell_length_c                   23.3266(10)
_cell_angle_alpha                90
_cell_angle_beta                 99.155(4)
_cell_angle_gamma                90
_cell_volume                     5851.9(4)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9445
_cell_measurement_temperature    150.00(10)
_cell_measurement_theta_max      28.4160
_cell_measurement_theta_min      3.4840
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.666
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.85241
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.46 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            red
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.401
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             2560
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
5 0 31 0.1216
-19 -13 10 0.2324
-4 0 -31 0.1116
20 12 2 0.2079
18 -14 -4 0.2131
-17 -14 10 0.2292
14 16 -9 0.1871
-17 14 4 0.1375
5 -9 -29 0.1392
3 7 29 0.0906

_exptl_crystal_size_max          0.484
_exptl_crystal_size_mid          0.357
_exptl_crystal_size_min          0.241
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
5.0001 0.0000 30.9989 -0.9583 -0.2917 -0.0560
-18.9991 -12.9996 9.9990 0.0009 0.0072 -1.0079
-4.0001 -0.0000 -30.9989 0.9515 0.2641 0.0816
19.9992 11.9996 2.0005 -0.3524 -0.1303 0.9267
17.9995 -13.9995 -3.9994 0.1812 -0.9839 -0.0145
-16.9991 -13.9995 9.9991 0.0005 -0.0843 -0.9924
13.9992 15.9995 -8.9992 -0.0363 0.2346 0.9810
-16.9995 13.9995 3.9994 -0.1880 0.9562 0.0400
4.9997 -8.9997 -28.9987 0.9491 -0.3199 -0.0206
3.0001 6.9998 28.9990 -0.9770 0.0262 0.1539

_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0594
_diffrn_reflns_av_unetI/netI     0.0491
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            30447
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.372
_diffrn_reflns_theta_min         3.490
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      150.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.3744
_diffrn_detector_type            Atlas
_diffrn_measured_fraction_theta_full 0.997
_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    -20.00  30.00   1.00    5.00    --  -11.22 -99.00 150.00   50
  2  ω    -39.00  62.00   1.00    5.00    --  -11.22  57.00  60.00  101
  3  ω    -98.00 -34.00   1.00    5.00    --  -11.22 178.00-150.00   64
  4  ω    -86.00  13.00   1.00    5.00    --  -11.22 -37.00 -90.00   99
  5  ω    -63.00  24.00   1.00    5.00    --   11.30 -37.00-150.00   87
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'New Xcalibur, Atlas'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0067658000
_diffrn_orient_matrix_UB_12      -0.0131226000
_diffrn_orient_matrix_UB_13      -0.0298224000
_diffrn_orient_matrix_UB_21      -0.0276815000
_diffrn_orient_matrix_UB_22      0.0360999000
_diffrn_orient_matrix_UB_23      -0.0049461000
_diffrn_orient_matrix_UB_31      0.0255697000
_diffrn_orient_matrix_UB_32      0.0356025000
_diffrn_orient_matrix_UB_33      -0.0059310000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4551
_reflns_number_total             5971
_reflns_odcompleteness_completeness 99.71
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_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 1.171.38.46 (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_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         1.388
_refine_diff_density_min         -0.502
_refine_diff_density_rms         0.112
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.110
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     361
_refine_ls_number_reflns         5971
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0737
_refine_ls_R_factor_gt           0.0474
_refine_ls_restrained_S_all      1.110
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0487P)²+29.6662P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1108
_refine_ls_wR_factor_ref         0.1279
_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:
 C102(H10D,H10E), C103(H10F,H10G)
2.b Aromatic/amide H refined with riding coordinates:
 C12(H12), C13(H13), C14(H14), C15(H15), C16(H16), C22(H22), C23(H23),
 C24(H24), C25(H25), C26(H26), C32(H32), C33(H33), C34(H34), C35(H35), C36(H36),
  C42(H42), C52(H52)
2.c Idealised Me refined as rotating group:
 C44(H44A,H44B,H44C), C45(H45A,H45B,H45C), C54(H54A,H54B,H54C), C55(H55A,H55B,
 H55C), C101(H10A,H10B,H10C)
;
_atom_sites_solution_hydrogens   mixed
_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
Rh1 Rh 0.28784(2) 0.66032(2) 0.43556(2) 0.02162(12) Uani 1 1 d . . . . .
P1 P 0.36809(6) 0.78479(8) 0.46052(5) 0.0233(2) Uani 1 1 d . . . . .
N1 N 0.20553(18) 0.5602(3) 0.39432(15) 0.0249(8) Uani 1 1 d . . . . .
N2 N 0.19183(18) 0.5716(3) 0.33510(15) 0.0264(8) Uani 1 1 d . . . . .
N3 N 0.34811(18) 0.6045(3) 0.37066(15) 0.0253(8) Uani 1 1 d . . . . .
N4 N 0.31433(19) 0.6104(3) 0.31460(15) 0.0270(8) Uani 1 1 d . . . . .
C1 C 0.250000 0.6789(4) 0.500000 0.0230(13) Uani 1 2 d S T P . .
C11 C 0.4468(2) 0.7904(3) 0.4228(2) 0.0274(10) Uani 1 1 d . . . . .
C12 C 0.4348(3) 0.7946(4) 0.3622(2) 0.0372(11) Uani 1 1 d . . . . .
H12 H 0.388032 0.790528 0.342006 0.045 Uiso 1 1 calc R . . . .
C13 C 0.4926(3) 0.8048(4) 0.3320(3) 0.0471(14) Uani 1 1 d . . . . .
H13 H 0.484521 0.808329 0.291715 0.057 Uiso 1 1 calc R . . . .
C14 C 0.5621(3) 0.8097(4) 0.3622(3) 0.0485(15) Uani 1 1 d . . . . .
H14 H 0.600766 0.816855 0.342025 0.058 Uiso 1 1 calc R . . . .
C15 C 0.5745(3) 0.8041(4) 0.4212(3) 0.0473(14) Uani 1 1 d . . . . .
H15 H 0.621554 0.806967 0.441060 0.057 Uiso 1 1 calc R . . . .
C16 C 0.5173(2) 0.7942(3) 0.4519(2) 0.0354(11) Uani 1 1 d . . . . .
H16 H 0.526246 0.790000 0.492185 0.042 Uiso 1 1 calc R . . . .
C21 C 0.3290(2) 0.9068(3) 0.44150(18) 0.0265(9) Uani 1 1 d . . . . .
C22 C 0.3721(2) 0.9892(3) 0.4362(2) 0.0304(10) Uani 1 1 d . . . . .
H22 H 0.421975 0.982051 0.440671 0.036 Uiso 1 1 calc R . . . .
C23 C 0.3419(3) 1.0802(4) 0.4246(2) 0.0357(11) Uani 1 1 d . . . . .
H23 H 0.371173 1.134760 0.421518 0.043 Uiso 1 1 calc R . . . .
C24 C 0.2671(3) 1.0913(4) 0.4175(2) 0.0375(11) Uani 1 1 d . . . . .
H24 H 0.246446 1.153308 0.409957 0.045 Uiso 1 1 calc R . . . .
C25 C 0.2239(2) 1.0102(3) 0.42157(19) 0.0306(10) Uani 1 1 d . . . . .
H25 H 0.174055 1.017766 0.416915 0.037 Uiso 1 1 calc R . . . .
C26 C 0.2540(2) 0.9181(3) 0.43252(18) 0.0254(9) Uani 1 1 d . . . . .
H26 H 0.224408 0.863308 0.433928 0.030 Uiso 1 1 calc R . . . .
C31 C 0.4104(2) 0.7955(3) 0.53651(19) 0.0266(9) Uani 1 1 d . . . . .
C32 C 0.4187(2) 0.7099(4) 0.5696(2) 0.0321(10) Uani 1 1 d . . . . .
H32 H 0.401201 0.650334 0.553152 0.038 Uiso 1 1 calc R . . . .
C33 C 0.4529(3) 0.7120(4) 0.6269(2) 0.0395(12) Uani 1 1 d . . . . .
H33 H 0.458296 0.654250 0.648731 0.047 Uiso 1 1 calc R . . . .
C34 C 0.4788(3) 0.7998(4) 0.6514(2) 0.0410(12) Uani 1 1 d . . . . .
H34 H 0.501846 0.801234 0.689722 0.049 Uiso 1 1 calc R . . . .
C35 C 0.4709(2) 0.8855(4) 0.6193(2) 0.0341(11) Uani 1 1 d . . . . .
H35 H 0.488646 0.944765 0.636026 0.041 Uiso 1 1 calc R . . . .
C36 C 0.4367(2) 0.8835(4) 0.5628(2) 0.0313(10) Uani 1 1 d . . . . .
H36 H 0.431026 0.941955 0.541640 0.038 Uiso 1 1 calc R . . . .
C41 C 0.1639(2) 0.4842(3) 0.4069(2) 0.0286(10) Uani 1 1 d . . . . .
C42 C 0.1236(2) 0.4493(3) 0.3560(2) 0.0326(11) Uani 1 1 d . . . . .
H42 H 0.089957 0.398426 0.352721 0.039 Uiso 1 1 calc R . . . .
C43 C 0.1427(2) 0.5040(3) 0.3115(2) 0.0317(10) Uani 1 1 d . . . . .
C44 C 0.1636(3) 0.4479(4) 0.4671(2) 0.0354(11) Uani 1 1 d . . . . .
H44A H 0.193458 0.390223 0.473843 0.053 Uiso 1 1 calc GR . . . .
H44B H 0.115112 0.431718 0.471958 0.053 Uiso 1 1 calc GR . . . .
H44C H 0.182023 0.498509 0.494302 0.053 Uiso 1 1 calc GR . . . .
C45 C 0.1172(3) 0.4959(4) 0.2477(2) 0.0447(13) Uani 1 1 d . . . . .
H45A H 0.089969 0.553727 0.234305 0.067 Uiso 1 1 calc GR . . . .
H45B H 0.087231 0.438495 0.239861 0.067 Uiso 1 1 calc GR . . . .
H45C H 0.158106 0.490261 0.227808 0.067 Uiso 1 1 calc GR . . . .
C51 C 0.4112(2) 0.5580(3) 0.3701(2) 0.0299(10) Uani 1 1 d . . . . .
C52 C 0.4185(3) 0.5362(4) 0.3129(2) 0.0359(11) Uani 1 1 d . . . . .
H52 H 0.457639 0.505871 0.300305 0.043 Uiso 1 1 calc R . . . .
C53 C 0.3565(3) 0.5684(4) 0.2790(2) 0.0330(10) Uani 1 1 d . . . . .
C54 C 0.4602(2) 0.5362(4) 0.4253(2) 0.0380(11) Uani 1 1 d . . . . .
H54A H 0.446924 0.576459 0.455847 0.057 Uiso 1 1 calc GR . . . .
H54B H 0.509078 0.550392 0.420766 0.057 Uiso 1 1 calc GR . . . .
H54C H 0.456031 0.467803 0.435018 0.057 Uiso 1 1 calc GR . . . .
C55 C 0.3322(3) 0.5608(4) 0.2154(2) 0.0466(13) Uani 1 1 d . . . . .
H55A H 0.286494 0.527566 0.208116 0.070 Uiso 1 1 calc GR . . . .
H55B H 0.367162 0.524085 0.198192 0.070 Uiso 1 1 calc GR . . . .
H55C H 0.327389 0.625772 0.198841 0.070 Uiso 1 1 calc GR . . . .
B1 B 0.2356(3) 0.6490(4) 0.3064(2) 0.0299(11) Uani 1 1 d . . . . .
H1A H 0.214(2) 0.656(3) 0.2628(17) 0.013(10) Uiso 1 1 d . . . . .
H1B H 0.236(3) 0.720(4) 0.330(2) 0.037(13) Uiso 1 1 d . . . . .
C101 C 0.3211(4) 0.3380(5) 0.3705(4) 0.079(2) Uani 1 1 d . . . . .
H10A H 0.307774 0.405567 0.362380 0.118 Uiso 1 1 calc GR . . . .
H10B H 0.367432 0.335484 0.394850 0.118 Uiso 1 1 calc GR . . . .
H10C H 0.285726 0.306803 0.389912 0.118 Uiso 1 1 calc GR . . . .
C102 C 0.3251(4) 0.2842(5) 0.3138(3) 0.0703(19) Uani 1 1 d . . . . .
H10D H 0.356877 0.319873 0.292109 0.084 Uiso 1 1 calc R . . . .
H10E H 0.345012 0.218737 0.322142 0.084 Uiso 1 1 calc R . . . .
C103 C 0.2511(4) 0.2760(6) 0.2779(3) 0.080(2) Uani 1 1 d . . . . .
H10F H 0.219675 0.241731 0.300562 0.096 Uiso 1 1 calc R . . . .
H10G H 0.231815 0.341971 0.270172 0.096 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
Rh1 P1 2.2736(11) . ?
Rh1 N1 2.162(3) . ?
Rh1 N3 2.165(4) . ?
Rh1 C1 1.7794(9) . ?
P1 C11 1.837(4) . ?
P1 C21 1.834(4) . ?
P1 C31 1.829(4) . ?
N1 N2 1.373(5) . ?
N1 C41 1.353(6) . ?
N2 C43 1.352(6) . ?
N2 B1 1.548(6) . ?
N3 N4 1.362(5) . ?
N3 C51 1.343(6) . ?
N4 C53 1.359(6) . ?
N4 B1 1.550(6) . ?
C11 C12 1.395(7) . ?
C11 C16 1.389(6) . ?
C12 H12 0.9300 . ?
C12 C13 1.391(7) . ?
C13 H13 0.9300 . ?
C13 C14 1.381(8) . ?
C14 H14 0.9300 . ?
C14 C15 1.361(8) . ?
C15 H15 0.9300 . ?
C15 C16 1.388(7) . ?
C16 H16 0.9300 . ?
C21 C22 1.394(6) . ?
C21 C26 1.398(6) . ?
C22 H22 0.9300 . ?
C22 C23 1.366(7) . ?
C23 H23 0.9300 . ?
C23 C24 1.394(7) . ?
C24 H24 0.9300 . ?
C24 C25 1.377(7) . ?
C25 H25 0.9300 . ?
C25 C26 1.377(6) . ?
C26 H26 0.9300 . ?
C31 C32 1.388(6) . ?
C31 C36 1.395(6) . ?
C32 H32 0.9300 . ?
C32 C33 1.389(7) . ?
C33 H33 0.9300 . ?
C33 C34 1.372(7) . ?
C34 H34 0.9300 . ?
C34 C35 1.376(7) . ?
C35 H35 0.9300 . ?
C35 C36 1.371(6) . ?
C36 H36 0.9300 . ?
C41 C42 1.385(6) . ?
C41 C44 1.487(6) . ?
C42 H42 0.9300 . ?
C42 C43 1.368(7) . ?
C43 C45 1.495(7) . ?
C44 H44A 0.9600 . ?
C44 H44B 0.9600 . ?
C44 H44C 0.9600 . ?
C45 H45A 0.9600 . ?
C45 H45B 0.9600 . ?
C45 H45C 0.9600 . ?
C51 C52 1.393(6) . ?
C51 C54 1.488(6) . ?
C52 H52 0.9300 . ?
C52 C53 1.369(7) . ?
C53 C55 1.485(7) . ?
C54 H54A 0.9600 . ?
C54 H54B 0.9600 . ?
C54 H54C 0.9600 . ?
C55 H55A 0.9600 . ?
C55 H55B 0.9600 . ?
C55 H55C 0.9600 . ?
B1 H1A 1.04(4) . ?
B1 H1B 1.11(5) . ?
C101 H10A 0.9600 . ?
C101 H10B 0.9600 . ?
C101 H10C 0.9600 . ?
C101 C102 1.520(10) . ?
C102 H10D 0.9700 . ?
C102 H10E 0.9700 . ?
C102 C103 1.508(10) . ?
C103 C103 1.475(15) 7 ?
C103 H10F 0.9700 . ?
C103 H10G 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
N1 Rh1 P1 167.38(10) . . ?
N1 Rh1 N3 83.41(13) . . ?
N3 Rh1 P1 92.28(10) . . ?
C1 Rh1 P1 90.91(15) . . ?
C1 Rh1 N1 96.42(15) . . ?
C1 Rh1 N3 164.37(17) . . ?
C11 P1 Rh1 117.26(14) . . ?
C21 P1 Rh1 112.55(14) . . ?
C21 P1 C11 99.6(2) . . ?
C31 P1 Rh1 118.34(15) . . ?
C31 P1 C11 101.7(2) . . ?
C31 P1 C21 104.9(2) . . ?
N2 N1 Rh1 112.5(3) . . ?
C41 N1 Rh1 140.9(3) . . ?
C41 N1 N2 106.4(3) . . ?
N1 N2 B1 119.0(3) . . ?
C43 N2 N1 109.8(4) . . ?
C43 N2 B1 131.0(4) . . ?
N4 N3 Rh1 115.8(3) . . ?
C51 N3 Rh1 136.9(3) . . ?
C51 N3 N4 107.1(4) . . ?
N3 N4 B1 115.3(3) . . ?
C53 N4 N3 109.5(4) . . ?
C53 N4 B1 134.6(4) . . ?
Rh1 C1 Rh1 163.7(4) 2_556 . ?
C12 C11 P1 118.4(3) . . ?
C16 C11 P1 122.9(4) . . ?
C16 C11 C12 118.7(4) . . ?
C11 C12 H12 119.9 . . ?
C13 C12 C11 120.3(5) . . ?
C13 C12 H12 119.9 . . ?
C12 C13 H13 120.1 . . ?
C14 C13 C12 119.7(5) . . ?
C14 C13 H13 120.1 . . ?
C13 C14 H14 119.7 . . ?
C15 C14 C13 120.5(5) . . ?
C15 C14 H14 119.7 . . ?
C14 C15 H15 119.8 . . ?
C14 C15 C16 120.3(5) . . ?
C16 C15 H15 119.8 . . ?
C11 C16 H16 119.8 . . ?
C15 C16 C11 120.4(5) . . ?
C15 C16 H16 119.8 . . ?
C22 C21 P1 121.8(3) . . ?
C22 C21 C26 118.9(4) . . ?
C26 C21 P1 119.3(3) . . ?
C21 C22 H22 119.6 . . ?
C23 C22 C21 120.8(4) . . ?
C23 C22 H22 119.6 . . ?
C22 C23 H23 120.1 . . ?
C22 C23 C24 119.9(4) . . ?
C24 C23 H23 120.1 . . ?
C23 C24 H24 120.1 . . ?
C25 C24 C23 119.9(4) . . ?
C25 C24 H24 120.1 . . ?
C24 C25 H25 119.8 . . ?
C26 C25 C24 120.5(4) . . ?
C26 C25 H25 119.8 . . ?
C21 C26 H26 120.0 . . ?
C25 C26 C21 120.0(4) . . ?
