# Electronic Supplementary Material (ESI) for Organic & Biomolecular Chemistry.
# 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_wyh-mzl-cat-3-dcm
_database_code_depnum_ccdc_archive 'CCDC 1842999'
_audit_update_record             
;
2018-05-14 deposited with the CCDC.
2018-09-20 downloaded from the CCDC.
;
_audit_creation_date             2017-10-26
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.03.28 svn.r3405 for OlexSys, GUI svn.r5337)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C44 H66 O8 P2 Rh2'
_chemical_formula_sum            'C44 H66 O8 P2 Rh2'
_chemical_formula_weight         990.72
_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'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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                   8.9977(4)
_cell_length_b                   10.0861(6)
_cell_length_c                   14.7007(6)
_cell_angle_alpha                86.402(4)
_cell_angle_beta                 72.916(4)
_cell_angle_gamma                65.810(5)
_cell_volume                     1160.72(11)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    5713
_cell_measurement_temperature    294.24(10)
_cell_measurement_theta_max      72.6410
_cell_measurement_theta_min      5.5810
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    6.788
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.22375
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'dull reddish red'
_exptl_crystal_colour_lustre     dull
_exptl_crystal_colour_modifier   reddish
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.417
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             514
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.2
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0385
_diffrn_reflns_av_unetI/netI     0.0349
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.978
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            12821
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.978
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         72.676
_diffrn_reflns_theta_min         4.817
_diffrn_ambient_environment      air
_diffrn_ambient_temperature      294.24(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 15.9595
_diffrn_detector_type            EosS2
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega  -34.00   60.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -       36.4171  -26.0000   45.0000 94

#__ type_ start__ end____ width___ exp.time_
  2 omega   13.00  107.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -       36.4171   26.0000 -150.0000 94

#__ type_ start__ end____ width___ exp.time_
  3 omega   38.00   92.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -26.0000   45.0000 54

#__ type_ start__ end____ width___ exp.time_
  4 omega   85.00  178.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000   26.0000 -150.0000 93

#__ type_ start__ end____ width___ exp.time_
  5 omega   23.00   90.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -       36.4171 -125.0000 -180.0000 67

#__ type_ start__ end____ width___ exp.time_
  6 omega    1.00   75.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -       36.4171  -99.0000   90.0000 74

#__ type_ start__ end____ width___ exp.time_
  7 omega   20.00  104.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -       36.4171   57.0000   60.0000 84

#__ type_ start__ end____ width___ exp.time_
  8 omega   20.00  104.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -       36.4171   57.0000  -30.0000 84

#__ type_ start__ end____ width___ exp.time_
  9 omega  -31.00   63.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -       36.4171  -77.0000  150.0000 94

#__ type_ start__ end____ width___ exp.time_
 10 omega   23.00   90.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -       36.4171 -125.0000   30.0000 67

#__ type_ start__ end____ width___ exp.time_
 11 omega  -31.00   53.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -       36.4171  -57.0000 -150.0000 84

#__ type_ start__ end____ width___ exp.time_
 12 omega   38.00   91.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -30.0000  -90.0000 53

#__ type_ start__ end____ width___ exp.time_
 13 omega   40.00   98.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -45.0000  -30.0000 58

#__ type_ start__ end____ width___ exp.time_
 14 omega   38.00   91.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -30.0000 -150.0000 53

#__ type_ start__ end____ width___ exp.time_
 15 omega   39.00  109.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -94.0000    0.0000 70

#__ type_ start__ end____ width___ exp.time_
 16 omega   38.00  116.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000 -111.0000 -150.0000 78

#__ type_ start__ end____ width___ exp.time_
 17 omega   37.00  146.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -15.0000 -180.0000 109

#__ type_ start__ end____ width___ exp.time_
 18 omega   38.00  116.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000 -111.0000  -90.0000 78

#__ type_ start__ end____ width___ exp.time_
 19 omega   38.00   91.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -30.0000    0.0000 53

#__ type_ start__ end____ width___ exp.time_
 20 omega   40.00   98.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -45.0000   60.0000 58