C25 C26 H26 120.0 . . ?
C32 C31 P1 117.7(3) . . ?
C32 C31 C36 118.0(4) . . ?
C36 C31 P1 124.3(4) . . ?
C31 C32 H32 119.6 . . ?
C31 C32 C33 120.7(4) . . ?
C33 C32 H32 119.6 . . ?
C32 C33 H33 120.1 . . ?
C34 C33 C32 119.8(5) . . ?
C34 C33 H33 120.1 . . ?
C33 C34 H34 119.8 . . ?
C33 C34 C35 120.3(5) . . ?
C35 C34 H34 119.8 . . ?
C34 C35 H35 120.0 . . ?
C36 C35 C34 119.9(5) . . ?
C36 C35 H35 120.0 . . ?
C31 C36 H36 119.4 . . ?
C35 C36 C31 121.2(5) . . ?
C35 C36 H36 119.4 . . ?
N1 C41 C42 109.1(4) . . ?
N1 C41 C44 123.1(4) . . ?
C42 C41 C44 127.8(4) . . ?
C41 C42 H42 126.5 . . ?
C43 C42 C41 107.0(4) . . ?
C43 C42 H42 126.5 . . ?
N2 C43 C42 107.6(4) . . ?
N2 C43 C45 123.0(4) . . ?
C42 C43 C45 129.5(4) . . ?
C41 C44 H44A 109.5 . . ?
C41 C44 H44B 109.5 . . ?
C41 C44 H44C 109.5 . . ?
H44A C44 H44B 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C43 C45 H45A 109.5 . . ?
C43 C45 H45B 109.5 . . ?
C43 C45 H45C 109.5 . . ?
H45A C45 H45B 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
N3 C51 C52 109.2(4) . . ?
N3 C51 C54 120.5(4) . . ?
C52 C51 C54 130.3(4) . . ?
C51 C52 H52 126.8 . . ?
C53 C52 C51 106.4(4) . . ?
C53 C52 H52 126.8 . . ?
N4 C53 C52 107.7(4) . . ?
N4 C53 C55 121.6(4) . . ?
C52 C53 C55 130.7(5) . . ?
C51 C54 H54A 109.5 . . ?
C51 C54 H54B 109.5 . . ?
C51 C54 H54C 109.5 . . ?
H54A C54 H54B 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
C53 C55 H55A 109.5 . . ?
C53 C55 H55B 109.5 . . ?
C53 C55 H55C 109.5 . . ?
H55A C55 H55B 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?
N2 B1 N4 106.2(4) . . ?
N2 B1 H1A 109(2) . . ?
N2 B1 H1B 110(3) . . ?
N4 B1 H1A 112(2) . . ?
N4 B1 H1B 108(2) . . ?
H1A B1 H1B 112(3) . . ?
H10A C101 H10B 109.5 . . ?
H10A C101 H10C 109.5 . . ?
H10B C101 H10C 109.5 . . ?
C102 C101 H10A 109.5 . . ?
C102 C101 H10B 109.5 . . ?
C102 C101 H10C 109.5 . . ?
C101 C102 H10D 109.6 . . ?
C101 C102 H10E 109.6 . . ?
H10D C102 H10E 108.1 . . ?
C103 C102 C101 110.5(6) . . ?
C103 C102 H10D 109.6 . . ?
C103 C102 H10E 109.6 . . ?
C102 C103 H10F 108.6 . . ?
C102 C103 H10G 108.6 . . ?
C103 C103 C102 114.8(8) 7 . ?
C103 C103 H10F 108.6 7 . ?
C103 C103 H10G 108.6 7 . ?
H10F C103 H10G 107.5 . . ?


_ins_header                      
;
TITL HB_76-1_scale in I2/a 
REM I2/a (#15 in standard setting)
CELL 0.71073  18.760516  13.544747  23.326639  90.0000  99.1549  90.0000
ZERR    4.00   0.000745   0.000583   0.000990   0.0000   0.0038   0.0000
LATT  2
SYMM -x+1/2, y,-z 
SFAC C H B N P Rh
UNIT 228.00 248.00 8.00 32.00 8.00 8.00
TREF
HKLF 4
END
;
_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 1.158
_oxdiff_exptl_absorpt_empirical_full_min 0.842
####################################################################### 
# 
# 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_HB_46-3-3
_database_code_depnum_ccdc_archive 'CCDC 1834294'
_audit_update_record             
;
2018-04-03 deposited with the CCDC.
2018-06-26 downloaded from the CCDC.
;
_audit_creation_date             2017-07-06
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.03.28 svn.r3405 for OlexSys, GUI svn.r5337)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C55 H50 B2 N12 P2 Rh2'
_chemical_formula_sum            'C55 H50 B2 N12 P2 Rh2'
_chemical_formula_weight         1168.45
_chemical_absolute_configuration ?
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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           18
_space_group_name_H-M_alt        'P 21 21 2'
_space_group_name_Hall           'P 2 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'-x+1/2, y+1/2, -z'
'x+1/2, -y+1/2, -z'

_cell_length_a                   18.8404(3)
_cell_length_b                   13.2630(2)
_cell_length_c                   11.7030(2)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2924.35(8)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    23645
_cell_measurement_temperature    150.00(10)
_cell_measurement_theta_max      29.4260
_cell_measurement_theta_min      3.6460
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.664
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.95090
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.46 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            red
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.327
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             1188
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
18 14 -2 0.1678
-19 -13 2 0.0073
15 -15 -1 0.0811
-18 13 1 0.0777
26 5 -2 0.1676
-1 1 -16 0.0159
2 0 16 0.0440
12 5 14 0.1087
-7 5 15 0.0339
17 12 7 0.1558
-20 -4 10 0.0215
-11 -10 12 0.0100
16 0 13 0.1024
4 -18 -2 0.0546

_exptl_crystal_size_max          0.182
_exptl_crystal_size_mid          0.181
_exptl_crystal_size_min          0.059
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
18.0000 14.0000 -2.0000 0.2285 0.1567 -0.9784
-19.0000 -13.0000 2.0000 -0.1728 -0.1225 0.9821
15.0000 -15.0000 -1.0000 -0.8664 -0.4611 -0.0610
-18.0000 13.0000 1.0000 0.8313 0.4592 0.2125
26.0000 5.0000 -2.0000 -0.2573 -0.1377 -0.9793
-1.0000 1.0000 -16.0000 -0.4435 0.8586 -0.1004
2.0000 -0.0000 16.0000 0.4687 -0.8510 0.0405
12.0000 5.0000 14.0000 0.4557 -0.7762 -0.4307
-7.0000 5.0000 15.0000 0.7769 -0.5755 0.1792
17.0000 12.0000 7.0000 0.4438 -0.3356 -0.8319
-20.0000 -4.0000 10.0000 0.4557 -0.3333 0.8127
-11.0000 -10.0000 12.0000 0.1383 -0.6813 0.7086
16.0000 0.0000 13.0000 0.1613 -0.8823 -0.4236
4.0000 -18.0000 -2.0000 -0.8508 -0.3263 0.3663

_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0407
_diffrn_reflns_av_unetI/netI     0.0333
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.901
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            52285
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.880
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.121
_diffrn_reflns_theta_min         3.257
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      150.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.3744
_diffrn_detector_type            Atlas
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.901
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -86.00  13.00   1.00   60.00    --  -11.22 -37.00 150.00   99
  2  ω    -20.00  30.00   1.00   60.00    --  -11.22 -99.00  90.00   50
  3  ω    -37.00  62.00   1.00   60.00    --  -11.22  43.00 -63.00   99
  4  ω    -61.00  39.00   1.00   60.00    --   11.30 -57.00 -30.00  100
  5  ω    -17.00  84.00   1.00   60.00    --   11.30  57.00 120.00  101
  6  ω    -20.00  41.00   1.00   60.00    --   11.30 -99.00  90.00   61
  7  ω    -63.00  36.00   1.00   60.00    --   11.30 -37.00 120.00   99
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'New Xcalibur, Atlas'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0152673000
_diffrn_orient_matrix_UB_12      0.0404095000
_diffrn_orient_matrix_UB_13      0.0312014000
_diffrn_orient_matrix_UB_21      -0.0132775000
_diffrn_orient_matrix_UB_22      0.0209008000
_diffrn_orient_matrix_UB_23      -0.0515273000
_diffrn_orient_matrix_UB_31      -0.0317574000
_diffrn_orient_matrix_UB_32      -0.0281274000
_diffrn_orient_matrix_UB_33      0.0065016000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage         0.759
_reflns_Friedel_fraction_full    0.999
_reflns_Friedel_fraction_max     0.854
_reflns_number_gt                6900
_reflns_number_total             7607
_reflns_odcompleteness_completeness 99.65
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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 1.171.38.46 (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_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 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         0.436
_refine_diff_density_min         -0.392
_refine_diff_density_rms         0.080
_refine_ls_abs_structure_details 
;
 Flack x determined using 2789 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.023(9)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.066
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     330
_refine_ls_number_reflns         7607
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0356
_refine_ls_R_factor_gt           0.0273
_refine_ls_restrained_S_all      1.066
_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)+(0.0153P)²+1.7862P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0498
_refine_ls_wR_factor_ref         0.0552
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All B(H) groups, All C(H) groups
2.a Ternary CH refined with riding coordinates:
 B1(H1)
2.b Aromatic/amide H refined with riding coordinates:
 C11(H11), C12(H12), C13(H13), C14(H14), C15(H15), C16(H16), C17(H17),
 C18(H18), C19(H19), C22(H22), C23(H23), C24(H24), C25(H25), C26(H26), C32(H32),
  C33(H33), C34(H34), C35(H35), C36(H36), C42(H42), C43(H43), C44(H44),
 C45(H45), C46(H46)
;
_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
Rh1 Rh 0.41589(2) 0.44253(2) 0.74142(2) 0.01800(6) Uani 1 1 d . . . . .
P1 P 0.43757(4) 0.33031(6) 0.88058(7) 0.01942(17) Uani 1 1 d . . . . .
N1 N 0.36129(14) 0.3343(2) 0.6215(2) 0.0242(6) Uani 1 1 d . . . . .
N2 N 0.30207(15) 0.3629(2) 0.5639(2) 0.0255(6) Uani 1 1 d . . . . .
N3 N 0.30029(14) 0.4759(2) 0.7884(2) 0.0244(6) Uani 1 1 d . . . . .
N4 N 0.25158(14) 0.4864(2) 0.7034(2) 0.0266(6) Uani 1 1 d . . . . .
N5 N 0.39719(13) 0.5420(2) 0.5975(2) 0.0222(6) Uani 1 1 d . . . . .
N6 N 0.33248(14) 0.5438(2) 0.5443(2) 0.0242(6) Uani 1 1 d . . . . .
C1 C 0.500000 0.500000 0.7628(4) 0.0198(8) Uani 1 2 d S T P . .
C11 C 0.3794(2) 0.2438(3) 0.5810(3) 0.0302(8) Uani 1 1 d . . . . .
H11 H 0.418368 0.206403 0.605249 0.036 Uiso 1 1 calc R . . . .
C12 C 0.3314(2) 0.2136(3) 0.4973(3) 0.0372(9) Uani 1 1 d . . . . .
H12 H 0.331754 0.153699 0.456025 0.045 Uiso 1 1 calc R . . . .
C13 C 0.2840(2) 0.2907(3) 0.4889(3) 0.0339(8) Uani 1 1 d . . . . .
H13 H 0.245366 0.292908 0.439456 0.041 Uiso 1 1 calc R . . . .
C14 C 0.26670(19) 0.4977(3) 0.8854(3) 0.0292(8) Uani 1 1 d . . . . .
H14 H 0.287572 0.496259 0.957368 0.035 Uiso 1 1 calc R . . . .
C15 C 0.19634(19) 0.5230(3) 0.8647(3) 0.0365(9) Uani 1 1 d . . . . .
H15 H 0.161900 0.541397 0.917631 0.044 Uiso 1 1 calc R . . . .
C16 C 0.18916(16) 0.5146(3) 0.7491(4) 0.0361(8) Uani 1 1 d . . . . .
H16 H 0.147644 0.526575 0.708332 0.043 Uiso 1 1 calc R . . . .
C17 C 0.43911(19) 0.6042(3) 0.5381(3) 0.0269(7) Uani 1 1 d . . . . .
H17 H 0.486435 0.617273 0.555186 0.032 Uiso 1 1 calc R . . . .
C18 C 0.40226(19) 0.6467(3) 0.4473(3) 0.0306(8) Uani 1 1 d . . . . .
H18 H 0.419249 0.692373 0.393497 0.037 Uiso 1 1 calc R . . . .
C19 C 0.33504(19) 0.6064(3) 0.4543(3) 0.0294(8) Uani 1 1 d . . . . .
H19 H 0.297636 0.620234 0.404889 0.035 Uiso 1 1 calc R . . . .
C21 C 0.38984(17) 0.2114(2) 0.8586(3) 0.0217(7) Uani 1 1 d . . . . .
C22 C 0.42305(18) 0.1181(2) 0.8529(3) 0.0281(7) Uani 1 1 d . . . . .
H22 H 0.472001 0.113986 0.862028 0.034 Uiso 1 1 calc R . . . .
C23 C 0.3842(2) 0.0307(3) 0.8337(3) 0.0359(9) Uani 1 1 d . . . . .
H23 H 0.407067 -0.031234 0.829213 0.043 Uiso 1 1 calc R . . . .
C24 C 0.3113(2) 0.0362(3) 0.8212(3) 0.0349(9) Uani 1 1 d . . . . .
H24 H 0.285131 -0.022120 0.808098 0.042 Uiso 1 1 calc R . . . .
C25 C 0.27744(18) 0.1284(3) 0.8281(3) 0.0301(8) Uani 1 1 d . . . . .
H25 H 0.228376 0.131982 0.820456 0.036 Uiso 1 1 calc R . . . .
C26 C 0.31634(17) 0.2154(3) 0.8464(3) 0.0260(7) Uani 1 1 d . . . . .
H26 H 0.293161 0.277237 0.850565 0.031 Uiso 1 1 calc R . . . .
C31 C 0.40852(18) 0.3645(2) 1.0246(3) 0.0228(6) Uani 1 1 d . . . . .
C32 C 0.41619(19) 0.4640(2) 1.0602(3) 0.0267(7) Uani 1 1 d . . . . .
H32 H 0.431030 0.513061 1.008743 0.032 Uiso 1 1 calc R . . . .
C33 C 0.40167(19) 0.4900(3) 1.1728(3) 0.0345(8) Uani 1 1 d . . . . .
H33 H 0.407571 0.556248 1.196894 0.041 Uiso 1 1 calc R . . . .
C34 C 0.37855(19) 0.4178(3) 1.2489(4) 0.0407(9) Uani 1 1 d . . . . .
H34 H 0.369866 0.435079 1.324674 0.049 Uiso 1 1 calc R . . . .
C35 C 0.3683(2) 0.3200(3) 1.2129(3) 0.0441(10) Uani 1 1 d . . . . .
H35 H 0.351415 0.271809 1.263747 0.053 Uiso 1 1 calc R . . . .
C36 C 0.3830(2) 0.2936(3) 1.1016(3) 0.0325(8) Uani 1 1 d . . . . .
H36 H 0.375773 0.227526 1.077768 0.039 Uiso 1 1 calc R . . . .
C41 C 0.52916(16) 0.2898(2) 0.9054(3) 0.0220(7) Uani 1 1 d . . . . .
C42 C 0.55484(19) 0.2627(3) 1.0129(3) 0.0308(8) Uani 1 1 d . . . . .
H42 H 0.524981 0.265635 1.076129 0.037 Uiso 1 1 calc R . . . .
C43 C 0.6241(2) 0.2315(3) 1.0262(4) 0.0380(9) Uani 1 1 d . . . . .
H43 H 0.640144 0.211654 1.097880 0.046 Uiso 1 1 calc R . . . .
C44 C 0.6699(2) 0.2294(3) 0.9344(4) 0.0375(9) Uani 1 1 d . . . . .
H44 H 0.716913 0.209779 0.944401 0.045 Uiso 1 1 calc R . . . .
C45 C 0.64575(19) 0.2565(3) 0.8278(4) 0.0364(9) Uani 1 1 d . . . . .
H45 H 0.676332 0.255159 0.765468 0.044 Uiso 1 1 calc R . . . .
C46 C 0.57553(19) 0.2859(2) 0.8135(3) 0.0290(7) Uani 1 1 d . . . . .
H46 H 0.559355 0.303356 0.741111 0.035 Uiso 1 1 calc R . . . .
B1 B 0.2730(2) 0.4698(3) 0.5783(3) 0.0279(9) Uani 1 1 d . . . . .
H1 H 0.231710 0.479444 0.528456 0.033 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
Rh1 P1 2.2438(8) . ?
Rh1 N1 2.256(3) . ?
Rh1 N3 2.289(3) . ?
Rh1 N5 2.168(3) . ?
Rh1 C1 1.7761(7) . ?
P1 C21 1.833(3) . ?
P1 C31 1.829(3) . ?
P1 C41 1.831(3) . ?
N1 N2 1.357(4) . ?
N1 C11 1.335(4) . ?
N2 C13 1.344(4) . ?
N2 B1 1.529(5) . ?
N3 N4 1.360(4) . ?
N3 C14 1.331(4) . ?
N4 C16 1.345(4) . ?
N4 B1 1.535(5) . ?
N5 N6 1.369(3) . ?
N5 C17 1.338(4) . ?
N6 C19 1.342(4) . ?
N6 B1 1.542(5) . ?
C11 H11 0.9300 . ?
C11 C12 1.392(5) . ?
C12 H12 0.9300 . ?
C12 C13 1.362(5) . ?
C13 H13 0.9300 . ?
C14 H14 0.9300 . ?
C14 C15 1.389(5) . ?
C15 H15 0.9300 . ?
C15 C16 1.363(6) . ?
C16 H16 0.9300 . ?
C17 H17 0.9300 . ?
C17 C18 1.389(5) . ?
C18 H18 0.9300 . ?
C18 C19 1.377(5) . ?
C19 H19 0.9300 . ?
C21 C22 1.389(5) . ?
C21 C26 1.393(5) . ?
C22 H22 0.9300 . ?
C22 C23 1.389(5) . ?
C23 H23 0.9300 . ?
C23 C24 1.382(5) . ?
C24 H24 0.9300 . ?
C24 C25 1.382(5) . ?
C25 H25 0.9300 . ?
C25 C26 1.384(5) . ?
C26 H26 0.9300 . ?
C31 C32 1.392(4) . ?
C31 C36 1.388(5) . ?
C32 H32 0.9300 . ?
C32 C33 1.389(5) . ?
C33 H33 0.9300 . ?
C33 C34 1.379(5) . ?
C34 H34 0.9300 . ?
C34 C35 1.377(5) . ?
C35 H35 0.9300 . ?
C35 C36 1.377(5) . ?
C36 H36 0.9300 . ?
C41 C42 1.395(5) . ?
C41 C46 1.386(5) . ?
C42 H42 0.9300 . ?
C42 C43 1.378(5) . ?
C43 H43 0.9300 . ?
C43 C44 1.379(6) . ?
C44 H44 0.9300 . ?
C44 C45 1.375(5) . ?
C45 H45 0.9300 . ?
C45 C46 1.389(5) . ?
C46 H46 0.9300 . ?
B1 H1 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
P1 Rh1 N1 96.46(7) . . ?
P1 Rh1 N3 97.31(7) . . ?
N1 Rh1 N3 80.71(10) . . ?
N5 Rh1 P1 175.57(8) . . ?
N5 Rh1 N1 80.20(10) . . ?
N5 Rh1 N3 85.08(9) . . ?
C1 Rh1 P1 91.15(11) . . ?
C1 Rh1 N1 140.13(14) . . ?
C1 Rh1 N3 137.05(10) . . ?
C1 Rh1 N5 89.61(13) . . ?
C21 P1 Rh1 112.29(10) . . ?
C31 P1 Rh1 116.74(11) . . ?
C31 P1 C21 101.28(15) . . ?
C31 P1 C41 102.04(15) . . ?
C41 P1 Rh1 118.80(11) . . ?
C41 P1 C21 103.42(15) . . ?
N2 N1 Rh1 120.4(2) . . ?
C11 N1 Rh1 132.6(2) . . ?
C11 N1 N2 106.6(3) . . ?
N1 N2 B1 120.0(3) . . ?
C13 N2 N1 109.5(3) . . ?
C13 N2 B1 129.9(3) . . ?
N4 N3 Rh1 119.09(19) . . ?
C14 N3 Rh1 134.3(2) . . ?
C14 N3 N4 106.3(3) . . ?
N3 N4 B1 120.4(3) . . ?
C16 N4 N3 109.1(3) . . ?
C16 N4 B1 130.5(3) . . ?
N6 N5 Rh1 120.58(19) . . ?
C17 N5 Rh1 133.1(2) . . ?
C17 N5 N6 106.2(3) . . ?
N5 N6 B1 121.3(3) . . ?
C19 N6 N5 109.6(3) . . ?
C19 N6 B1 128.5(3) . . ?
Rh1 C1 Rh1 163.8(3) 2_665 . ?
N1 C11 H11 125.0 . . ?
N1 C11 C12 110.0(3) . . ?
C12 C11 H11 125.0 . . ?
C11 C12 H12 127.4 . . ?
C13 C12 C11 105.2(3) . . ?
C13 C12 H12 127.4 . . ?
N2 C13 C12 108.7(3) . . ?
N2 C13 H13 125.6 . . ?
C12 C13 H13 125.6 . . ?
N3 C14 H14 124.5 . . ?
N3 C14 C15 110.9(3) . . ?
C15 C14 H14 124.5 . . ?
C14 C15 H15 127.8 . . ?
C16 C15 C14 104.4(3) . . ?
C16 C15 H15 127.8 . . ?
N4 C16 C15 109.3(3) . . ?
N4 C16 H16 125.4 . . ?
C15 C16 H16 125.4 . . ?
N5 C17 H17 124.7 . . ?
N5 C17 C18 110.7(3) . . ?
C18 C17 H17 124.7 . . ?
C17 C18 H18 127.6 . . ?
C19 C18 C17 104.9(3) . . ?
C19 C18 H18 127.6 . . ?
N6 C19 C18 108.7(3) . . ?
N6 C19 H19 125.7 . . ?
C18 C19 H19 125.7 . . ?
C22 C21 P1 123.5(2) . . ?
C22 C21 C26 118.5(3) . . ?
C26 C21 P1 118.0(3) . . ?
C21 C22 H22 119.5 . . ?
C23 C22 C21 120.9(3) . . ?
C23 C22 H22 119.5 . . ?
C22 C23 H23 120.1 . . ?
C24 C23 C22 119.8(3) . . ?
C24 C23 H23 120.1 . . ?
C23 C24 H24 120.0 . . ?
C23 C24 C25 119.9(3) . . ?
C25 C24 H24 120.0 . . ?
C24 C25 H25 119.9 . . ?
C24 C25 C26 120.2(3) . . ?
C26 C25 H25 119.9 . . ?
C21 C26 H26 119.7 . . ?
C25 C26 C21 120.7(3) . . ?
C25 C26 H26 119.7 . . ?
C32 C31 P1 118.7(2) . . ?
C36 C31 P1 122.3(3) . . ?
C36 C31 C32 118.9(3) . . ?
C31 C32 H32 120.0 . . ?
C33 C32 C31 119.9(3) . . ?
C33 C32 H32 120.0 . . ?
C32 C33 H33 119.9 . . ?
C34 C33 C32 120.2(3) . . ?
C34 C33 H33 119.9 . . ?
C33 C34 H34 120.0 . . ?
C35 C34 C33 120.0(4) . . ?
C35 C34 H34 120.0 . . ?
C34 C35 H35 120.0 . . ?
C34 C35 C36 120.1(4) . . ?
C36 C35 H35 120.0 . . ?
C31 C36 H36 119.6 . . ?
C35 C36 C31 120.8(3) . . ?
C35 C36 H36 119.6 . . ?
C42 C41 P1 123.1(3) . . ?
C46 C41 P1 118.8(2) . . ?
C46 C41 C42 118.1(3) . . ?
C41 C42 H42 119.8 . . ?
C43 C42 C41 120.5(4) . . ?
C43 C42 H42 119.8 . . ?
C42 C43 H43 119.6 . . ?
C42 C43 C44 120.8(4) . . ?
C44 C43 H43 119.6 . . ?
C43 C44 H44 120.2 . . ?
C45 C44 C43 119.6(4) . . ?
C45 C44 H44 120.2 . . ?
C44 C45 H45 120.1 . . ?
C44 C45 C46 119.9(4) . . ?
C46 C45 H45 120.1 . . ?
C41 C46 C45 121.1(3) . . ?
C41 C46 H46 119.4 . . ?
C45 C46 H46 119.4 . . ?
N2 B1 N4 109.4(3) . . ?
N2 B1 N6 107.5(3) . . ?
N2 B1 H1 109.9 . . ?
N4 B1 N6 110.2(3) . . ?
N4 B1 H1 109.9 . . ?
N6 B1 H1 109.9 . . ?


_ins_header                      
;
TITL HB_46-3-3_scale in P2(1)2(1)2 
REM P2(1)2(1)2 (#18, found as P22(1)2(1) in -cba setting)
CELL 0.71073  18.840412  13.262995  11.702965  90.0000  90.0000  90.0000
ZERR    2.00   0.000310   0.000247   0.000197   0.0000   0.0000   0.0000
LATT -1
SYMM -x,-y, z 
SYMM -x+1/2, y+1/2,-z 
SYMM  x+1/2,-y+1/2,-z 
SFAC C H B N P Rh
UNIT 110.00 100.00 4.00 24.00 4.00 4.00
TREF
HKLF 4
END
;
_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 1.127
_oxdiff_exptl_absorpt_empirical_full_min 0.903
####################################################################### 
# 
# 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_hb_47-7_scale_sq
_database_code_depnum_ccdc_archive 'CCDC 1834295'
_audit_update_record             
;
2018-04-03 deposited with the CCDC.
2018-06-26 downloaded from the CCDC.
;
_audit_creation_date             2017-08-25
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.08.10 svn.r3458 for OlexSys, GUI svn.r5381)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C49 H59 B2 N12 P Rh2'
_chemical_formula_sum            'C49 H59 B2 N12 P Rh2'
_chemical_formula_weight         1074.49
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   26.2284(10)
_cell_length_b                   10.6335(4)
_cell_length_c                   38.1132(13)
_cell_angle_alpha                90
_cell_angle_beta                 97.948(4)
_cell_angle_gamma                90
_cell_volume                     10527.6(7)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    9150
_cell_measurement_temperature    150.01(10)
_cell_measurement_theta_max      22.8400
_cell_measurement_theta_min      3.5840
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.702
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.97815
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.46 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            red
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.356
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             4416
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
16 1 -51 0.0176
-16 -1 51 0.0387
-4 -14 23 0.1527
-4 15 2 0.1179
-18 -1 -43 0.0123
18 1 43 0.0563
36 2 5 0.0458
-36 0 -5 0.0159

_exptl_crystal_size_max          0.303
_exptl_crystal_size_mid          0.085
_exptl_crystal_size_min          0.056
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
15.9800 1.0048 -50.9850 0.6152 0.7857 0.0319
-15.9800 -1.0048 50.9850 -0.6152 -0.7857 -0.0319
-4.0391 -13.9894 22.8802 -0.2749 -0.3615 -0.9213
-3.9460 14.9857 2.1249 -0.0220 -0.0248 1.0049
-17.9824 -0.9915 -43.0143 -0.2957 0.9596 -0.0185
17.9824 0.9915 43.0143 0.2957 -0.9596 0.0185
35.9605 1.9944 5.0298 0.9107 -0.4313 0.0444
-35.9541 0.0037 -5.0129 -0.8989 0.4279 0.0883

_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1222
_diffrn_reflns_av_unetI/netI     0.0821
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       45
_diffrn_reflns_limit_l_min       -45
_diffrn_reflns_number            72777
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.027
_diffrn_reflns_theta_max         25.027
_diffrn_reflns_theta_min         3.282
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      150.01(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.3744
_diffrn_detector_type            Atlas
_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    -20.00  32.00   1.00  120.00    --   -8.54 -99.00-120.00   52
  2  ω    -85.00  24.00   1.00  120.00    --   -8.54 -77.00  30.00  109
  3  ω    -16.00  83.00   1.00  120.00    --    8.62  37.00 -90.00   99
  4  ω    -65.00  37.00   1.00  120.00    --    8.62 -57.00 120.00  102
  5  ω      8.00  70.00   1.00  120.00    --    8.62-135.00  45.00   62
  6  ω    -65.00  37.00   1.00  120.00    --    8.62 -57.00 -60.00  102
  7  ω      7.00  32.00   1.00  120.00    --    8.62-133.00-136.00   25
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'New Xcalibur, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0255529000
_diffrn_orient_matrix_UB_12      0.0058221000
_diffrn_orient_matrix_UB_13      -0.0039428000
_diffrn_orient_matrix_UB_21      -0.0093413000
_diffrn_orient_matrix_UB_22      -0.0015068000
_diffrn_orient_matrix_UB_23      -0.0183682000
_diffrn_orient_matrix_UB_31      -0.0024371000
_diffrn_orient_matrix_UB_32      0.0664247000
_diffrn_orient_matrix_UB_33      -0.0000813000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6797
_reflns_number_total             9285
_reflns_odcompleteness_completeness 99.67
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     24.97
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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 1.171.38.46 (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_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 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         1.059
_refine_diff_density_min         -0.547
_refine_diff_density_rms         0.110
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     611
_refine_ls_number_reflns         9285
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0932
_refine_ls_R_factor_gt           0.0594
_refine_ls_restrained_S_all      1.050
_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)+(0.0383P)²+75.6922P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1147
_refine_ls_wR_factor_ref         0.1264
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All B(H) groups, All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 H-Rh2
 1.75 with sigma of 0.05
3.a Ternary CH refined with riding coordinates:
 B1(H1), B2(H2)
3.b Aromatic/amide H refined with riding coordinates:
 C13(H13), C14(H14), C15(H15), C16(H16), C22(H22), C23(H23), C24(H24),
 C25(H25), C26(H26), C32(H32), C33(H33), C34(H34), C35(H35), C36(H36), C42(H42),
  C52(H52), C62(H62), C72(H72), C82(H82), C92(H92)
3.c Idealised Me refined as rotating group:
 C44(H44A,H44B,H44C), C45(H45A,H45B,H45C), C54(H54A,H54B,H54C), C55(H55A,H55B,
 H55C), C64(H64A,H64B,H64C), C65(H65A,H65B,H65C), C74(H74A,H74B,H74C), C75(H75A,
 H75B,H75C), C84(H84A,H84B,H84C), C85(H85A,H85B,H85C), C94(H94A,H94B,H94C),
 C95(H95A,H95B,H95C)
;
_atom_sites_solution_hydrogens   mixed
_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
Rh1 Rh 0.38866(2) 0.56410(4) 0.60414(2) 0.02110(13) Uani 1 1 d . . . . .
Rh2 Rh 0.27623(2) 0.60844(4) 0.64402(2) 0.02152(13) Uani 1 1 d D . . . .
H H 0.289(2) 0.470(4) 0.6629(14) 0.038(17) Uiso 1 1 d D . . . .
P1 P 0.34530(6) 0.37536(14) 0.60393(4) 0.0216(3) Uani 1 1 d . . . . .
N1 N 0.42741(18) 0.7465(4) 0.61097(12) 0.0228(11) Uani 1 1 d . . . . .
N2 N 0.46767(19) 0.7736(4) 0.59258(12) 0.0249(11) Uani 1 1 d . . . . .
N3 N 0.47041(19) 0.4877(4) 0.59498(12) 0.0251(11) Uani 1 1 d . . . . .
N4 N 0.49900(18) 0.5616(5) 0.57529(12) 0.0266(12) Uani 1 1 d . . . . .
N5 N 0.39014(18) 0.6069(4) 0.54261(12) 0.0244(11) Uani 1 1 d . . . . .
N6 N 0.43043(18) 0.6774(4) 0.53422(12) 0.0245(11) Uani 1 1 d . . . . .
N11 N 0.29323(18) 0.7093(4) 0.69340(12) 0.0240(11) Uani 1 1 d . . . . .
N12 N 0.26075(19) 0.8037(4) 0.70067(12) 0.0255(11) Uani 1 1 d . . . . .
N13 N 0.24988(19) 0.7893(4) 0.61978(13) 0.0269(12) Uani 1 1 d . . . . .
N14 N 0.22229(19) 0.8668(4) 0.63886(12) 0.0270(12) Uani 1 1 d . . . . .
N15 N 0.20067(19) 0.5973(4) 0.66169(12) 0.0257(12) Uani 1 1 d . . . . .
N16 N 0.17918(19) 0.7051(4) 0.67273(13) 0.0265(12) Uani 1 1 d . . . . .
C1 C 0.3380(2) 0.5974(5) 0.62773(14) 0.0195(13) Uani 1 1 d . . . . .
C11 C 0.2766(2) 0.3977(5) 0.58820(14) 0.0233(13) Uani 1 1 d . . . . .
C12 C 0.2504(2) 0.5020(5) 0.60058(15) 0.0240(13) Uani 1 1 d . . . . .
C13 C 0.2011(2) 0.5251(6) 0.58308(15) 0.0309(15) Uani 1 1 d . . . . .
H13 H 0.183097 0.594078 0.590000 0.037 Uiso 1 1 calc R . . . .
C14 C 0.1775(2) 0.4499(6) 0.55584(17) 0.0354(16) Uani 1 1 d . . . . .
H14 H 0.144837 0.470046 0.544497 0.042 Uiso 1 1 calc R . . . .
C15 C 0.2027(2) 0.3452(6) 0.54563(16) 0.0346(16) Uani 1 1 d . . . . .
H15 H 0.186209 0.292073 0.528273 0.041 Uiso 1 1 calc R . . . .
C16 C 0.2524(2) 0.3190(5) 0.56110(15) 0.0266(14) Uani 1 1 d . . . . .
H16 H 0.269789 0.249779 0.553671 0.032 Uiso 1 1 calc R . . . .
C21 C 0.3460(2) 0.2965(5) 0.64683(15) 0.0239(14) Uani 1 1 d . . . . .
C22 C 0.3089(2) 0.2068(5) 0.65164(15) 0.0244(14) Uani 1 1 d . . . . .
H22 H 0.282603 0.189865 0.633290 0.029 Uiso 1 1 calc R . . . .
C23 C 0.3107(3) 0.1429(6) 0.68320(17) 0.0365(16) Uani 1 1 d . . . . .
H23 H 0.286087 0.082185 0.686011 0.044 Uiso 1 1 calc R . . . .
C24 C 0.3497(3) 0.1695(6) 0.71089(17) 0.0400(18) Uani 1 1 d . . . . .
H24 H 0.351005 0.127051 0.732328 0.048 Uiso 1 1 calc R . . . .
C25 C 0.3861(3) 0.2586(6) 0.70650(16) 0.0390(17) Uani 1 1 d . . . . .
H25 H 0.412064 0.276345 0.725020 0.047 Uiso 1 1 calc R . . . .
C26 C 0.3844(2) 0.3226(5) 0.67442(15) 0.0266(14) Uani 1 1 d . . . . .
H26 H 0.409243 0.382944 0.671608 0.032 Uiso 1 1 calc R . . . .
C31 C 0.3673(2) 0.2519(5) 0.57562(15) 0.0262(14) Uani 1 1 d . . . . .
C32 C 0.3895(2) 0.2902(6) 0.54623(15) 0.0297(15) Uani 1 1 d . . . . .
H32 H 0.392839 0.375300 0.541369 0.036 Uiso 1 1 calc R . . . .
C33 C 0.4066(2) 0.1999(6) 0.52428(17) 0.0344(16) Uani 1 1 d . . . . .
H33 H 0.421150 0.224536 0.504439 0.041 Uiso 1 1 calc R . . . .
C34 C 0.4023(3) 0.0753(6) 0.53169(17) 0.0388(17) Uani 1 1 d . . . . .
H34 H 0.413837 0.015683 0.516783 0.047 Uiso 1 1 calc R . . . .
C35 C 0.3811(3) 0.0366(6) 0.56070(16) 0.0327(16) Uani 1 1 d . . . . .
H35 H 0.379141 -0.048705 0.565724 0.039 Uiso 1 1 calc R . . . .
C36 C 0.3627(2) 0.1246(5) 0.58257(16) 0.0288(14) Uani 1 1 d . . . . .
H36 H 0.347199 0.098451 0.601874 0.035 Uiso 1 1 calc R . . . .
C41 C 0.4258(2) 0.8412(5) 0.63437(15) 0.0272(14) Uani 1 1 d . . . . .
C42 C 0.4653(3) 0.9257(6) 0.63148(16) 0.0323(15) Uani 1 1 d . . . . .
H42 H 0.473102 0.998048 0.644876 0.039 Uiso 1 1 calc R . . . .
C43 C 0.4905(2) 0.8812(6) 0.60502(16) 0.0303(15) Uani 1 1 d . . . . .
C44 C 0.3857(3) 0.8507(6) 0.65825(18) 0.0379(17) Uani 1 1 d . . . . .
H44A H 0.352311 0.841527 0.644646 0.057 Uiso 1 1 calc GR . . . .
H44B H 0.388093 0.931322 0.669718 0.057 Uiso 1 1 calc GR . . . .