#__ type_ start__ end____ width___ exp.time_
 21 omega   38.00   91.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -30.0000   90.0000 53

#__ type_ start__ end____ width___ exp.time_
 22 omega   40.00   98.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -45.0000  150.0000 58

#__ type_ start__ end____ width___ exp.time_
 23 omega   39.00  109.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -94.0000   90.0000 70

#__ type_ start__ end____ width___ exp.time_
 24 omega   38.00   91.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -30.0000  -60.0000 53

#__ type_ start__ end____ width___ exp.time_
 25 omega   40.00  135.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -77.0000 -120.0000 95

#__ type_ start__ end____ width___ exp.time_
 26 omega   10.00  104.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -       36.4171   77.0000   90.0000 94

#__ type_ start__ end____ width___ exp.time_
 27 omega   10.00  104.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -       36.4171   77.0000    0.0000 94

#__ type_ start__ end____ width___ exp.time_
 28 omega  -31.00   53.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -       36.4171  -57.0000  -90.0000 84

#__ type_ start__ end____ width___ exp.time_
 29 omega   10.00  104.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -       36.4171   77.0000  -90.0000 94

#__ type_ start__ end____ width___ exp.time_
 30 omega  -33.00   55.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -       36.4171  -38.0000  -30.0000 88

#__ type_ start__ end____ width___ exp.time_
 31 omega   10.00  104.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -       36.4171   77.0000  150.0000 94