H44C H 0.390933 0.785537 0.675797 0.057 Uiso 1 1 calc GR . . . .
C45 C 0.5360(3) 0.9362(6) 0.59051(18) 0.0425(18) Uani 1 1 d . . . . .
H45A H 0.562035 0.872768 0.590199 0.064 Uiso 1 1 calc GR . . . .
H45B H 0.549724 1.004915 0.605218 0.064 Uiso 1 1 calc GR . . . .
H45C H 0.525482 0.965968 0.566845 0.064 Uiso 1 1 calc GR . . . .
C51 C 0.5004(2) 0.3874(5) 0.60465(16) 0.0261(14) Uani 1 1 d . . . . .
C52 C 0.5470(2) 0.3986(6) 0.59180(16) 0.0307(15) Uani 1 1 d . . . . .
H52 H 0.574229 0.341989 0.595103 0.037 Uiso 1 1 calc R . . . .
C53 C 0.5452(2) 0.5102(6) 0.57308(15) 0.0252(14) Uani 1 1 d . . . . .
C54 C 0.4840(3) 0.2812(6) 0.62586(18) 0.0374(16) Uani 1 1 d . . . . .
H54A H 0.467077 0.313672 0.644722 0.056 Uiso 1 1 calc GR . . . .
H54B H 0.513667 0.233460 0.635638 0.056 Uiso 1 1 calc GR . . . .
H54C H 0.460723 0.228038 0.610916 0.056 Uiso 1 1 calc GR . . . .
C55 C 0.5849(3) 0.5680(6) 0.55319(18) 0.0393(17) Uani 1 1 d . . . . .
H55A H 0.572907 0.565344 0.528233 0.059 Uiso 1 1 calc GR . . . .
H55B H 0.616511 0.521803 0.558093 0.059 Uiso 1 1 calc GR . . . .
H55C H 0.590615 0.653806 0.560529 0.059 Uiso 1 1 calc GR . . . .
C61 C 0.3535(2) 0.6136(6) 0.51433(15) 0.0266(14) Uani 1 1 d . . . . .
C62 C 0.3700(3) 0.6907(6) 0.48839(16) 0.0331(16) Uani 1 1 d . . . . .
H62 H 0.351509 0.711667 0.466562 0.040 Uiso 1 1 calc R . . . .
C63 C 0.4186(3) 0.7290(5) 0.50151(15) 0.0297(15) Uani 1 1 d . . . . .
C64 C 0.3048(2) 0.5400(6) 0.51228(16) 0.0327(15) Uani 1 1 d . . . . .
H64A H 0.310299 0.456851 0.503741 0.049 Uiso 1 1 calc GR . . . .
H64B H 0.278370 0.580987 0.496370 0.049 Uiso 1 1 calc GR . . . .
H64C H 0.294354 0.534799 0.535402 0.049 Uiso 1 1 calc GR . . . .
C65 C 0.4555(3) 0.8047(6) 0.48384(16) 0.0372(17) Uani 1 1 d . . . . .
H65A H 0.474490 0.859806 0.500847 0.056 Uiso 1 1 calc GR . . . .
H65B H 0.436896 0.853730 0.465137 0.056 Uiso 1 1 calc GR . . . .
H65C H 0.478935 0.749491 0.474151 0.056 Uiso 1 1 calc GR . . . .
C71 C 0.3301(3) 0.6997(6) 0.72096(16) 0.0313(15) Uani 1 1 d . . . . .
C72 C 0.3218(3) 0.7877(6) 0.74671(16) 0.0343(16) Uani 1 1 d . . . . .
H72 H 0.342138 0.800834 0.768389 0.041 Uiso 1 1 calc R . . . .
C73 C 0.2777(2) 0.8511(5) 0.73367(15) 0.0266(14) Uani 1 1 d . . . . .
C74 C 0.3725(2) 0.6041(6) 0.72276(16) 0.0343(16) Uani 1 1 d . . . . .
H74A H 0.361194 0.526666 0.732080 0.052 Uiso 1 1 calc GR . . . .
H74B H 0.402200 0.634611 0.737920 0.052 Uiso 1 1 calc GR . . . .
H74C H 0.381194 0.589975 0.699428 0.052 Uiso 1 1 calc GR . . . .
C75 C 0.2494(3) 0.9508(6) 0.75065(17) 0.0382(16) Uani 1 1 d . . . . .
H75A H 0.235096 1.010128 0.733007 0.057 Uiso 1 1 calc GR . . . .
H75B H 0.272818 0.993375 0.768361 0.057 Uiso 1 1 calc GR . . . .
H75C H 0.222267 0.913174 0.761513 0.057 Uiso 1 1 calc GR . . . .
C81 C 0.1670(2) 0.5059(6) 0.66444(16) 0.0287(14) Uani 1 1 d . . . . .
C82 C 0.1234(2) 0.5545(6) 0.67699(15) 0.0313(15) Uani 1 1 d . . . . .
H82 H 0.094191 0.510203 0.681050 0.038 Uiso 1 1 calc R . . . .
C83 C 0.1323(2) 0.6794(6) 0.68203(16) 0.0327(16) Uani 1 1 d . . . . .
C84 C 0.1774(3) 0.3723(6) 0.65534(17) 0.0383(17) Uani 1 1 d . . . . .
H84A H 0.169077 0.360317 0.630237 0.057 Uiso 1 1 calc GR . . . .
H84B H 0.156704 0.317258 0.667484 0.057 Uiso 1 1 calc GR . . . .
H84C H 0.213162 0.353651 0.662461 0.057 Uiso 1 1 calc GR . . . .
C85 C 0.0992(3) 0.7813(6) 0.69484(19) 0.0420(17) Uani 1 1 d . . . . .
H85A H 0.117809 0.821810 0.715212 0.063 Uiso 1 1 calc GR . . . .
H85B H 0.068237 0.744764 0.701100 0.063 Uiso 1 1 calc GR . . . .
H85C H 0.090595 0.842076 0.676348 0.063 Uiso 1 1 calc GR . . . .
C91 C 0.2533(2) 0.8465(5) 0.58939(15) 0.0266(14) Uani 1 1 d . . . . .
C92 C 0.2280(2) 0.9616(5) 0.58862(17) 0.0319(15) Uani 1 1 d . . . . .
H92 H 0.225338 1.020641 0.570456 0.038 Uiso 1 1 calc R . . . .
C93 C 0.2078(2) 0.9712(5) 0.61978(16) 0.0284(14) Uani 1 1 d . . . . .
C94 C 0.2803(2) 0.7880(6) 0.56157(16) 0.0335(16) Uani 1 1 d . . . . .
H94A H 0.309595 0.741638 0.572601 0.050 Uiso 1 1 calc GR . . . .
H94B H 0.291450 0.852557 0.546765 0.050 Uiso 1 1 calc GR . . . .
H94C H 0.257155 0.732065 0.547429 0.050 Uiso 1 1 calc GR . . . .
C95 C 0.1761(3) 1.0722(6) 0.63281(18) 0.0410(17) Uani 1 1 d . . . . .
H95A H 0.141651 1.042180 0.632966 0.062 Uiso 1 1 calc GR . . . .
H95B H 0.175604 1.143957 0.617488 0.062 Uiso 1 1 calc GR . . . .
H95C H 0.190681 1.095681 0.656403 0.062 Uiso 1 1 calc GR . . . .
B1 B 0.4791(3) 0.6920(6) 0.56123(18) 0.0251(16) Uani 1 1 d . . . . .
H1 H 0.505833 0.733021 0.549704 0.030 Uiso 1 1 calc R . . . .
B2 B 0.2105(3) 0.8283(6) 0.67595(18) 0.0270(16) Uani 1 1 d . . . . .
H2 H 0.190827 0.894873 0.685779 0.032 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
Rh1 P1 2.3063(16) . ?
Rh1 N1 2.188(5) . ?
Rh1 N3 2.364(5) . ?
Rh1 N5 2.395(5) . ?
Rh1 C1 1.740(6) . ?
Rh2 H 1.65(4) . ?
Rh2 N11 2.158(5) . ?
Rh2 N13 2.203(5) . ?
Rh2 N15 2.182(5) . ?
Rh2 C1 1.818(6) . ?
Rh2 C12 2.042(6) . ?
P1 C11 1.833(6) . ?
P1 C21 1.836(6) . ?
P1 C31 1.842(6) . ?
N1 N2 1.376(6) . ?
N1 C41 1.350(7) . ?
N2 C43 1.347(7) . ?
N2 B1 1.539(8) . ?
N3 N4 1.377(6) . ?
N3 C51 1.347(7) . ?
N4 C53 1.342(7) . ?
N4 B1 1.551(8) . ?
N5 N6 1.369(6) . ?
N5 C61 1.343(7) . ?
N6 C63 1.358(7) . ?
N6 B1 1.533(8) . ?
N11 N12 1.370(6) . ?
N11 C71 1.330(8) . ?
N12 C73 1.370(7) . ?
N12 B2 1.533(8) . ?
N13 N14 1.371(6) . ?
N13 C91 1.322(7) . ?
N14 C93 1.352(7) . ?
N14 B2 1.543(8) . ?
N15 N16 1.369(6) . ?
N15 C81 1.327(8) . ?
N16 C83 1.355(8) . ?
N16 B2 1.542(8) . ?
C11 C12 1.419(8) . ?
C11 C16 1.410(8) . ?
C12 C13 1.394(8) . ?
C13 H13 0.9300 . ?
C13 C14 1.386(8) . ?
C14 H14 0.9300 . ?
C14 C15 1.377(9) . ?
C15 H15 0.9300 . ?
C15 C16 1.384(8) . ?
C16 H16 0.9300 . ?
C21 C22 1.392(8) . ?
C21 C26 1.381(8) . ?
C22 H22 0.9300 . ?
C22 C23 1.377(8) . ?
C23 H23 0.9300 . ?
C23 C24 1.393(9) . ?
C24 H24 0.9300 . ?
C24 C25 1.371(9) . ?
C25 H25 0.9300 . ?
C25 C26 1.395(8) . ?
C26 H26 0.9300 . ?
C31 C32 1.394(8) . ?
C31 C36 1.388(8) . ?
C32 H32 0.9300 . ?
C32 C33 1.388(8) . ?
C33 H33 0.9300 . ?
C33 C34 1.363(9) . ?
C34 H34 0.9300 . ?
C34 C35 1.367(9) . ?
C35 H35 0.9300 . ?
C35 C36 1.385(8) . ?
C36 H36 0.9300 . ?
C41 C42 1.387(8) . ?
C41 C44 1.486(8) . ?
C42 H42 0.9300 . ?
C42 C43 1.364(8) . ?
C43 C45 1.503(9) . ?
C44 H44A 0.9600 . ?
C44 H44B 0.9600 . ?
C44 H44C 0.9600 . ?
C45 H45A 0.9600 . ?
C45 H45B 0.9600 . ?
C45 H45C 0.9600 . ?
C51 C52 1.382(8) . ?
C51 C54 1.486(8) . ?
C52 H52 0.9300 . ?
C52 C53 1.382(8) . ?
C53 C55 1.502(8) . ?
C54 H54A 0.9600 . ?
C54 H54B 0.9600 . ?
C54 H54C 0.9600 . ?
C55 H55A 0.9600 . ?
C55 H55B 0.9600 . ?
C55 H55C 0.9600 . ?
C61 C62 1.398(8) . ?
C61 C64 1.491(8) . ?
C62 H62 0.9300 . ?
C62 C63 1.366(9) . ?
C63 C65 1.490(9) . ?
C64 H64A 0.9600 . ?
C64 H64B 0.9600 . ?
C64 H64C 0.9600 . ?
C65 H65A 0.9600 . ?
C65 H65B 0.9600 . ?
C65 H65C 0.9600 . ?
C71 C72 1.395(8) . ?
C71 C74 1.501(9) . ?
C72 H72 0.9300 . ?
C72 C73 1.372(9) . ?
C73 C75 1.492(8) . ?
C74 H74A 0.9600 . ?
C74 H74B 0.9600 . ?
C74 H74C 0.9600 . ?
C75 H75A 0.9600 . ?
C75 H75B 0.9600 . ?
C75 H75C 0.9600 . ?
C81 C82 1.398(8) . ?
C81 C84 1.497(8) . ?
C82 H82 0.9300 . ?
C82 C83 1.357(9) . ?
C83 C85 1.510(9) . ?
C84 H84A 0.9600 . ?
C84 H84B 0.9600 . ?
C84 H84C 0.9600 . ?
C85 H85A 0.9600 . ?
C85 H85B 0.9600 . ?
C85 H85C 0.9600 . ?
C91 C92 1.390(8) . ?
C91 C94 1.490(8) . ?
C92 H92 0.9300 . ?
C92 C93 1.369(9) . ?
C93 C95 1.485(8) . ?
C94 H94A 0.9600 . ?
C94 H94B 0.9600 . ?
C94 H94C 0.9600 . ?
C95 H95A 0.9600 . ?
C95 H95B 0.9600 . ?
C95 H95C 0.9600 . ?
B1 H1 0.9800 . ?
B2 H2 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
P1 Rh1 N3 99.07(12) . . ?
P1 Rh1 N5 103.70(12) . . ?
N1 Rh1 P1 172.90(13) . . ?
N1 Rh1 N3 84.62(17) . . ?
N1 Rh1 N5 82.98(16) . . ?
N3 Rh1 N5 77.45(16) . . ?
C1 Rh1 P1 76.57(18) . . ?
C1 Rh1 N1 97.6(2) . . ?
C1 Rh1 N3 156.8(2) . . ?
C1 Rh1 N5 125.7(2) . . ?
N11 Rh2 H 93(2) . . ?
N11 Rh2 N13 86.96(18) . . ?
N11 Rh2 N15 81.08(18) . . ?
N13 Rh2 H 174(2) . . ?
N15 Rh2 H 88(2) . . ?
N15 Rh2 N13 86.06(18) . . ?
C1 Rh2 H 87(2) . . ?
C1 Rh2 N11 104.1(2) . . ?
C1 Rh2 N13 99.0(2) . . ?
C1 Rh2 N15 172.9(2) . . ?
C1 Rh2 C12 84.2(2) . . ?
C12 Rh2 H 84(2) . . ?
C12 Rh2 N11 171.0(2) . . ?
C12 Rh2 N13 95.4(2) . . ?
C12 Rh2 N15 90.4(2) . . ?
C11 P1 Rh1 110.49(19) . . ?
C11 P1 C21 103.8(3) . . ?
C11 P1 C31 105.9(3) . . ?
C21 P1 Rh1 116.76(19) . . ?
C21 P1 C31 103.4(3) . . ?
C31 P1 Rh1 115.4(2) . . ?
N2 N1 Rh1 120.1(3) . . ?
C41 N1 Rh1 133.2(4) . . ?
C41 N1 N2 106.0(5) . . ?
N1 N2 B1 121.5(5) . . ?
C43 N2 N1 109.5(5) . . ?
C43 N2 B1 128.9(5) . . ?
N4 N3 Rh1 117.3(3) . . ?
C51 N3 Rh1 137.7(4) . . ?
C51 N3 N4 105.0(5) . . ?
N3 N4 B1 121.0(5) . . ?
C53 N4 N3 111.5(5) . . ?
C53 N4 B1 127.3(5) . . ?
N6 N5 Rh1 116.8(3) . . ?
C61 N5 Rh1 133.6(4) . . ?
C61 N5 N6 105.9(4) . . ?
N5 N6 B1 119.8(4) . . ?
C63 N6 N5 110.5(5) . . ?
C63 N6 B1 129.7(5) . . ?
N12 N11 Rh2 118.8(3) . . ?
C71 N11 Rh2 133.7(4) . . ?
C71 N11 N12 107.5(5) . . ?
N11 N12 C73 108.9(5) . . ?
N11 N12 B2 120.4(5) . . ?
C73 N12 B2 130.0(5) . . ?
N14 N13 Rh2 117.4(3) . . ?
C91 N13 Rh2 135.5(4) . . ?
C91 N13 N14 107.0(5) . . ?
N13 N14 B2 120.9(5) . . ?
C93 N14 N13 109.7(5) . . ?
C93 N14 B2 129.3(5) . . ?
N16 N15 Rh2 118.6(4) . . ?
C81 N15 Rh2 135.0(4) . . ?
C81 N15 N16 106.4(5) . . ?
N15 N16 B2 119.9(5) . . ?
C83 N16 N15 109.8(5) . . ?
C83 N16 B2 130.1(5) . . ?
Rh1 C1 Rh2 165.9(3) . . ?
C12 C11 P1 119.4(4) . . ?
C16 C11 P1 119.0(4) . . ?
C16 C11 C12 121.2(5) . . ?
C11 C12 Rh2 125.5(4) . . ?
C13 C12 Rh2 118.2(4) . . ?
C13 C12 C11 116.0(5) . . ?
C12 C13 H13 118.5 . . ?
C14 C13 C12 123.1(6) . . ?
C14 C13 H13 118.5 . . ?
C13 C14 H14 120.1 . . ?
C15 C14 C13 119.7(6) . . ?
C15 C14 H14 120.1 . . ?
C14 C15 H15 119.9 . . ?
C14 C15 C16 120.2(6) . . ?
C16 C15 H15 119.9 . . ?
C11 C16 H16 120.2 . . ?
C15 C16 C11 119.6(6) . . ?
C15 C16 H16 120.2 . . ?
C22 C21 P1 120.6(4) . . ?
C26 C21 P1 120.2(5) . . ?
C26 C21 C22 119.2(5) . . ?
C21 C22 H22 119.6 . . ?
C23 C22 C21 120.9(6) . . ?
C23 C22 H22 119.6 . . ?
C22 C23 H23 120.2 . . ?
C22 C23 C24 119.6(6) . . ?
C24 C23 H23 120.2 . . ?
C23 C24 H24 120.1 . . ?
C25 C24 C23 119.9(6) . . ?
C25 C24 H24 120.1 . . ?
C24 C25 H25 119.8 . . ?
C24 C25 C26 120.4(6) . . ?
C26 C25 H25 119.8 . . ?
C21 C26 C25 120.0(6) . . ?
C21 C26 H26 120.0 . . ?
C25 C26 H26 120.0 . . ?
C32 C31 P1 117.5(4) . . ?
C36 C31 P1 122.7(5) . . ?
C36 C31 C32 119.7(5) . . ?
C31 C32 H32 120.4 . . ?
C33 C32 C31 119.2(6) . . ?
C33 C32 H32 120.4 . . ?
C32 C33 H33 119.9 . . ?
C34 C33 C32 120.3(6) . . ?
C34 C33 H33 119.9 . . ?
C33 C34 H34 119.5 . . ?
C33 C34 C35 121.0(6) . . ?
C35 C34 H34 119.5 . . ?
C34 C35 H35 120.1 . . ?
C34 C35 C36 119.9(6) . . ?
C36 C35 H35 120.1 . . ?
C31 C36 H36 120.1 . . ?
C35 C36 C31 119.8(6) . . ?
C35 C36 H36 120.1 . . ?
N1 C41 C42 109.9(5) . . ?
N1 C41 C44 123.0(5) . . ?
C42 C41 C44 127.2(5) . . ?
C41 C42 H42 127.0 . . ?
C43 C42 C41 106.1(5) . . ?
C43 C42 H42 127.0 . . ?
N2 C43 C42 108.6(5) . . ?
N2 C43 C45 122.6(6) . . ?
C42 C43 C45 128.9(6) . . ?
C41 C44 H44A 109.5 . . ?
C41 C44 H44B 109.5 . . ?
C41 C44 H44C 109.5 . . ?
H44A C44 H44B 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C43 C45 H45A 109.5 . . ?
C43 C45 H45B 109.5 . . ?
C43 C45 H45C 109.5 . . ?
H45A C45 H45B 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
N3 C51 C52 110.2(5) . . ?
N3 C51 C54 123.3(5) . . ?
C52 C51 C54 126.5(5) . . ?
C51 C52 H52 126.6 . . ?
C51 C52 C53 106.8(5) . . ?
C53 C52 H52 126.6 . . ?
N4 C53 C52 106.5(5) . . ?
N4 C53 C55 124.1(5) . . ?
C52 C53 C55 129.4(6) . . ?
C51 C54 H54A 109.5 . . ?
C51 C54 H54B 109.5 . . ?
C51 C54 H54C 109.5 . . ?
H54A C54 H54B 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
C53 C55 H55A 109.5 . . ?
C53 C55 H55B 109.5 . . ?
C53 C55 H55C 109.5 . . ?
H55A C55 H55B 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?
N5 C61 C62 110.0(5) . . ?
N5 C61 C64 121.8(5) . . ?
C62 C61 C64 128.1(5) . . ?
C61 C62 H62 126.9 . . ?
C63 C62 C61 106.3(5) . . ?
C63 C62 H62 126.9 . . ?
N6 C63 C62 107.4(5) . . ?
N6 C63 C65 123.6(6) . . ?
C62 C63 C65 128.9(6) . . ?
C61 C64 H64A 109.5 . . ?
C61 C64 H64B 109.5 . . ?
C61 C64 H64C 109.5 . . ?
H64A C64 H64B 109.5 . . ?
H64A C64 H64C 109.5 . . ?
H64B C64 H64C 109.5 . . ?
C63 C65 H65A 109.5 . . ?
C63 C65 H65B 109.5 . . ?
C63 C65 H65C 109.5 . . ?
H65A C65 H65B 109.5 . . ?
H65A C65 H65C 109.5 . . ?
H65B C65 H65C 109.5 . . ?
N11 C71 C72 109.7(6) . . ?
N11 C71 C74 122.8(5) . . ?
C72 C71 C74 127.5(6) . . ?
C71 C72 H72 126.9 . . ?
C73 C72 C71 106.3(5) . . ?
C73 C72 H72 126.9 . . ?
N12 C73 C72 107.6(5) . . ?
N12 C73 C75 122.8(6) . . ?
C72 C73 C75 129.5(5) . . ?
C71 C74 H74A 109.5 . . ?
C71 C74 H74B 109.5 . . ?
C71 C74 H74C 109.5 . . ?
H74A C74 H74B 109.5 . . ?
H74A C74 H74C 109.5 . . ?
H74B C74 H74C 109.5 . . ?
C73 C75 H75A 109.5 . . ?
C73 C75 H75B 109.5 . . ?
C73 C75 H75C 109.5 . . ?
H75A C75 H75B 109.5 . . ?
H75A C75 H75C 109.5 . . ?
H75B C75 H75C 109.5 . . ?
N15 C81 C82 110.0(5) . . ?
N15 C81 C84 122.1(5) . . ?
C82 C81 C84 127.9(6) . . ?
C81 C82 H82 126.9 . . ?
C83 C82 C81 106.1(6) . . ?
C83 C82 H82 126.9 . . ?
N16 C83 C82 107.8(5) . . ?
N16 C83 C85 121.5(6) . . ?
C82 C83 C85 130.8(6) . . ?
C81 C84 H84A 109.5 . . ?
C81 C84 H84B 109.5 . . ?
C81 C84 H84C 109.5 . . ?
H84A C84 H84B 109.5 . . ?
H84A C84 H84C 109.5 . . ?
H84B C84 H84C 109.5 . . ?
C83 C85 H85A 109.5 . . ?
C83 C85 H85B 109.5 . . ?
C83 C85 H85C 109.5 . . ?
H85A C85 H85B 109.5 . . ?
H85A C85 H85C 109.5 . . ?
H85B C85 H85C 109.5 . . ?
N13 C91 C92 109.5(5) . . ?
N13 C91 C94 121.8(5) . . ?
C92 C91 C94 128.7(5) . . ?
C91 C92 H92 126.6 . . ?
C93 C92 C91 106.7(5) . . ?
C93 C92 H92 126.6 . . ?
N14 C93 C92 107.0(5) . . ?
N14 C93 C95 122.8(6) . . ?
C92 C93 C95 130.2(6) . . ?
C91 C94 H94A 109.5 . . ?
C91 C94 H94B 109.5 . . ?
C91 C94 H94C 109.5 . . ?
H94A C94 H94B 109.5 . . ?
H94A C94 H94C 109.5 . . ?
H94B C94 H94C 109.5 . . ?
C93 C95 H95A 109.5 . . ?
C93 C95 H95B 109.5 . . ?
C93 C95 H95C 109.5 . . ?
H95A C95 H95B 109.5 . . ?
H95A C95 H95C 109.5 . . ?
H95B C95 H95C 109.5 . . ?
N2 B1 N4 109.1(5) . . ?
N2 B1 H1 109.0 . . ?
N4 B1 H1 109.0 . . ?
N6 B1 N2 110.2(5) . . ?
N6 B1 N4 110.6(5) . . ?
N6 B1 H1 109.0 . . ?
N12 B2 N14 110.1(5) . . ?
N12 B2 N16 107.9(5) . . ?
N12 B2 H2 110.0 . . ?
N14 B2 H2 110.0 . . ?
N16 B2 N14 108.9(5) . . ?
N16 B2 H2 110.0 . . ?


_ins_header                      
;
TITL HB_47-7_scale in Cc 
REM Cc (#9 in standard setting)
CELL 0.71073  26.228388  10.633546  38.113193  90.0000  97.9481  90.0000
ZERR    8.00   0.001040   0.000361   0.001337   0.0000   0.0036   0.0000
LATT -7
SYMM  x,-y, z+1/2 
SFAC C H B N P Rh
UNIT 392.00 472.00 16.00 96.00 8.00 16.00
TREF
HKLF 4
END
;
_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 1.030
_oxdiff_exptl_absorpt_empirical_full_min 0.956
####################################################################### 
# 
# 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_hb_67-3_scale
_database_code_depnum_ccdc_archive 'CCDC 1834292'
_audit_update_record             
;
2018-04-03 deposited with the CCDC.
2018-06-26 downloaded from the CCDC.
;
_audit_creation_date             2017-09-09
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.08.10 svn.r3458 for OlexSys, GUI svn.r5381)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C49 H46 B2 N8 P2 Rh2, 1.25(C H2 Cl2)'
_chemical_formula_sum            'C50.25 H48.50 B2 Cl2.50 N8 P2 Rh2'
_chemical_formula_weight         1142.47
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 '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'
N N 0.0061 0.0033 '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'
Rh Rh -1.1178 0.9187 '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           13
_space_group_name_H-M_alt        'P 1 2/c 1'
_space_group_name_Hall           '-P 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'

_cell_length_a                   23.9780(5)
_cell_length_b                   18.6930(2)
_cell_length_c                   23.8266(4)
_cell_angle_alpha                90
_cell_angle_beta                 97.097(2)
_cell_angle_gamma                90
_cell_volume                     10597.8(3)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    51883
_cell_measurement_temperature    150.00(10)
_cell_measurement_theta_max      29.4200
_cell_measurement_theta_min      3.4440
_shelx_estimated_absorpt_T_max   0.870
_shelx_estimated_absorpt_T_min   0.610
_exptl_absorpt_coefficient_mu    0.851
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.90873
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.46 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.432
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             4628
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
0 0 33 0.0669
0 0 -33 0.1127
5 26 -1 0.3627
-4 -21 19 0.1700
-33 -1 -3 0.0590
33 -1 3 0.0939
-17 -23 -1 0.1925
-17 -21 14 0.1401
25 4 -25 0.1627
-24 6 25 0.1195
34 0 -4 0.0909

_exptl_crystal_size_max          0.645
_exptl_crystal_size_mid          0.180
_exptl_crystal_size_min          0.169
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
-0.0373 -0.0040 32.9887 -0.6745 -0.7234 -0.0172
0.0373 0.0040 -32.9887 0.6745 0.7234 0.0172
5.0028 25.9924 -0.9874 0.0145 0.0265 -0.9969
-4.0229 -20.9961 18.9836 -0.3844 -0.4195 0.7956
-32.9896 -1.0079 -2.9878 0.8441 -0.5043 0.1789
32.9894 -0.9914 2.9868 -0.8528 0.5107 -0.1038
-16.9977 -22.9963 -1.0061 0.3257 -0.2006 0.9362
-17.0144 -20.9988 13.9899 0.0278 -0.5357 0.8533
25.0233 4.0082 -24.9981 -0.0679 0.9696 -0.2431
-24.0224 5.9886 25.0032 0.0876 -0.9839 -0.1366
33.9972 0.0093 -4.0107 -0.7292 0.6783 -0.1420

_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0624
_diffrn_reflns_av_unetI/netI     0.0364
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            171095
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.372
_diffrn_reflns_theta_min         3.265
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      150.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.3744
_diffrn_detector_type            Atlas
_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    -20.00  30.00   1.00   50.00    --  -11.22 -99.00-180.00   50
  2  ω    -39.00  62.00   1.00   50.00    --  -11.22  57.00 -30.00  101
  3  ω    -83.00  17.00   1.00   50.00    --  -11.22 -57.00-180.00  100
  4  ω    -20.00  30.00   1.00   50.00    --  -11.22 -99.00 -30.00   50
  5  ω    -36.00  63.00   1.00   50.00    --  -11.22  37.00  90.00   99
  6  ω    -44.00  65.00   1.00   50.00    --  -11.22  77.00 -30.00  109
  7  ω     34.00  98.00   1.00   50.00    --   11.30-178.00-150.00   64
  8  ω    -20.00  27.00   1.00   50.00    --   11.30 -99.00-120.00   47
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'New Xcalibur, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0238650000
_diffrn_orient_matrix_UB_12      0.0043717000
_diffrn_orient_matrix_UB_13      -0.0204720000
_diffrn_orient_matrix_UB_21      0.0173687000
_diffrn_orient_matrix_UB_22      -0.0031570000
_diffrn_orient_matrix_UB_23      -0.0219089000
_diffrn_orient_matrix_UB_31      -0.0042277000
_diffrn_orient_matrix_UB_32      -0.0375618000
_diffrn_orient_matrix_UB_33      -0.0005299000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                17224
_reflns_number_total             21633
_reflns_odcompleteness_completeness 99.76
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_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 1.171.38.46 (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_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         2.640
_refine_diff_density_min         -1.499
_refine_diff_density_rms         0.165
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.116
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1185
_refine_ls_number_reflns         21633
_refine_ls_number_restraints     269
_refine_ls_R_factor_all          0.1103
_refine_ls_R_factor_gt           0.0865
_refine_ls_restrained_S_all      1.131
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0615P)²+148.0331P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2064
_refine_ls_wR_factor_ref         0.2265
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All B(H,H) groups, All C(H) groups, All C(H,H) groups
2. Restrained distances
 C201-Cl2
 1.6 with sigma of 0.04
 Cl32-C204
 1.6 with sigma of 0.03
3. Rigid bond restraints
 C64, C62, C61, C66, C65, C63
 with sigma for 1-2 distances of 0.005 and sigma for 1-3 distances of 0.005
 C106, C101, C102, C103, C104, C105
 with sigma for 1-2 distances of 0.005 and sigma for 1-3 distances of 0.005
 C116, C111, C112
 with sigma for 1-2 distances of 0.005 and sigma for 1-3 distances of 0.005
 C151, C156, C155, C154, C153, C152
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 C132, C136, C133, C134, C135, C131
 with sigma for 1-2 distances of 0.005 and sigma for 1-3 distances of 0.005
4. Uiso/Uaniso restraints and constraints
C64 \\sim C65 \\sim C66 \\sim C61 \\sim C62 \\sim C63: within 1.7A with sigma
of 0.02 and sigma for terminal atoms of 0.04
Cl1 \\sim Cl2 \\sim C201: within 1.7A with sigma of 0.01 and sigma for terminal
atoms of 0.02
Cl31 \\sim C204 \\sim Cl32: within 1.7A with sigma of 0.02 and sigma for
terminal atoms of 0.04
Uanis(C106) \\sim Ueq, Uanis(C105) \\sim Ueq, Uanis(C104) \\sim Ueq: with sigma
of 0.02 and sigma for terminal atoms of 0.04
Uanis(C116) \\sim Ueq, Uanis(C112) \\sim Ueq: with sigma of 0.02 and sigma for
terminal atoms of 0.05
Uanis(C114) \\sim Ueq, Uanis(C113) \\sim Ueq, Uanis(C115) \\sim Ueq: with sigma
of 0.01 and sigma for terminal atoms of 0.02
Uanis(C201) \\sim Ueq, Uanis(Cl2) \\sim Ueq, Uanis(Cl1) \\sim Ueq: with sigma
of 0.02 and sigma for terminal atoms of 0.04
Uanis(C131) \\sim Ueq, Uanis(C136) \\sim Ueq, Uanis(C135) \\sim Ueq,
Uanis(C134) \\sim Ueq, Uanis(C133) \\sim Ueq, Uanis(C132) \\sim Ueq: with sigma
of 0.01 and sigma for terminal atoms of 0.02
Uanis(Cl31) \\sim Ueq, Uanis(Cl32) \\sim Ueq, Uanis(C204) \\sim Ueq, : with
sigma of 0.05 and sigma for terminal atoms of 0.1
5. Rigid body (RIGU) restrains
 Cl1, Cl2, C201
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 C153, C152, C151, C156, C155, C154
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 Cl32, C204, Cl31, H20C, H20D
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
6. Others
 Fixed Sof: Cl32(0.5) Cl31(0.5) C204(0.5) H20C(0.5) H20D(0.5) Cl2(0.5)
 Cl1(0.5) C201(0.5) H20E(0.5) H20F(0.5) Cl21(0.5) Cl22(0.5) C203(0.5) H20G(0.5)
 H20H(0.5)
7.a Secondary CH2 refined with riding coordinates:
 B1(H1A,H1B), B2(H2A,H2B), B3(H3A,H3B), B4(H4A,H4B), C204(H20C,H20D),
 C202(H20A,H20B), C201(H20E,H20F), C203(H20G,H20H)
7.b Aromatic/amide H refined with riding coordinates:
 C5(H5), C41(H41), C121(H121), C12(H12), C122(H122), C42(H42), C81(H81),
 C43(H43), C8AA(H8AA), C16(H16), C3AA(H3AA), C36(H36), C83(H83), C46(H46),
 C6(H6), C92(H92), C86(H86), C93(H93), C72(H72), C82(H82), C123(H123),
 C4AA(H4AA), C84(H84), C22(H22), C94(H94), C85(H85), C7(H7), C96(H96), C44(H44),
  C26(H26), C13(H13), C15(H15), C52(H52), C14(H14), C45(H45), C34(H34),
 C56(H56), C33(H33), C32(H32), C125(H125), C25(H25), C95(H95), C73(H73),
 C124(H124), C35(H35), C24(H24), C126(H126), C23(H23), C54(H54), C74(H74),
 C142(H142), C76(H76), C55(H55), C146(H146), C145(H145), C53(H53), C75(H75),
 C144(H144), C143(H143), C155(H155), C154(H154), C153(H153), C152(H152),
 C156(H156), C105(H105), C106(H106), C102(H102), C103(H103), C104(H104),
 C63(H63), C64(H64), C65(H65), C66(H66), C62(H62), C113(H113), C114(H114),
 C115(H115), C116(H116), C112(H112), C134(H134), C133(H133), C132(H132),
 C136(H136), C135(H135)
7.c Fitted hexagon refined as free rotating group:
 C155(C154,C153,C152,C151,C156), C105(C106,C101,C102,C103,C104), C63(C64,C65,
 C66,C61,C62), C113(C114,C115,C116,C111,C112), C134(C133,C132,C131,C136,C135)
;
_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
Rh3 Rh 0.51113(2) -0.20823(3) 0.32424(2) 0.02727(14) Uani 1 1 d . . . . .
Rh1 Rh 0.42721(2) -0.15450(3) 0.75407(2) 0.02632(14) Uani 1 1 d . . . . .
Rh2 Rh 0.07371(3) -0.52319(3) 0.26459(3) 0.02873(15) Uani 1 1 d . . . . .
Rh4 Rh 0.00509(3) -0.16161(3) 0.17722(3) 0.03853(18) Uani 1 1 d . . . . .
P1 P 0.40867(9) -0.23178(10) 0.68079(9) 0.0307(4) Uani 1 1 d . . . . .
P3 P 0.43873(9) -0.28312(12) 0.33449(9) 0.0355(5) Uani 1 1 d . . . . .
P2 P 0.07228(10) -0.59653(11) 0.34023(10) 0.0385(5) Uani 1 1 d . . . . .
P4 P 0.08089(16) -0.08784(12) 0.18871(11) 0.0607(9) Uani 1 1 d . . . . .
N3 N 0.4443(3) -0.0811(3) 0.8213(3) 0.0322(14) Uani 1 1 d . . . . .
N21 N 0.5766(3) -0.1356(3) 0.3151(3) 0.0319(14) Uani 1 1 d . . . . .
N12 N 0.0710(3) -0.4474(3) 0.1985(3) 0.0325(14) Uani 1 1 d . . . . .
N31 N -0.0622(3) -0.2354(3) 0.1706(3) 0.0351(15) Uani 1 1 d . . . . .
N1 N 0.3375(3) -0.1321(3) 0.7560(3) 0.0332(14) Uani 1 1 d . . . . .
N4 N 0.4086(3) -0.0674(4) 0.8606(3) 0.0347(15) Uani 1 1 d . . . . .
N33 N 0.0115(4) -0.1813(4) 0.0884(3) 0.049(2) Uani 1 1 d . . . . .
N2 N 0.3185(3) -0.1056(4) 0.8032(3) 0.0382(16) Uani 1 1 d . . . . .
N24 N 0.5772(3) -0.1675(4) 0.4409(3) 0.0451(18) Uani 1 1 d . . . . .