#__ type_ start__ end____ width___ exp.time_
 32 omega   10.00  104.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -       36.4171   77.0000 -150.0000 94
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'New Gemini, Dual, Cu at zero, EosS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      -0.0036571000
_diffrn_orient_matrix_UB_12      0.1484600000
_diffrn_orient_matrix_UB_13      0.0229322000
_diffrn_orient_matrix_UB_21      -0.1578052000
_diffrn_orient_matrix_UB_22      0.0780252000
_diffrn_orient_matrix_UB_23      -0.0354044000
_diffrn_orient_matrix_UB_31      -0.1168722000
_diffrn_orient_matrix_UB_32      0.0056814000
_diffrn_orient_matrix_UB_33      0.1014532000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'Enhance (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3970
_reflns_number_total             4516
_reflns_odcompleteness_completeness 99.88
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_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, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_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         0.628
_refine_diff_density_min         -1.140
_refine_diff_density_rms         0.102
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     255
_refine_ls_number_reflns         4516
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0466
_refine_ls_R_factor_gt           0.0422
_refine_ls_restrained_S_all      1.035
_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)+(0.0803P)²+0.1907P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1138
_refine_ls_wR_factor_ref         0.1200
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C007(H007), C008(H008)
2.b Secondary CH2 refined with riding coordinates:
 C00C(H00A,H00B), C00D(H00C,H00D), C00F(H00F,H00G), C00G(H00H,H00I), C00H(H00J,
 H00K), C00K(H00P,H00Q), C00L(H00R,H00S), C00M(H00T,H00U), C00N(H00V,H00W),
 C00O(H00X,H00Y)
2.c Aromatic/amide H refined with riding coordinates:
 C00E(H00E), C00I(H00L), C00Q(H00), C00R(H0AA), C00S(H1AA)
2.d Idealised Me refined as rotating group:
 C00J(H00M,H00N,H00O), C00P(H00Z,H,HA)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh01 Rh 0.46183(3) 0.45072(2) 0.57761(2) 0.03146(12) Uani 1 1 d . . . . .
P002 P 0.38710(10) 0.35464(8) 0.73764(5) 0.03214(19) Uani 1 1 d . . . . .
O003 O 0.6155(4) 0.5247(3) 0.61724(18) 0.0474(6) Uani 1 1 d . . . . .
O004 O 0.2599(3) 0.6484(3) 0.61831(17) 0.0448(6) Uani 1 1 d . . . . .
O005 O 0.3291(3) 0.7400(3) 0.47720(18) 0.0500(7) Uani 1 1 d . . . . .
O006 O 0.6877(4) 0.6135(3) 0.47498(19) 0.0517(7) Uani 1 1 d . . . . .
C007 C 0.1834(4) 0.4736(4) 0.8230(2) 0.0397(7) Uani 1 1 d . . . . .
H007 H 0.1674 0.4236 0.8821 0.048 Uiso 1 1 calc R . . . .
C008 C 0.5469(4) 0.3234(4) 0.8009(2) 0.0398(7) Uani 1 1 d . . . . .
H008 H 0.5611 0.4150 0.7971 0.048 Uiso 1 1 calc R . . . .
C009 C 0.3708(4) 0.1787(3) 0.7382(2) 0.0392(7) Uani 1 1 d . . . . .
C00A C 0.2360(5) 0.7464(4) 0.5609(2) 0.0466(8) Uani 1 1 d . . . . .
C00B C 0.6955(5) 0.5857(4) 0.5588(3) 0.0503(9) Uani 1 1 d . . . . .
C00C C 0.1813(5) 0.6199(4) 0.8473(2) 0.0466(8) Uani 1 1 d . . . . .
H00A H 0.2698 0.6031 0.8771 0.056 Uiso 1 1 calc R . . . .
H00B H 0.2058 0.6677 0.7889 0.056 Uiso 1 1 calc R . . . .
C00D C 0.0365(4) 0.4975(4) 0.7830(3) 0.0505(9) Uani 1 1 d . . . . .
H00C H 0.0357 0.4042 0.7712 0.061 Uiso 1 1 calc R . . . .
H00D H 0.0531 0.5424 0.7226 0.061 Uiso 1 1 calc R . . . .
C00E C 0.3085(5) 0.1200(4) 0.8216(3) 0.0519(9) Uani 1 1 d . . . . .
H00E H 0.2692 0.1715 0.8802 0.062 Uiso 1 1 calc R . . . .
C00F C 0.5023(5) 0.3012(5) 0.9051(3) 0.0560(10) Uani 1 1 d . . . . .
H00F H 0.4825 0.2131 0.9149 0.067 Uiso 1 1 calc R . . . .
H00G H 0.3969 0.3821 0.9374 0.067 Uiso 1 1 calc R . . . .
C00G C 0.7196(5) 0.2129(5) 0.7469(3) 0.0613(11) Uani 1 1 d . . . . .