C1 C 0.500000 -0.1635(5) 0.750000 0.028(2) Uani 1 2 d S T P . .
N14 N 0.1643(3) -0.5017(4) 0.2829(3) 0.0417(17) Uani 1 1 d . . . . .
N22 N 0.6203(3) -0.1229(4) 0.3576(3) 0.0428(17) Uani 1 1 d . . . . .
C3 C 0.500000 -0.2175(5) 0.250000 0.027(2) Uani 1 2 d S T P . .
N13 N 0.1150(3) -0.4283(4) 0.1706(3) 0.0397(16) Uani 1 1 d . . . . .
N32 N -0.0959(4) -0.2514(4) 0.1221(3) 0.0459(18) Uani 1 1 d . . . . .
N23 N 0.5252(3) -0.1855(4) 0.4149(3) 0.0384(16) Uani 1 1 d . . . . .
C2 C 0.000000 -0.5313(5) 0.250000 0.025(2) Uani 1 2 d S T P . .
N15 N 0.1933(3) -0.4702(4) 0.2436(4) 0.0472(19) Uani 1 1 d . . . . .
C11 C 0.4621(4) -0.2955(4) 0.6639(3) 0.0352(17) Uani 1 1 d . . . . .
C5 C 0.4883(3) -0.0369(4) 0.8325(4) 0.0342(17) Uani 1 1 d . . . . .
H5 H 0.518981 -0.035008 0.812286 0.041 Uiso 1 1 calc R . . . .
C41 C 0.0285(3) -0.4031(4) 0.1793(3) 0.0314(16) Uani 1 1 d . . . . .
H41 H -0.007007 -0.403733 0.191107 0.038 Uiso 1 1 calc R . . . .
C121 C -0.0784(4) -0.2790(4) 0.2104(4) 0.0389(19) Uani 1 1 d . . . . .
H121 H -0.062546 -0.279586 0.248067 0.047 Uiso 1 1 calc R . . . .
N34 N -0.0307(4) -0.2118(4) 0.0526(3) 0.054(2) Uani 1 1 d . . . . .
C4 C 0.000000 -0.1538(5) 0.250000 0.032(2) Uani 1 2 d S T P . .
C12 C 0.4576(4) -0.3680(5) 0.6752(4) 0.046(2) Uani 1 1 d . . . . .
H12 H 0.427089 -0.385111 0.691903 0.055 Uiso 1 1 calc R . . . .
C122 C -0.1218(4) -0.3227(5) 0.1879(4) 0.045(2) Uani 1 1 d . . . . .
H122 H -0.140475 -0.357338 0.206510 0.054 Uiso 1 1 calc R . . . .
C42 C 0.0455(4) -0.3565(4) 0.1393(3) 0.0374(18) Uani 1 1 d . . . . .
H42 H 0.024482 -0.320689 0.119562 0.045 Uiso 1 1 calc R . . . .
C81 C 0.5798(3) -0.0858(4) 0.2759(4) 0.0368(18) Uani 1 1 d . . . . .
H81 H 0.555162 -0.081418 0.242737 0.044 Uiso 1 1 calc R . . . .
C21 C 0.3491(4) -0.2892(4) 0.6929(4) 0.0373(18) Uani 1 1 d . . . . .
C43 C 0.0994(4) -0.3746(5) 0.1354(4) 0.046(2) Uani 1 1 d . . . . .
H43 H 0.122219 -0.352858 0.111600 0.055 Uiso 1 1 calc R . . . .
C8AA C 0.2951(4) -0.1257(5) 0.7143(4) 0.0410(19) Uani 1 1 d . . . . .
H8AA H 0.296668 -0.139048 0.676914 0.049 Uiso 1 1 calc R . . . .
C91 C 0.4142(4) -0.3489(5) 0.2795(4) 0.0369(18) Uani 1 1 d . . . . .
C16 C 0.5083(4) -0.2703(5) 0.6398(4) 0.0403(19) Uani 1 1 d . . . . .
H16 H 0.511911 -0.221531 0.633333 0.048 Uiso 1 1 calc R . . . .
C3AA C 0.2646(4) -0.0848(5) 0.7904(4) 0.049(2) Uani 1 1 d . . . . .
H3AA H 0.242084 -0.065635 0.815793 0.059 Uiso 1 1 calc R . . . .
C31 C 0.3896(4) -0.1884(5) 0.6118(3) 0.0377(18) Uani 1 1 d . . . . .
C36 C 0.3853(4) -0.1142(4) 0.6100(4) 0.0371(18) Uani 1 1 d . . . . .
H36 H 0.392285 -0.087718 0.643194 0.045 Uiso 1 1 calc R . . . .
C83 C 0.6492(4) -0.0662(5) 0.3429(5) 0.049(2) Uani 1 1 d . . . . .
H83 H 0.680644 -0.046883 0.364333 0.059 Uiso 1 1 calc R . . . .
C46 C 0.2435(4) -0.4494(6) 0.2691(6) 0.061(3) Uani 1 1 d . . . . .
H46 H 0.271310 -0.427249 0.251312 0.074 Uiso 1 1 calc R . . . .
C6 C 0.4812(4) 0.0058(5) 0.8789(4) 0.045(2) Uani 1 1 d . . . . .
H6 H 0.505315 0.041065 0.895277 0.054 Uiso 1 1 calc R . . . .
C92 C 0.3917(4) -0.3255(5) 0.2267(4) 0.044(2) Uani 1 1 d . . . . .
H92 H 0.390161 -0.276813 0.218721 0.053 Uiso 1 1 calc R . . . .
C86 C 0.5737(5) -0.1480(6) 0.4952(4) 0.057(3) Uani 1 1 d . . . . .
H86 H 0.603566 -0.134483 0.521764 0.068 Uiso 1 1 calc R . . . .
C93 C 0.3715(4) -0.3737(6) 0.1859(4) 0.052(2) Uani 1 1 d . . . . .
H93 H 0.355172 -0.357153 0.150889 0.062 Uiso 1 1 calc R . . . .
C72 C 0.0867(4) -0.4758(5) 0.4092(4) 0.044(2) Uani 1 1 d . . . . .
H72 H 0.095582 -0.453023 0.376785 0.052 Uiso 1 1 calc R . . . .
C82 C 0.6257(4) -0.0409(5) 0.2919(5) 0.051(2) Uani 1 1 d . . . . .
H82 H 0.637533 -0.002149 0.271931 0.061 Uiso 1 1 calc R . . . .
C123 C -0.1313(4) -0.3039(5) 0.1323(4) 0.049(2) Uani 1 1 d . . . . .
H123 H -0.158147 -0.324289 0.105531 0.058 Uiso 1 1 calc R . . . .
C4AA C 0.2484(4) -0.0964(5) 0.7347(5) 0.050(2) Uani 1 1 d . . . . .
H4AA H 0.213490 -0.086702 0.714441 0.061 Uiso 1 1 calc R . . . .
C84 C 0.4897(4) -0.1757(5) 0.4524(4) 0.044(2) Uani 1 1 d . . . . .
H84 H 0.451134 -0.183271 0.445926 0.053 Uiso 1 1 calc R . . . .
C22 C 0.3059(5) -0.3083(6) 0.6529(5) 0.060(3) Uani 1 1 d . . . . .
H22 H 0.305825 -0.293478 0.615641 0.072 Uiso 1 1 calc R . . . .
C71 C 0.0728(4) -0.5478(5) 0.4073(4) 0.047(2) Uani 1 1 d . . . . .
C94 C 0.3748(4) -0.4463(5) 0.1959(4) 0.051(2) Uani 1 1 d . . . . .
H94 H 0.362175 -0.478807 0.167580 0.061 Uiso 1 1 calc R . . . .
C85 C 0.5195(5) -0.1517(5) 0.5037(4) 0.051(2) Uani 1 1 d . . . . .
H85 H 0.504597 -0.140715 0.536895 0.061 Uiso 1 1 calc R . . . .
C7 C 0.4309(4) -0.0152(5) 0.8953(4) 0.045(2) Uani 1 1 d . . . . .
H7 H 0.414676 0.003564 0.925669 0.054 Uiso 1 1 calc R . . . .
C96 C 0.4178(4) -0.4215(5) 0.2905(4) 0.050(2) Uani 1 1 d . . . . .
H96 H 0.433742 -0.438237 0.325570 0.060 Uiso 1 1 calc R . . . .
C44 C 0.1976(4) -0.4978(5) 0.3323(5) 0.051(2) Uani 1 1 d . . . . .
H44 H 0.187832 -0.514546 0.366513 0.061 Uiso 1 1 calc R . . . .
C51 C 0.0126(4) -0.6567(4) 0.3432(4) 0.044(2) Uani 1 1 d . . . . .
C26 C 0.3492(4) -0.3124(5) 0.7484(4) 0.050(2) Uani 1 1 d . . . . .
H26 H 0.378085 -0.298783 0.776087 0.059 Uiso 1 1 calc R . . . .
C13 C 0.4992(5) -0.4153(5) 0.6615(5) 0.057(3) Uani 1 1 d . . . . .
H13 H 0.496067 -0.463984 0.668696 0.069 Uiso 1 1 calc R . . . .
C15 C 0.5491(4) -0.3170(5) 0.6253(4) 0.049(2) Uani 1 1 d . . . . .
H15 H 0.579168 -0.300317 0.607879 0.059 Uiso 1 1 calc R . . . .
C52 C -0.0396(5) -0.6303(5) 0.3510(4) 0.050(2) Uani 1 1 d . . . . .
H52 H -0.044247 -0.581096 0.354169 0.060 Uiso 1 1 calc R . . . .
C14 C 0.5441(4) -0.3904(5) 0.6376(4) 0.052(2) Uani 1 1 d . . . . .
H14 H 0.571797 -0.422129 0.629198 0.062 Uiso 1 1 calc R . . . .
C141 C 0.0900(6) -0.0258(5) 0.2488(5) 0.071(4) Uani 1 1 d . . . . .
C45 C 0.2478(5) -0.4659(6) 0.3258(6) 0.066(3) Uani 1 1 d . . . . .
H45 H 0.277957 -0.457357 0.353490 0.079 Uiso 1 1 calc R . . . .
C34 C 0.3592(5) -0.1189(6) 0.5098(4) 0.054(3) Uani 1 1 d . . . . .
H34 H 0.347453 -0.095725 0.475827 0.065 Uiso 1 1 calc R . . . .
C56 C 0.0186(5) -0.7318(5) 0.3379(5) 0.060(3) Uani 1 1 d . . . . .
H56 H 0.053218 -0.751127 0.332304 0.071 Uiso 1 1 calc R . . . .
C33 C 0.3652(5) -0.1927(6) 0.5110(4) 0.055(3) Uani 1 1 d . . . . .
H33 H 0.358950 -0.218744 0.477580 0.066 Uiso 1 1 calc R . . . .
C32 C 0.3803(4) -0.2279(5) 0.5617(4) 0.046(2) Uani 1 1 d . . . . .
H32 H 0.384220 -0.277363 0.562423 0.055 Uiso 1 1 calc R . . . .
B1 B 0.3543(4) -0.1110(6) 0.8620(5) 0.045(2) Uani 1 1 d . . . . .
H1A H 0.333231 -0.092415 0.890991 0.053 Uiso 1 1 calc R . . . .
H1B H 0.363456 -0.160656 0.870668 0.053 Uiso 1 1 calc R . . . .
C125 C 0.0443(7) -0.2187(6) 0.0081(4) 0.074(4) Uani 1 1 d . . . . .
H125 H 0.067844 -0.226908 -0.019471 0.089 Uiso 1 1 calc R . . . .
C25 C 0.3062(5) -0.3560(6) 0.7623(5) 0.063(3) Uani 1 1 d . . . . .
H25 H 0.306694 -0.372680 0.799077 0.076 Uiso 1 1 calc R . . . .
C95 C 0.3970(5) -0.4692(5) 0.2480(5) 0.058(3) Uani 1 1 d . . . . .
H95 H 0.398382 -0.518053 0.255505 0.070 Uiso 1 1 calc R . . . .
C73 C 0.0876(5) -0.4373(6) 0.4594(4) 0.063(3) Uani 1 1 d . . . . .
H73 H 0.093830 -0.388178 0.459670 0.076 Uiso 1 1 calc R . . . .
C124 C 0.0584(6) -0.1878(5) 0.0610(5) 0.062(3) Uani 1 1 d . . . . .
H124 H 0.094416 -0.173515 0.075785 0.075 Uiso 1 1 calc R . . . .
C35 C 0.3706(4) -0.0799(5) 0.5589(4) 0.048(2) Uani 1 1 d . . . . .
H35 H 0.368396 -0.030249 0.557643 0.058 Uiso 1 1 calc R . . . .
B2 B 0.1711(5) -0.4716(7) 0.1801(5) 0.051(3) Uani 1 1 d . . . . .
H2A H 0.164595 -0.520595 0.167608 0.061 Uiso 1 1 calc R . . . .
H2B H 0.198609 -0.450498 0.158447 0.061 Uiso 1 1 calc R . . . .
C24 C 0.2631(5) -0.3744(6) 0.7220(6) 0.068(3) Uani 1 1 d . . . . .
H24 H 0.234293 -0.403698 0.731313 0.082 Uiso 1 1 calc R . . . .
C126 C -0.0098(7) -0.2338(6) 0.0054(4) 0.072(4) Uani 1 1 d . . . . .
H126 H -0.030770 -0.256524 -0.024963 0.086 Uiso 1 1 calc R . . . .
C23 C 0.2626(5) -0.3495(7) 0.6678(6) 0.075(4) Uani 1 1 d . . . . .
H23 H 0.232536 -0.360625 0.640711 0.090 Uiso 1 1 calc R . . . .
B3 B 0.6296(5) -0.1745(7) 0.4091(5) 0.052(3) Uani 1 1 d . . . . .
H3A H 0.633535 -0.223361 0.396370 0.062 Uiso 1 1 calc R . . . .
H3B H 0.663325 -0.161482 0.433694 0.062 Uiso 1 1 calc R . . . .
C54 C -0.0778(7) -0.7479(7) 0.3502(6) 0.079(4) Uani 1 1 d . . . . .
H54 H -0.107975 -0.778093 0.353638 0.095 Uiso 1 1 calc R . . . .
C74 C 0.0788(7) -0.4729(8) 0.5101(6) 0.090(5) Uani 1 1 d . . . . .
H74 H 0.083500 -0.449835 0.544924 0.108 Uiso 1 1 calc R . . . .
C142 C 0.1081(7) -0.0522(7) 0.3026(5) 0.092(5) Uani 1 1 d . . . . .
H142 H 0.114676 -0.100947 0.307739 0.110 Uiso 1 1 calc R . . . .
C76 C 0.0622(6) -0.5823(7) 0.4565(4) 0.077(4) Uani 1 1 d . . . . .
H76 H 0.054532 -0.630996 0.456883 0.092 Uiso 1 1 calc R . . . .
C55 C -0.0275(8) -0.7766(6) 0.3411(6) 0.088(5) Uani 1 1 d . . . . .
H55 H -0.023821 -0.825854 0.337152 0.106 Uiso 1 1 calc R . . . .
B4 B -0.0911(7) -0.2087(7) 0.0664(5) 0.067(4) Uani 1 1 d . . . . .
H4A H -0.116150 -0.229287 0.035486 0.080 Uiso 1 1 calc R . . . .
H4B H -0.102070 -0.159371 0.071074 0.080 Uiso 1 1 calc R . . . .
C146 C 0.0812(6) 0.0477(6) 0.2408(6) 0.076(4) Uani 1 1 d . . . . .
H146 H 0.070093 0.065908 0.204816 0.091 Uiso 1 1 calc R . . . .
C145 C 0.0894(7) 0.0935(7) 0.2874(6) 0.089(5) Uani 1 1 d . . . . .
H145 H 0.083079 0.142300 0.282480 0.107 Uiso 1 1 calc R . . . .
C53 C -0.0850(5) -0.6747(6) 0.3542(5) 0.064(3) Uani 1 1 d . . . . .
H53 H -0.119972 -0.655700 0.359084 0.077 Uiso 1 1 calc R . . . .
C75 C 0.0636(7) -0.5411(8) 0.5051(5) 0.085(4) Uani 1 1 d . . . . .
H75 H 0.052957 -0.563310 0.537048 0.102 Uiso 1 1 calc R . . . .
C144 C 0.1065(9) 0.0672(8) 0.3395(7) 0.115(7) Uani 1 1 d . . . . .
H144 H 0.111720 0.098646 0.369944 0.138 Uiso 1 1 calc R . . . .
C143 C 0.1165(8) -0.0056(8) 0.3490(6) 0.106(6) Uani 1 1 d . . . . .
H143 H 0.128501 -0.022707 0.385099 0.127 Uiso 1 1 calc R . . . .
C155 C 0.1998(4) -0.2456(4) 0.1888(5) 0.105(4) Uani 1 1 d . U . . .
H155 H 0.200129 -0.294072 0.179942 0.126 Uiso 1 1 calc R . . . .
C154 C 0.2498(3) -0.2104(6) 0.2070(5) 0.128(6) Uani 1 1 d G U . . .
H154 H 0.283636 -0.235288 0.210309 0.153 Uiso 1 1 calc R . . . .
C153 C 0.2492(3) -0.1381(6) 0.2203(5) 0.118(4) Uani 1 1 d G U . . .
H153 H 0.282719 -0.114488 0.232516 0.142 Uiso 1 1 calc R . . . .
C152 C 0.1987(4) -0.1009(4) 0.2155(4) 0.105(4) Uani 1 1 d G U . . .
H152 H 0.198294 -0.052472 0.224356 0.126 Uiso 1 1 calc R . . . .
C151 C 0.1486(3) -0.1361(4) 0.1973(4) 0.075(3) Uani 1 1 d G U . . .
C156 C 0.1492(3) -0.2085(4) 0.1840(4) 0.070(3) Uani 1 1 d G U . . .
H156 H 0.115703 -0.232055 0.171781 0.084 Uiso 1 1 calc R . . . .
C105 C 0.2735(3) -0.2404(6) 0.3517(5) 0.128(6) Uani 1 1 d . U . . .
H105 H 0.240533 -0.266342 0.352471 0.153 Uiso 1 1 calc R . . . .
C106 C 0.3231(3) -0.2756(4) 0.3442(4) 0.104(5) Uani 1 1 d G U . . .
H106 H 0.323335 -0.325011 0.339861 0.124 Uiso 1 1 calc R . . . .
C101 C 0.3725(2) -0.2368(4) 0.3430(3) 0.060(3) Uani 1 1 d G U . . .
C102 C 0.3722(2) -0.1629(4) 0.3494(3) 0.054(2) Uani 1 1 d G U . . .
H102 H 0.405185 -0.136988 0.348691 0.065 Uiso 1 1 calc R . . . .
C103 C 0.3226(3) -0.1278(4) 0.3570(3) 0.077(3) Uani 1 1 d G U . . .