H00H H 0.7150 0.1187 0.7447 0.074 Uiso 1 1 calc R . . . .
H00I H 0.7500 0.2404 0.6819 0.074 Uiso 1 1 calc R . . . .
C00H C 0.0100(6) 0.7184(4) 0.9139(3) 0.0618(11) Uani 1 1 d . . . . .
H00J H -0.0071 0.6764 0.9752 0.074 Uiso 1 1 calc R . . . .
H00K H 0.0106 0.8124 0.9237 0.074 Uiso 1 1 calc R . . . .
C00I C 0.3056(6) -0.0181(5) 0.8164(4) 0.0605(11) Uani 1 1 d . . . . .
H00L H 0.2566 -0.0545 0.8712 0.073 Uiso 1 1 calc R . . . .
C00J C 0.0812(6) 0.8861(5) 0.5958(3) 0.0766(15) Uani 1 1 d . . . . .
H00M H -0.0124 0.8823 0.5790 0.115 Uiso 1 1 calc GR . . . .
H00N H 0.1048 0.9661 0.5668 0.115 Uiso 1 1 calc GR . . . .
H00O H 0.0522 0.8992 0.6638 0.115 Uiso 1 1 calc GR . . . .
C00K C -0.1348(5) 0.5950(5) 0.8523(3) 0.0651(11) Uani 1 1 d . . . . .
H00P H -0.2254 0.6116 0.8241 0.078 Uiso 1 1 calc R . . . .
H00Q H -0.1559 0.5463 0.9106 0.078 Uiso 1 1 calc R . . . .
C00L C -0.1364(6) 0.7401(5) 0.8755(3) 0.0690(12) Uani 1 1 d . . . . .
H00R H -0.1279 0.7935 0.8183 0.083 Uiso 1 1 calc R . . . .
H00S H -0.2434 0.7973 0.9224 0.083 Uiso 1 1 calc R . . . .
C00M C 0.8542(5) 0.2000(6) 0.7915(4) 0.0736(14) Uani 1 1 d . . . . .
H00T H 0.9588 0.1179 0.7598 0.088 Uiso 1 1 calc R . . . .
H00U H 0.8760 0.2871 0.7808 0.088 Uiso 1 1 calc R . . . .
C00N C 0.6377(6) 0.2892(6) 0.9495(3) 0.0700(12) Uani 1 1 d . . . . .
H00V H 0.6413 0.3837 0.9520 0.084 Uiso 1 1 calc R . . . .
H00W H 0.6085 0.2609 1.0145 0.084 Uiso 1 1 calc R . . . .
C00O C 0.8096(6) 0.1804(6) 0.8950(4) 0.0845(17) Uani 1 1 d . . . . .
H00X H 0.8947 0.1878 0.9200 0.101 Uiso 1 1 calc R . . . .
H00Y H 0.8131 0.0834 0.9050 0.101 Uiso 1 1 calc R . . . .
C00P C 0.8156(7) 0.6276(7) 0.5907(4) 0.0882(18) Uani 1 1 d . . . . .
H00Z H 0.7512 0.7063 0.6390 0.132 Uiso 1 1 calc GR . . . .
H H 0.8832 0.6579 0.5373 0.132 Uiso 1 1 calc GR . . . .
HA H 0.8889 0.5454 0.6162 0.132 Uiso 1 1 calc GR . . . .
C00Q C 0.4372(9) 0.0955(5) 0.6534(3) 0.0853(18) Uani 1 1 d . . . . .
H00 H 0.4859 0.1305 0.5978 0.102 Uiso 1 1 calc R . . . .
C00R C 0.4327(9) -0.0410(6) 0.6498(4) 0.0957(19) Uani 1 1 d . . . . .
H0AA H 0.4698 -0.0926 0.5914 0.115 Uiso 1 1 calc R . . . .
C00S C 0.3739(8) -0.0983(5) 0.7317(4) 0.0908(18) Uani 1 1 d . . . . .
H1AA H 0.3806 -0.1926 0.7298 0.109 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
Rh01 Rh01 2.4537(4) 2_666 ?
Rh01 P002 2.4988(8) . ?
Rh01 O003 2.045(2) . ?
Rh01 O004 2.044(2) . ?
Rh01 O005 2.056(2) 2_666 ?
Rh01 O006 2.054(2) 2_666 ?
P002 C007 1.846(3) . ?
P002 C008 1.846(3) . ?
P002 C009 1.839(3) . ?
O003 C00B 1.253(5) . ?
O004 C00A 1.250(4) . ?
O005 Rh01 2.056(2) 2_666 ?
O005 C00A 1.257(4) . ?
O006 Rh01 2.054(2) 2_666 ?
O006 C00B 1.262(5) . ?
C007 H007 0.9800 . ?
C007 C00C 1.531(5) . ?
C007 C00D 1.527(5) . ?
C008 H008 0.9800 . ?
C008 C00F 1.493(5) . ?
C008 C00G 1.502(5) . ?
C009 C00E 1.395(5) . ?
C009 C00Q 1.377(5) . ?
C00A C00J 1.500(5) . ?
C00B C00P 1.505(5) . ?
C00C H00A 0.9700 . ?
C00C H00B 0.9700 . ?
C00C C00H 1.517(5) . ?
C00D H00C 0.9700 . ?
C00D H00D 0.9700 . ?
C00D C00K 1.530(5) . ?
C00E H00E 0.9300 . ?
C00E C00I 1.411(5) . ?
C00F H00F 0.9700 . ?
C00F H00G 0.9700 . ?
C00F C00N 1.504(5) . ?
C00G H00H 0.9700 . ?
C00G H00I 0.9700 . ?
C00G C00M 1.497(5) . ?
C00H H00J 0.9700 . ?
C00H H00K 0.9700 . ?
C00H C00L 1.512(6) . ?
C00I H00L 0.9300 . ?
C00I C00S 1.361(7) . ?
C00J H00M 0.9600 . ?
C00J H00N 0.9600 . ?
C00J H00O 0.9600 . ?
C00K H00P 0.9700 . ?
C00K H00Q 0.9700 . ?
C00K C00L 1.516(6) . ?
C00L H00R 0.9700 . ?
C00L H00S 0.9700 . ?
C00M H00T 0.9700 . ?
C00M H00U 0.9700 . ?
C00M C00O 1.478(8) . ?
C00N H00V 0.9700 . ?
C00N H00W 0.9700 . ?
C00N C00O 1.493(6) . ?
C00O H00X 0.9700 . ?
C00O H00Y 0.9700 . ?
C00P H00Z 0.9600 . ?
C00P H 0.9600 . ?
C00P HA 0.9600 . ?
C00Q H00 0.9300 . ?
C00Q C00R 1.398(6) . ?
C00R H0AA 0.9300 . ?
C00R C00S 1.362(8) . ?
C00S H1AA 0.9300 . ?