H103 H 0.322383 -0.078318 0.361302 0.093 Uiso 1 1 calc R . . . .
C104 C 0.2732(2) -0.1665(6) 0.3581(4) 0.113(5) Uani 1 1 d G U . . .
H104 H 0.240057 -0.142994 0.363192 0.135 Uiso 1 1 calc R . . . .
C63 C 0.2062(4) -0.7217(5) 0.4058(4) 0.125(5) Uani 1 1 d . U . . .
H63 H 0.225960 -0.732338 0.440918 0.150 Uiso 1 1 calc R . . . .
C64 C 0.2212(4) -0.7540(5) 0.3573(5) 0.119(5) Uani 1 1 d G U . . .
H64 H 0.250885 -0.786225 0.359909 0.143 Uiso 1 1 calc R . . . .
C65 C 0.1917(4) -0.7380(4) 0.3049(4) 0.088(3) Uani 1 1 d G U . . .
H65 H 0.201646 -0.759615 0.272380 0.106 Uiso 1 1 calc R . . . .
C66 C 0.1472(3) -0.6898(4) 0.3009(3) 0.068(3) Uani 1 1 d G U . . .
H66 H 0.127483 -0.679118 0.265858 0.082 Uiso 1 1 calc R . . . .
C61 C 0.1323(3) -0.6575(4) 0.3495(3) 0.061(2) Uani 1 1 d G U . . .
C62 C 0.1618(4) -0.6734(5) 0.4019(3) 0.101(4) Uani 1 1 d G U . . .
H62 H 0.151796 -0.651840 0.434396 0.122 Uiso 1 1 calc R . . . .
C113 C 0.4481(6) -0.3905(6) 0.4879(4) 0.127(6) Uani 1 1 d . U . . .
H113 H 0.426235 -0.398750 0.516832 0.152 Uiso 1 1 calc R . . . .
C114 C 0.5024(6) -0.4178(6) 0.4917(4) 0.138(7) Uani 1 1 d G U . . .
H114 H 0.516795 -0.444310 0.523158 0.166 Uiso 1 1 calc R . . . .
C115 C 0.5351(4) -0.4054(6) 0.4484(5) 0.136(7) Uani 1 1 d G U . . .
H115 H 0.571364 -0.423704 0.450886 0.164 Uiso 1 1 calc R . . . .
C116 C 0.5135(4) -0.3658(6) 0.4013(4) 0.111(5) Uani 1 1 d G U . . .
H116 H 0.535372 -0.357538 0.372288 0.133 Uiso 1 1 calc R . . . .
C111 C 0.4592(4) -0.3385(4) 0.3975(3) 0.065(3) Uani 1 1 d G U . . .
C112 C 0.4265(4) -0.3508(5) 0.4408(4) 0.119(5) Uani 1 1 d G U . . .
H112 H 0.390243 -0.332582 0.438232 0.143 Uiso 1 1 calc R . . . .
C134 C 0.0736(7) 0.0659(7) 0.0375(5) 0.154(6) Uani 1 1 d . U . . .
H134 H 0.071298 0.097353 0.007051 0.185 Uiso 1 1 calc R . . . .
C133 C 0.0252(5) 0.0459(7) 0.0601(5) 0.138(5) Uani 1 1 d G U . . .
H133 H -0.009541 0.063940 0.044713 0.165 Uiso 1 1 calc R . . . .
C132 C 0.0286(4) -0.0011(6) 0.1056(5) 0.106(4) Uani 1 1 d G U . . .
H132 H -0.003806 -0.014522 0.120651 0.127 Uiso 1 1 calc R . . . .
C131 C 0.0805(5) -0.0281(5) 0.1285(4) 0.080(3) Uani 1 1 d G U . . .
C136 C 0.1289(4) -0.0081(6) 0.1059(5) 0.117(4) Uani 1 1 d G U . . .
H136 H 0.163608 -0.026161 0.121266 0.141 Uiso 1 1 calc R . . . .
C135 C 0.1255(6) 0.0389(7) 0.0604(5) 0.142(5) Uani 1 1 d G U . . .
H135 H 0.157874 0.052302 0.045328 0.171 Uiso 1 1 calc R . . . .
Cl12 Cl 0.7527(4) -0.0091(5) 0.5264(5) 0.229(5) Uani 1 1 d . . . . .
Cl11 Cl 0.8147(5) -0.1284(5) 0.4939(6) 0.338(9) Uani 1 1 d . . . . .
Cl32 Cl 0.6770(5) -0.3840(7) 0.5564(5) 0.140(4) Uani 0.5 1 d D U . . .
Cl31 Cl 0.7385(8) -0.3543(8) 0.4546(5) 0.192(6) Uani 0.5 1 d . U . . .
C204 C 0.6750(11) -0.3271(13) 0.4947(12) 0.122(7) Uani 0.5 1 d D U . . .
H20C H 0.678151 -0.277246 0.506033 0.147 Uiso 0.5 1 calc R U . . .
H20D H 0.639852 -0.333559 0.470412 0.147 Uiso 0.5 1 calc R U . . .
C202 C 0.7661(9) -0.0963(15) 0.5264(11) 0.170(11) Uani 1 1 d . . . . .
H20A H 0.774204 -0.110908 0.565675 0.204 Uiso 1 1 calc R . . . .
H20B H 0.731472 -0.120069 0.511404 0.204 Uiso 1 1 calc R . . . .
Cl2 Cl 0.2372(5) -0.3019(9) 0.5033(5) 0.173(5) Uani 0.5 1 d D U . A 1
Cl1 Cl 0.2142(7) -0.1783(11) 0.5753(8) 0.208(6) Uani 0.5 1 d . U . A 1
C201 C 0.227(2) -0.213(2) 0.518(3) 0.204(9) Uani 0.5 1 d D U . A 1
H20E H 0.260291 -0.188938 0.508785 0.244 Uiso 0.5 1 calc R . . A 1
H20F H 0.196469 -0.197797 0.490293 0.244 Uiso 0.5 1 calc R . . A 1
Cl21 Cl 0.6704(4) -0.5538(6) 0.4543(6) 0.132(4) Uani 0.5 1 d . . . . .
Cl22 Cl 0.7684(14) -0.5183(14) 0.4934(12) 0.323(15) Uani 0.5 1 d . . . . .
C203 C 0.723(2) -0.505(2) 0.4457(13) 0.16(2) Uani 0.5 1 d . . . . .
H20G H 0.736213 -0.515547 0.409904 0.187 Uiso 0.5 1 calc R . . . .
H20H H 0.711982 -0.454546 0.445405 0.187 Uiso 0.5 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
Rh3 P3 2.267(2) . ?
Rh3 N21 2.107(6) . ?
Rh3 C3 1.7644(11) . ?
Rh3 N23 2.187(7) . ?
Rh1 P1 2.267(2) . ?
Rh1 N3 2.110(7) . ?
Rh1 N1 2.196(7) . ?
Rh1 C1 1.7680(12) . ?
Rh2 P2 2.268(2) . ?
Rh2 N12 2.114(7) . ?
Rh2 N14 2.199(7) . ?
Rh2 C2 1.7652(10) . ?
Rh4 P4 2.271(3) . ?
Rh4 N31 2.114(7) . ?
Rh4 N33 2.173(7) . ?
Rh4 C4 1.7596(10) . ?
P1 C11 1.830(8) . ?
P1 C21 1.838(8) . ?
P1 C31 1.839(9) . ?
P3 C91 1.839(8) . ?
P3 C101 1.842(6) . ?
P3 C111 1.839(7) . ?
P2 C71 1.838(9) . ?
P2 C51 1.830(10) . ?
P2 C61 1.827(6) . ?
P4 C141 1.835(10) . ?
P4 C151 1.847(8) . ?
P4 C131 1.817(8) . ?
N3 N4 1.368(9) . ?
N3 C5 1.341(10) . ?
N21 N22 1.386(10) . ?
N21 C81 1.327(11) . ?
N12 N13 1.361(9) . ?
N12 C41 1.348(10) . ?
N31 N32 1.361(10) . ?
N31 C121 1.343(10) . ?
N1 N2 1.360(9) . ?
N1 C8AA 1.336(11) . ?
N4 C7 1.347(11) . ?
N4 B1 1.540(12) . ?
N33 N34 1.363(12) . ?
N33 C124 1.373(14) . ?
N2 C3AA 1.349(12) . ?
N2 B1 1.552(13) . ?
N24 N23 1.363(10) . ?
N24 C86 1.357(12) . ?
N24 B3 1.551(14) . ?
N14 N15 1.368(11) . ?
N14 C44 1.339(12) . ?
N22 C83 1.337(12) . ?
N22 B3 1.554(14) . ?
N13 C43 1.331(12) . ?
N13 B2 1.562(12) . ?
N32 C123 1.338(12) . ?
N32 B4 1.565(13) . ?
N23 C84 1.320(11) . ?
N15 C46 1.337(13) . ?
N15 B2 1.541(15) . ?
C11 C12 1.389(12) . ?
C11 C16 1.393(12) . ?
C5 H5 0.9300 . ?
C5 C6 1.391(12) . ?
C41 H41 0.9300 . ?
C41 C42 1.390(11) . ?
C121 H121 0.9300 . ?
C121 C122 1.378(13) . ?
N34 C126 1.351(13) . ?
N34 B4 1.526(18) . ?
C12 H12 0.9300 . ?
C12 C13 1.403(13) . ?
C122 H122 0.9300 . ?
C122 C123 1.363(14) . ?
C42 H42 0.9300 . ?
C42 C43 1.349(13) . ?
C81 H81 0.9300 . ?
C81 C82 1.399(12) . ?
C21 C22 1.366(13) . ?
C21 C26 1.391(13) . ?
C43 H43 0.9300 . ?
C8AA H8AA 0.9300 . ?
C8AA C4AA 1.389(13) . ?
C91 C92 1.378(12) . ?
C91 C96 1.384(12) . ?
C16 H16 0.9300 . ?
C16 C15 1.386(13) . ?
C3AA H3AA 0.9300 . ?
C3AA C4AA 1.354(15) . ?
C31 C36 1.390(12) . ?
C31 C32 1.399(12) . ?
C36 H36 0.9300 . ?
C36 C35 1.385(12) . ?
C83 H83 0.9300 . ?
C83 C82 1.360(15) . ?
C46 H46 0.9300 . ?
C46 C45 1.377(17) . ?
C6 H6 0.9300 . ?
C6 C7 1.371(14) . ?
C92 H92 0.9300 . ?
C92 C93 1.369(13) . ?
C86 H86 0.9300 . ?
C86 C85 1.341(15) . ?
C93 H93 0.9300 . ?
C93 C94 1.378(14) . ?
C72 H72 0.9300 . ?
C72 C71 1.387(13) . ?
C72 C73 1.394(13) . ?
C82 H82 0.9300 . ?
C123 H123 0.9300 . ?
C4AA H4AA 0.9300 . ?
C84 H84 0.9300 . ?
C84 C85 1.412(13) . ?
C22 H22 0.9300 . ?
C22 C23 1.373(15) . ?
C71 C76 1.388(14) . ?
C94 H94 0.9300 . ?
C94 C95 1.358(15) . ?
C85 H85 0.9300 . ?
C7 H7 0.9300 . ?
C96 H96 0.9300 . ?
C96 C95 1.394(14) . ?
C44 H44 0.9300 . ?
C44 C45 1.369(15) . ?
C51 C52 1.378(14) . ?
C51 C56 1.418(12) . ?
C26 H26 0.9300 . ?
C26 C25 1.386(13) . ?
C13 H13 0.9300 . ?
C13 C14 1.361(15) . ?
C15 H15 0.9300 . ?
C15 C14 1.411(14) . ?
C52 H52 0.9300 . ?
C52 C53 1.379(14) . ?
C14 H14 0.9300 . ?
C141 C142 1.392(18) . ?
C141 C146 1.400(16) . ?
C45 H45 0.9300 . ?
C34 H34 0.9300 . ?
C34 C33 1.388(15) . ?
C34 C35 1.376(14) . ?
C56 H56 0.9300 . ?
C56 C55 1.397(18) . ?
C33 H33 0.9300 . ?
C33 C32 1.383(14) . ?
C32 H32 0.9300 . ?
B1 H1A 0.9700 . ?
B1 H1B 0.9700 . ?
C125 H125 0.9300 . ?
C125 C124 1.391(15) . ?
C125 C126 1.322(19) . ?
C25 H25 0.9300 . ?
C25 C24 1.363(16) . ?
C95 H95 0.9300 . ?
C73 H73 0.9300 . ?
C73 C74 1.417(18) . ?
C124 H124 0.9300 . ?
C35 H35 0.9300 . ?
B2 H2A 0.9700 . ?
B2 H2B 0.9700 . ?
C24 H24 0.9300 . ?
C24 C23 1.373(17) . ?
C126 H126 0.9300 . ?
C23 H23 0.9300 . ?
B3 H3A 0.9700 . ?
B3 H3B 0.9700 . ?
C54 H54 0.9300 . ?
C54 C55 1.36(2) . ?
C54 C53 1.385(18) . ?
C74 H74 0.9300 . ?
C74 C75 1.327(19) . ?
C142 H142 0.9300 . ?
C142 C143 1.403(16) . ?
C76 H76 0.9300 . ?
C76 C75 1.387(16) . ?
C55 H55 0.9300 . ?
B4 H4A 0.9700 . ?
B4 H4B 0.9700 . ?
C146 H146 0.9300 . ?
C146 C145 1.395(16) . ?
C145 H145 0.9300 . ?
C145 C144 1.35(2) . ?
C53 H53 0.9300 . ?
C75 H75 0.9300 . ?
C144 H144 0.9300 . ?
C144 C143 1.40(2) . ?
C143 H143 0.9300 . ?
C155 H155 0.9300 . ?
C155 C154 1.3900 . ?
C155 C156 1.3900 . ?
C154 H154 0.9300 . ?
C154 C153 1.3900 . ?
C153 H153 0.9300 . ?
C153 C152 1.3900 . ?
C152 H152 0.9300 . ?
C152 C151 1.3900 . ?
C151 C156 1.3900 . ?
C156 H156 0.9300 . ?
C105 H105 0.9300 . ?
C105 C106 1.3900 . ?
C105 C104 1.3900 . ?
C106 H106 0.9300 . ?
C106 C101 1.3900 . ?
C101 C102 1.3900 . ?
C102 H102 0.9300 . ?
C102 C103 1.3900 . ?
C103 H103 0.9300 . ?
C103 C104 1.3900 . ?
C104 H104 0.9300 . ?
C63 H63 0.9300 . ?
C63 C64 1.3900 . ?
C63 C62 1.3900 . ?
C64 H64 0.9300 . ?
C64 C65 1.3900 . ?
C65 H65 0.9300 . ?
C65 C66 1.3900 . ?
C66 H66 0.9300 . ?
C66 C61 1.3900 . ?
C61 C62 1.3900 . ?
C62 H62 0.9300 . ?
C113 H113 0.9300 . ?
C113 C114 1.3900 . ?
C113 C112 1.3900 . ?
C114 H114 0.9300 . ?
C114 C115 1.3900 . ?
C115 H115 0.9300 . ?
C115 C116 1.3900 . ?
C116 H116 0.9300 . ?
C116 C111 1.3900 . ?
C111 C112 1.3900 . ?
C112 H112 0.9300 . ?
C134 H134 0.9300 . ?
C134 C133 1.3900 . ?
C134 C135 1.3900 . ?
C133 H133 0.9300 . ?
C133 C132 1.3900 . ?
C132 H132 0.9300 . ?
C132 C131 1.3900 . ?
C131 C136 1.3900 . ?
C136 H136 0.9300 . ?
C136 C135 1.3900 . ?
C135 H135 0.9300 . ?
Cl12 C202 1.66(3) . ?
Cl11 C202 1.60(2) . ?
Cl32 C204 1.81(2) . ?
Cl31 C204 1.96(4) . ?
C204 H20C 0.9700 . ?
C204 H20D 0.9700 . ?
C202 H20A 0.9700 . ?
C202 H20B 0.9700 . ?
Cl2 C201 1.72(4) . ?
Cl1 C201 1.57(6) . ?
C201 H20E 0.9700 . ?
C201 H20F 0.9700 . ?
Cl21 C203 1.59(5) . ?
Cl22 C203 1.50(5) . ?
C203 H20G 0.9700 . ?
C203 H20H 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
N21 Rh3 P3 178.05(18) . . ?
N21 Rh3 N23 87.2(3) . . ?
C3 Rh3 P3 91.4(2) . . ?
C3 Rh3 N21 88.9(3) . . ?
C3 Rh3 N23 174.4(4) . . ?
N23 Rh3 P3 92.3(2) . . ?
N3 Rh1 P1 179.03(19) . . ?
N3 Rh1 N1 87.7(2) . . ?
N1 Rh1 P1 92.17(19) . . ?
C1 Rh1 P1 89.9(2) . . ?
C1 Rh1 N3 90.2(3) . . ?
C1 Rh1 N1 174.1(4) . . ?
N12 Rh2 P2 174.46(18) . . ?
N12 Rh2 N14 87.9(3) . . ?
N14 Rh2 P2 93.7(2) . . ?
C2 Rh2 P2 89.5(2) . . ?
C2 Rh2 N12 88.5(3) . . ?
C2 Rh2 N14 174.4(4) . . ?
N31 Rh4 P4 175.9(2) . . ?
N31 Rh4 N33 87.8(3) . . ?
N33 Rh4 P4 93.9(2) . . ?
C4 Rh4 P4 89.0(2) . . ?
C4 Rh4 N31 89.0(3) . . ?
C4 Rh4 N33 175.0(4) . . ?
C11 P1 Rh1 120.6(3) . . ?
C11 P1 C21 103.5(4) . . ?
C11 P1 C31 101.2(4) . . ?
C21 P1 Rh1 109.4(3) . . ?
C21 P1 C31 106.6(4) . . ?
C31 P1 Rh1 114.2(3) . . ?
C91 P3 Rh3 121.2(3) . . ?
C91 P3 C101 100.9(4) . . ?
C91 P3 C111 103.6(4) . . ?
C101 P3 Rh3 113.8(2) . . ?
C111 P3 Rh3 107.7(3) . . ?
C111 P3 C101 108.8(4) . . ?
C71 P2 Rh2 113.1(3) . . ?
C51 P2 Rh2 119.5(3) . . ?
C51 P2 C71 101.1(4) . . ?
C61 P2 Rh2 112.6(3) . . ?
C61 P2 C71 106.5(4) . . ?
C61 P2 C51 102.7(4) . . ?
C141 P4 Rh4 119.6(4) . . ?
C141 P4 C151 101.8(6) . . ?
C151 P4 Rh4 113.4(3) . . ?
C131 P4 Rh4 110.6(4) . . ?
C131 P4 C141 102.5(5) . . ?