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
Rh01 Rh01 P002 178.38(2) 2_666 . ?
O003 Rh01 Rh01 87.09(7) . 2_666 ?
O003 Rh01 P002 91.36(7) . . ?
O003 Rh01 O005 89.07(12) . 2_666 ?
O003 Rh01 O006 174.15(9) . 2_666 ?
O004 Rh01 Rh01 86.79(7) . 2_666 ?
O004 Rh01 P002 92.77(7) . . ?
O004 Rh01 O003 90.95(12) . . ?
O004 Rh01 O005 174.00(8) . 2_666 ?
O004 Rh01 O006 88.25(12) . 2_666 ?
O005 Rh01 Rh01 87.22(7) 2_666 2_666 ?
O005 Rh01 P002 93.23(7) 2_666 . ?
O006 Rh01 Rh01 87.09(7) 2_666 2_666 ?
O006 Rh01 P002 94.46(8) 2_666 . ?
O006 Rh01 O005 91.13(12) 2_666 2_666 ?
C007 P002 Rh01 115.78(11) . . ?
C008 P002 Rh01 112.27(11) . . ?
C008 P002 C007 104.06(15) . . ?
C009 P002 Rh01 116.05(11) . . ?
C009 P002 C007 103.40(15) . . ?
C009 P002 C008 103.84(15) . . ?
C00B O003 Rh01 119.9(2) . . ?
C00A O004 Rh01 120.3(2) . . ?
C00A O005 Rh01 119.1(2) . 2_666 ?
C00B O006 Rh01 119.3(2) . 2_666 ?
P002 C007 H007 108.1 . . ?
C00C C007 P002 112.4(2) . . ?
C00C C007 H007 108.1 . . ?
C00D C007 P002 109.6(2) . . ?
C00D C007 H007 108.1 . . ?
C00D C007 C00C 110.4(3) . . ?
P002 C008 H008 103.9 . . ?
C00F C008 P002 118.9(2) . . ?
C00F C008 H008 103.9 . . ?
C00F C008 C00G 112.3(3) . . ?
C00G C008 P002 111.8(2) . . ?
C00G C008 H008 103.9 . . ?
C00E C009 P002 122.9(3) . . ?
C00Q C009 P002 118.3(3) . . ?
C00Q C009 C00E 118.5(3) . . ?
O004 C00A O005 126.6(3) . . ?
O004 C00A C00J 116.7(3) . . ?
O005 C00A C00J 116.7(3) . . ?
O003 C00B O006 126.5(3) . . ?
O003 C00B C00P 116.9(4) . . ?
O006 C00B C00P 116.5(4) . . ?
C007 C00C H00A 109.3 . . ?
C007 C00C H00B 109.3 . . ?
H00A C00C H00B 108.0 . . ?
C00H C00C C007 111.5(3) . . ?
C00H C00C H00A 109.3 . . ?
C00H C00C H00B 109.3 . . ?
C007 C00D H00C 109.4 . . ?
C007 C00D H00D 109.4 . . ?
C007 C00D C00K 111.0(3) . . ?
H00C C00D H00D 108.0 . . ?
C00K C00D H00C 109.4 . . ?
C00K C00D H00D 109.4 . . ?
C009 C00E H00E 120.2 . . ?
C009 C00E C00I 119.6(4) . . ?
C00I C00E H00E 120.2 . . ?
C008 C00F H00F 108.8 . . ?
C008 C00F H00G 108.8 . . ?
C008 C00F C00N 113.6(3) . . ?
H00F C00F H00G 107.7 . . ?
C00N C00F H00F 108.8 . . ?
C00N C00F H00G 108.8 . . ?
C008 C00G H00H 109.2 . . ?
C008 C00G H00I 109.2 . . ?
H00H C00G H00I 107.9 . . ?
C00M C00G C008 112.2(3) . . ?
C00M C00G H00H 109.2 . . ?
C00M C00G H00I 109.2 . . ?
C00C C00H H00J 109.1 . . ?
C00C C00H H00K 109.1 . . ?
H00J C00H H00K 107.8 . . ?
C00L C00H C00C 112.4(3) . . ?
C00L C00H H00J 109.1 . . ?
C00L C00H H00K 109.1 . . ?
C00E C00I H00L 119.8 . . ?
C00S C00I C00E 120.4(4) . . ?
C00S C00I H00L 119.8 . . ?
C00A C00J H00M 109.5 . . ?
C00A C00J H00N 109.5 . . ?
C00A C00J H00O 109.5 . . ?
H00M C00J H00N 109.5 . . ?
H00M C00J H00O 109.5 . . ?
H00N C00J H00O 109.5 . . ?
C00D C00K H00P 109.4 . . ?
C00D C00K H00Q 109.4 . . ?
H00P C00K H00Q 108.0 . . ?
C00L C00K C00D 111.1(3) . . ?
C00L C00K H00P 109.4 . . ?
C00L C00K H00Q 109.4 . . ?
C00H C00L C00K 111.0(4) . . ?
C00H C00L H00R 109.4 . . ?
C00H C00L H00S 109.4 . . ?
C00K C00L H00R 109.4 . . ?
C00K C00L H00S 109.4 . . ?
H00R C00L H00S 108.0 . . ?
C00G C00M H00T 108.7 . . ?
C00G C00M H00U 108.7 . . ?
H00T C00M H00U 107.6 . . ?
C00O C00M C00G 114.1(4) . . ?
C00O C00M H00T 108.7 . . ?
C00O C00M H00U 108.7 . . ?
C00F C00N H00V 109.2 . . ?
C00F C00N H00W 109.2 . . ?
H00V C00N H00W 107.9 . . ?
C00O C00N C00F 112.0(4) . . ?
C00O C00N H00V 109.2 . . ?
C00O C00N H00W 109.2 . . ?
C00M C00O C00N 113.4(4) . . ?
C00M C00O H00X 108.9 . . ?
C00M C00O H00Y 108.9 . . ?
C00N C00O H00X 108.9 . . ?
C00N C00O H00Y 108.9 . . ?
H00X C00O H00Y 107.7 . . ?
C00B C00P H00Z 109.5 . . ?
C00B C00P H 109.5 . . ?
C00B C00P HA 109.5 . . ?
H00Z C00P H 109.5 . . ?
H00Z C00P HA 109.5 . . ?
H C00P HA 109.5 . . ?
C009 C00Q H00 119.5 . . ?
C009 C00Q C00R 121.0(5) . . ?
C00R C00Q H00 119.5 . . ?
C00Q C00R H0AA 120.0 . . ?
C00S C00R C00Q 120.0(5) . . ?
C00S C00R H0AA 120.0 . . ?
C00I C00S C00R 120.2(4) . . ?
C00I C00S H1AA 119.9 . . ?
C00R C00S H1AA 119.9 . . ?

_olex2_date_sample_data_collection 2017-10-26
_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_wyh-mzl-cat-4
_database_code_depnum_ccdc_archive 'CCDC 1843000'
_audit_update_record             
;
2018-05-14 deposited with the CCDC.
2018-09-20 downloaded from the CCDC.
;
_audit_creation_date             2017-10-27
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.03.28 svn.r3405 for OlexSys, GUI svn.r5337)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C44 H54 O8 P2 Rh2'
_chemical_formula_sum            'C44 H54 O8 P2 Rh2'
_chemical_formula_weight         978.63
_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'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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                   8.7113(4)
_cell_length_b                   9.9865(5)
_cell_length_c                   14.7594(8)
_cell_angle_alpha                78.689(4)
_cell_angle_beta                 73.106(5)
_cell_angle_gamma                64.253(5)
_cell_volume                     1102.96(11)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    3661
_cell_measurement_temperature    294.24(10)
_cell_measurement_theta_max      71.8980
_cell_measurement_theta_min      4.9280
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    7.143
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.43283
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'dull reddish red'
_exptl_crystal_colour_lustre     dull
_exptl_crystal_colour_modifier   reddish
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.473
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             502
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.5
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0325
_diffrn_reflns_av_unetI/netI     0.0374
_diffrn_reflns_Laue_measured_fraction_full 0.971
_diffrn_reflns_Laue_measured_fraction_max 0.940
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            8322
_diffrn_reflns_point_group_measured_fraction_full 0.971
_diffrn_reflns_point_group_measured_fraction_max 0.940
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         72.464
_diffrn_reflns_theta_min         4.933
_diffrn_ambient_environment      air
_diffrn_ambient_temperature      294.24(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 15.9595
_diffrn_detector_type            EosS2
_diffrn_measured_fraction_theta_full 0.971
_diffrn_measured_fraction_theta_max 0.940
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega    9.00  104.00   1.0000    4.8500
omega____ theta____ kappa____ phi______ frames
    -       36.0421   77.0000  -60.0000 95