C131 P4 C151 107.8(5) . . ?
N4 N3 Rh1 124.2(5) . . ?
C5 N3 Rh1 128.8(5) . . ?
C5 N3 N4 106.9(7) . . ?
N22 N21 Rh3 122.7(5) . . ?
C81 N21 Rh3 129.3(6) . . ?
C81 N21 N22 106.9(7) . . ?
N13 N12 Rh2 125.8(5) . . ?
C41 N12 Rh2 128.0(5) . . ?
C41 N12 N13 105.8(6) . . ?
N32 N31 Rh4 125.0(5) . . ?
C121 N31 Rh4 128.9(6) . . ?
C121 N31 N32 105.9(7) . . ?
N2 N1 Rh1 121.1(5) . . ?
C8AA N1 Rh1 131.2(6) . . ?
C8AA N1 N2 106.2(7) . . ?
N3 N4 B1 121.1(7) . . ?
C7 N4 N3 108.8(7) . . ?
C7 N4 B1 130.0(7) . . ?
N34 N33 Rh4 122.9(6) . . ?
N34 N33 C124 104.8(8) . . ?
C124 N33 Rh4 129.6(8) . . ?
N1 N2 B1 121.2(7) . . ?
C3AA N2 N1 109.2(8) . . ?
C3AA N2 B1 129.1(8) . . ?
N23 N24 B3 120.5(7) . . ?
C86 N24 N23 109.8(8) . . ?
C86 N24 B3 129.6(9) . . ?
Rh1 C1 Rh1 169.1(7) . 2_656 ?
N15 N14 Rh2 121.1(6) . . ?
C44 N14 Rh2 130.7(7) . . ?
C44 N14 N15 106.2(8) . . ?
N21 N22 B3 119.5(7) . . ?
C83 N22 N21 108.2(8) . . ?
C83 N22 B3 132.2(9) . . ?
Rh3 C3 Rh3 168.8(6) . 2_655 ?
N12 N13 B2 119.9(7) . . ?
C43 N13 N12 109.2(7) . . ?
C43 N13 B2 130.8(8) . . ?
N31 N32 B4 120.7(8) . . ?
C123 N32 N31 109.3(7) . . ?
C123 N32 B4 130.0(9) . . ?
N24 N23 Rh3 121.2(6) . . ?
C84 N23 Rh3 131.4(6) . . ?
C84 N23 N24 106.8(7) . . ?
Rh2 C2 Rh2 170.2(6) 2 . ?
N14 N15 B2 121.4(8) . . ?
C46 N15 N14 108.7(9) . . ?
C46 N15 B2 129.3(9) . . ?
C12 C11 P1 121.3(7) . . ?
C12 C11 C16 119.7(8) . . ?
C16 C11 P1 119.0(6) . . ?
N3 C5 H5 125.0 . . ?
N3 C5 C6 110.0(8) . . ?
C6 C5 H5 125.0 . . ?
N12 C41 H41 124.9 . . ?
N12 C41 C42 110.1(7) . . ?
C42 C41 H41 124.9 . . ?
N31 C121 H121 124.6 . . ?
N31 C121 C122 110.8(8) . . ?
C122 C121 H121 124.6 . . ?
N33 N34 B4 120.1(8) . . ?
C126 N34 N33 109.0(10) . . ?
C126 N34 B4 130.4(11) . . ?
Rh4 C4 Rh4 170.4(6) 2 . ?
C11 C12 H12 120.2 . . ?
C11 C12 C13 119.7(9) . . ?
C13 C12 H12 120.2 . . ?
C121 C122 H122 127.7 . . ?
C123 C122 C121 104.6(8) . . ?
C123 C122 H122 127.7 . . ?
C41 C42 H42 127.7 . . ?
C43 C42 C41 104.7(8) . . ?
C43 C42 H42 127.7 . . ?
N21 C81 H81 125.0 . . ?
N21 C81 C82 110.0(8) . . ?
C82 C81 H81 125.0 . . ?
C22 C21 P1 125.4(7) . . ?
C22 C21 C26 119.7(9) . . ?
C26 C21 P1 114.9(7) . . ?
N13 C43 C42 110.2(8) . . ?
N13 C43 H43 124.9 . . ?
C42 C43 H43 124.9 . . ?
N1 C8AA H8AA 124.8 . . ?
N1 C8AA C4AA 110.4(9) . . ?
C4AA C8AA H8AA 124.8 . . ?
C92 C91 P3 119.6(7) . . ?
C92 C91 C96 119.4(8) . . ?
C96 C91 P3 121.0(7) . . ?
C11 C16 H16 119.6 . . ?
C15 C16 C11 120.7(9) . . ?
C15 C16 H16 119.6 . . ?
N2 C3AA H3AA 125.5 . . ?
N2 C3AA C4AA 109.1(8) . . ?
C4AA C3AA H3AA 125.5 . . ?
C36 C31 P1 118.5(6) . . ?
C36 C31 C32 119.8(8) . . ?
C32 C31 P1 121.8(7) . . ?
C31 C36 H36 120.0 . . ?
C35 C36 C31 119.9(8) . . ?
C35 C36 H36 120.0 . . ?
N22 C83 H83 125.1 . . ?
N22 C83 C82 109.9(8) . . ?
C82 C83 H83 125.1 . . ?
N15 C46 H46 125.2 . . ?
N15 C46 C45 109.5(10) . . ?
C45 C46 H46 125.2 . . ?
C5 C6 H6 127.5 . . ?
C7 C6 C5 105.1(8) . . ?
C7 C6 H6 127.5 . . ?
C91 C92 H92 119.8 . . ?
C93 C92 C91 120.3(9) . . ?
C93 C92 H92 119.8 . . ?
N24 C86 H86 126.1 . . ?
C85 C86 N24 107.8(9) . . ?
C85 C86 H86 126.1 . . ?
C92 C93 H93 119.4 . . ?
C92 C93 C94 121.2(10) . . ?
C94 C93 H93 119.4 . . ?
C71 C72 H72 119.7 . . ?
C71 C72 C73 120.5(9) . . ?
C73 C72 H72 119.7 . . ?
C81 C82 H82 127.5 . . ?
C83 C82 C81 105.1(8) . . ?
C83 C82 H82 127.5 . . ?
N32 C123 C122 109.4(9) . . ?
N32 C123 H123 125.3 . . ?
C122 C123 H123 125.3 . . ?
C8AA C4AA H4AA 127.5 . . ?
C3AA C4AA C8AA 105.1(8) . . ?
C3AA C4AA H4AA 127.5 . . ?
N23 C84 H84 125.4 . . ?
N23 C84 C85 109.3(9) . . ?
C85 C84 H84 125.4 . . ?
C21 C22 H22 120.1 . . ?
C21 C22 C23 119.9(10) . . ?
C23 C22 H22 120.1 . . ?
C72 C71 P2 119.1(7) . . ?
C72 C71 C76 119.4(9) . . ?
C76 C71 P2 121.5(8) . . ?
C93 C94 H94 120.8 . . ?
C95 C94 C93 118.4(9) . . ?
C95 C94 H94 120.8 . . ?
C86 C85 C84 106.3(9) . . ?
C86 C85 H85 126.8 . . ?
C84 C85 H85 126.8 . . ?
N4 C7 C6 109.2(8) . . ?
N4 C7 H7 125.4 . . ?
C6 C7 H7 125.4 . . ?
C91 C96 H96 120.6 . . ?
C91 C96 C95 118.9(10) . . ?
C95 C96 H96 120.6 . . ?
N14 C44 H44 124.4 . . ?
N14 C44 C45 111.3(11) . . ?
C45 C44 H44 124.4 . . ?
C52 C51 P2 120.8(7) . . ?
C52 C51 C56 118.2(9) . . ?
C56 C51 P2 121.0(8) . . ?
C21 C26 H26 120.2 . . ?
C25 C26 C21 119.6(10) . . ?
C25 C26 H26 120.2 . . ?
C12 C13 H13 119.8 . . ?
C14 C13 C12 120.3(9) . . ?
C14 C13 H13 119.8 . . ?
C16 C15 H15 120.6 . . ?
C16 C15 C14 118.8(9) . . ?
C14 C15 H15 120.6 . . ?
C51 C52 H52 119.1 . . ?
C51 C52 C53 121.8(10) . . ?
C53 C52 H52 119.1 . . ?
C13 C14 C15 120.7(9) . . ?
C13 C14 H14 119.6 . . ?
C15 C14 H14 119.6 . . ?
C142 C141 P4 119.1(9) . . ?
C142 C141 C146 119.9(10) . . ?
C146 C141 P4 120.9(10) . . ?
C46 C45 H45 127.8 . . ?
C44 C45 C46 104.4(10) . . ?
C44 C45 H45 127.8 . . ?
C33 C34 H34 120.0 . . ?
C35 C34 H34 120.0 . . ?
C35 C34 C33 119.9(9) . . ?
C51 C56 H56 120.0 . . ?
C55 C56 C51 119.9(12) . . ?
C55 C56 H56 120.0 . . ?
C34 C33 H33 119.8 . . ?
C32 C33 C34 120.4(9) . . ?
C32 C33 H33 119.8 . . ?
C31 C32 H32 120.3 . . ?
C33 C32 C31 119.5(9) . . ?
C33 C32 H32 120.3 . . ?
N4 B1 N2 108.7(7) . . ?
N4 B1 H1A 109.9 . . ?
N4 B1 H1B 109.9 . . ?
N2 B1 H1A 109.9 . . ?
N2 B1 H1B 109.9 . . ?
H1A B1 H1B 108.3 . . ?
C124 C125 H125 127.5 . . ?
C126 C125 H125 127.5 . . ?
C126 C125 C124 105.1(10) . . ?
C26 C25 H25 119.9 . . ?
C24 C25 C26 120.2(11) . . ?
C24 C25 H25 119.9 . . ?
C94 C95 C96 121.8(9) . . ?
C94 C95 H95 119.1 . . ?
C96 C95 H95 119.1 . . ?
C72 C73 H73 120.0 . . ?
C72 C73 C74 120.0(10) . . ?
C74 C73 H73 120.0 . . ?
N33 C124 C125 110.2(12) . . ?
N33 C124 H124 124.9 . . ?
C125 C124 H124 124.9 . . ?
C36 C35 H35 119.8 . . ?
C34 C35 C36 120.4(9) . . ?
C34 C35 H35 119.8 . . ?
N13 B2 H2A 109.9 . . ?
N13 B2 H2B 109.9 . . ?
N15 B2 N13 108.7(8) . . ?
N15 B2 H2A 109.9 . . ?
N15 B2 H2B 109.9 . . ?
H2A B2 H2B 108.3 . . ?
C25 C24 H24 120.2 . . ?
C25 C24 C23 119.6(10) . . ?
C23 C24 H24 120.2 . . ?
N34 C126 H126 124.6 . . ?
C125 C126 N34 110.8(11) . . ?
C125 C126 H126 124.6 . . ?
C22 C23 C24 120.9(11) . . ?
C22 C23 H23 119.5 . . ?
C24 C23 H23 119.5 . . ?
N24 B3 N22 106.7(8) . . ?
N24 B3 H3A 110.4 . . ?
N24 B3 H3B 110.4 . . ?
N22 B3 H3A 110.4 . . ?
N22 B3 H3B 110.4 . . ?
H3A B3 H3B 108.6 . . ?
C55 C54 H54 119.2 . . ?
C55 C54 C53 121.5(12) . . ?
C53 C54 H54 119.2 . . ?
C73 C74 H74 121.8 . . ?
C75 C74 C73 116.3(12) . . ?
C75 C74 H74 121.8 . . ?
C141 C142 H142 119.9 . . ?
C141 C142 C143 120.2(13) . . ?
C143 C142 H142 119.9 . . ?
C71 C76 H76 121.3 . . ?
C75 C76 C71 117.4(11) . . ?
C75 C76 H76 121.3 . . ?
C56 C55 H55 120.2 . . ?
C54 C55 C56 119.6(11) . . ?
C54 C55 H55 120.2 . . ?
N32 B4 H4A 109.8 . . ?
N32 B4 H4B 109.8 . . ?
N34 B4 N32 109.6(9) . . ?
N34 B4 H4A 109.8 . . ?
N34 B4 H4B 109.8 . . ?
H4A B4 H4B 108.2 . . ?
C141 C146 H146 120.3 . . ?
C145 C146 C141 119.3(13) . . ?
C145 C146 H146 120.3 . . ?
C146 C145 H145 119.8 . . ?
C144 C145 C146 120.4(13) . . ?
C144 C145 H145 119.8 . . ?
C52 C53 C54 118.9(13) . . ?
C52 C53 H53 120.5 . . ?
C54 C53 H53 120.5 . . ?
C74 C75 C76 125.8(13) . . ?
C74 C75 H75 117.1 . . ?
C76 C75 H75 117.1 . . ?
C145 C144 H144 119.0 . . ?
C145 C144 C143 122.0(12) . . ?
C143 C144 H144 119.0 . . ?
C142 C143 H143 120.9 . . ?
C144 C143 C142 118.2(15) . . ?
C144 C143 H143 120.9 . . ?
C154 C155 H155 120.0 . . ?
C154 C155 C156 120.0 . . ?
C156 C155 H155 120.0 . . ?
C155 C154 H154 120.0 . . ?
C153 C154 C155 120.0 . . ?
C153 C154 H154 120.0 . . ?
C154 C153 H153 120.0 . . ?
C152 C153 C154 120.0 . . ?
C152 C153 H153 120.0 . . ?
C153 C152 H152 120.0 . . ?
C153 C152 C151 120.0 . . ?
C151 C152 H152 120.0 . . ?
C152 C151 P4 121.1(5) . . ?
C152 C151 C156 120.0 . . ?
C156 C151 P4 118.9(5) . . ?
C155 C156 H156 120.0 . . ?
C151 C156 C155 120.0 . . ?
C151 C156 H156 120.0 . . ?
C106 C105 H105 120.0 . . ?
C106 C105 C104 120.0 . . ?
C104 C105 H105 120.0 . . ?
C105 C106 H106 120.0 . . ?
C101 C106 C105 120.0 . . ?
C101 C106 H106 120.0 . . ?
C106 C101 P3 120.3(4) . . ?
C106 C101 C102 120.0 . . ?
C102 C101 P3 119.7(4) . . ?
C101 C102 H102 120.0 . . ?
C101 C102 C103 120.0 . . ?
C103 C102 H102 120.0 . . ?
C102 C103 H103 120.0 . . ?
C104 C103 C102 120.0 . . ?
C104 C103 H103 120.0 . . ?
C105 C104 H104 120.0 . . ?
C103 C104 C105 120.0 . . ?
C103 C104 H104 120.0 . . ?
C64 C63 H63 120.0 . . ?
C64 C63 C62 120.0 . . ?
C62 C63 H63 120.0 . . ?
C63 C64 H64 120.0 . . ?
C65 C64 C63 120.0 . . ?
C65 C64 H64 120.0 . . ?
C64 C65 H65 120.0 . . ?
C64 C65 C66 120.0 . . ?
C66 C65 H65 120.0 . . ?
C65 C66 H66 120.0 . . ?
C61 C66 C65 120.0 . . ?
C61 C66 H66 120.0 . . ?
C66 C61 P2 116.8(4) . . ?
C66 C61 C62 120.0 . . ?
C62 C61 P2 123.2(4) . . ?
C63 C62 H62 120.0 . . ?
C61 C62 C63 120.0 . . ?
C61 C62 H62 120.0 . . ?
C114 C113 H113 120.0 . . ?
C114 C113 C112 120.0 . . ?
C112 C113 H113 120.0 . . ?
C113 C114 H114 120.0 . . ?
C115 C114 C113 120.0 . . ?
C115 C114 H114 120.0 . . ?
C114 C115 H115 120.0 . . ?
C114 C115 C116 120.0 . . ?
C116 C115 H115 120.0 . . ?
C115 C116 H116 120.0 . . ?
C115 C116 C111 120.0 . . ?
C111 C116 H116 120.0 . . ?
C116 C111 P3 114.4(5) . . ?
C112 C111 P3 125.5(5) . . ?
C112 C111 C116 120.0 . . ?
C113 C112 H112 120.0 . . ?
C111 C112 C113 120.0 . . ?
C111 C112 H112 120.0 . . ?
C133 C134 H134 120.0 . . ?
C133 C134 C135 120.0 . . ?
C135 C134 H134 120.0 . . ?
C134 C133 H133 120.0 . . ?
C132 C133 C134 120.0 . . ?
C132 C133 H133 120.0 . . ?
C133 C132 H132 120.0 . . ?
C131 C132 C133 120.0 . . ?
C131 C132 H132 120.0 . . ?
C132 C131 P4 116.8(7) . . ?
C132 C131 C136 120.0 . . ?
C136 C131 P4 123.2(7) . . ?
C131 C136 H136 120.0 . . ?
C135 C136 C131 120.0 . . ?
C135 C136 H136 120.0 . . ?
C134 C135 H135 120.0 . . ?
C136 C135 C134 120.0 . . ?
C136 C135 H135 120.0 . . ?
Cl32 C204 Cl31 107.4(13) . . ?
Cl32 C204 H20C 110.2 . . ?
Cl32 C204 H20D 110.2 . . ?
Cl31 C204 H20C 110.2 . . ?
Cl31 C204 H20D 110.2 . . ?
H20C C204 H20D 108.5 . . ?
Cl12 C202 H20A 107.0 . . ?
Cl12 C202 H20B 107.0 . . ?
Cl11 C202 Cl12 121.3(18) . . ?
Cl11 C202 H20A 107.0 . . ?
Cl11 C202 H20B 107.0 . . ?
H20A C202 H20B 106.7 . . ?
Cl2 C201 H20E 105.1 . . ?
Cl2 C201 H20F 105.1 . . ?
Cl1 C201 Cl2 129(4) . . ?
Cl1 C201 H20E 105.1 . . ?
Cl1 C201 H20F 105.1 . . ?
H20E C201 H20F 105.9 . . ?
Cl21 C203 H20G 110.0 . . ?
Cl21 C203 H20H 110.0 . . ?
Cl22 C203 Cl21 108(2) . . ?
Cl22 C203 H20G 110.0 . . ?
Cl22 C203 H20H 110.0 . . ?
H20G C203 H20H 108.4 . . ?


_ins_header                      
;
TITL HB_67-3_scale in P2/c 
REM P2/c (#13 in standard setting)
CELL 0.71073  23.977975  18.692969  23.826558  90.0000  97.0970  90.0000
ZERR    8.00   0.000490   0.000245   0.000377   0.0000   0.0017   0.0000
LATT  1
SYMM -x, y,-z+1/2 
SFAC C H B N P Rh
UNIT 392.00 368.00 16.00 64.00 16.00 16.00
TREF
HKLF 4
END
;
_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 1.140
_oxdiff_exptl_absorpt_empirical_full_min 0.908