#__ type_ start__ end____ width___ exp.time_
  2 omega   19.00  103.00   1.0000    4.8500
omega____ theta____ kappa____ phi______ frames
    -       36.0421   57.0000 -120.0000 84

#__ type_ start__ end____ width___ exp.time_
  3 omega   19.00  103.00   1.0000    4.8500
omega____ theta____ kappa____ phi______ frames
    -       36.0421   57.0000   30.0000 84

#__ type_ start__ end____ width___ exp.time_
  4 omega  -32.00   63.00   1.0000    4.8500
omega____ theta____ kappa____ phi______ frames
    -       36.0421  -77.0000 -180.0000 95

#__ type_ start__ end____ width___ exp.time_
  5 omega   19.00  103.00   1.0000    4.8500
omega____ theta____ kappa____ phi______ frames
    -       36.0421   57.0000  120.0000 84

#__ type_ start__ end____ width___ exp.time_
  6 omega  -31.00   53.00   1.0000    4.8500
omega____ theta____ kappa____ phi______ frames
    -       36.0421  -57.0000  -90.0000 84

#__ type_ start__ end____ width___ exp.time_
  7 omega   40.00   98.00   1.0000   19.4100
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -45.0000  150.0000 58

#__ type_ start__ end____ width___ exp.time_
  8 omega   38.00   91.00   1.0000   19.4100
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -30.0000  -90.0000 53

#__ type_ start__ end____ width___ exp.time_
  9 omega   91.00  176.00   1.0000   19.4100
omega____ theta____ kappa____ phi______ frames
    -      108.0000   45.0000  -30.0000 85

#__ type_ start__ end____ width___ exp.time_
 10 omega   39.00  109.00   1.0000   19.4100
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -94.0000 -120.0000 70

#__ type_ start__ end____ width___ exp.time_
 11 omega   40.00   98.00   1.0000   19.4100
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -45.0000 -150.0000 58

#__ type_ start__ end____ width___ exp.time_
 12 omega   39.00  109.00   1.0000   19.4100
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -94.0000  -30.0000 70

#__ type_ start__ end____ width___ exp.time_
 13 omega   39.00  177.00   1.0000   19.4100
omega____ theta____ kappa____ phi______ frames
    -      108.0000    0.0000  -60.0000 138

#__ type_ start__ end____ width___ exp.time_
 14 omega   17.00  105.00   1.0000    4.8500
omega____ theta____ kappa____ phi______ frames
    -       36.0421   38.0000 -150.0000 88

#__ type_ start__ end____ width___ exp.time_
 15 omega  -31.00   53.00   1.0000    4.8500
omega____ theta____ kappa____ phi______ frames
    -       36.0421  -57.0000   90.0000 84

#__ type_ start__ end____ width___ exp.time_
 16 omega    9.00  102.00   1.0000    4.8500
omega____ theta____ kappa____ phi______ frames
    -       36.0421   77.0000   60.0000 93

#__ type_ start__ end____ width___ exp.time_
 17 omega    1.00   75.00   1.0000    4.8500
omega____ theta____ kappa____ phi______ frames
    -       36.0421  -99.0000   60.0000 74

#__ type_ start__ end____ width___ exp.time_
 18 omega   48.00   75.00   1.0000    4.8500
omega____ theta____ kappa____ phi______ frames
    -       36.6671  -99.0000  -60.0000 27

#__ type_ start__ end____ width___ exp.time_
 19 omega   38.00   63.00   1.0000    4.8500
omega____ theta____ kappa____ phi______ frames
    -       36.6671  -77.0000   60.0000 25

#__ type_ start__ end____ width___ exp.time_
 20 omega   73.00   98.00   1.0000    4.8500
omega____ theta____ kappa____ phi______ frames
    -       36.6671 -138.0000  121.0000 25

#__ type_ start__ end____ width___ exp.time_
 21 omega   60.00   88.00   1.0000   19.4100
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -45.0000   90.0000 28

#__ type_ start__ end____ width___ exp.time_
 22 omega   40.00   98.00   1.0000   19.4100
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -45.0000   30.0000 58

#__ type_ start__ end____ width___ exp.time_
 23 omega   62.00  102.00   1.0000   19.4100
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -94.0000 -180.0000 40

#__ type_ start__ end____ width___ exp.time_
 24 omega   62.00  112.00   1.0000   19.4100
omega____ theta____ kappa____ phi______ frames
    -      108.0000 -111.0000   30.0000 50

#__ type_ start__ end____ width___ exp.time_
 25 omega   59.00   85.00   1.0000   19.4100
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -30.0000   60.0000 26

#__ type_ start__ end____ width___ exp.time_
 26 omega   45.00   81.00   1.0000   19.4100
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -45.0000  -30.0000 36
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'New Gemini, Dual, Cu at zero, EosS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0849367000
_diffrn_orient_matrix_UB_12      -0.0679938000
_diffrn_orient_matrix_UB_13      -0.0966464000
_diffrn_orient_matrix_UB_21      0.0693484000
_diffrn_orient_matrix_UB_22      -0.1570019000
_diffrn_orient_matrix_UB_23      0.0512787000
_diffrn_orient_matrix_UB_31      -0.1694991000
_diffrn_orient_matrix_UB_32      -0.0159835000
_diffrn_orient_matrix_UB_33      0.0028635000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'Enhance (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3398
_reflns_number_total             4120
_reflns_odcompleteness_completeness 97.09
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_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, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_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         1.304
_refine_diff_density_min         -0.980
_refine_diff_density_rms         0.117
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     255
_refine_ls_number_reflns         4120
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0626
_refine_ls_R_factor_gt           0.0538
_refine_ls_restrained_S_all      1.030
_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)+(0.1115P)²+0.2632P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1420
_refine_ls_wR_factor_ref         0.1563
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C00B(H00B)
2.b Secondary CH2 refined with riding coordinates:
 C00C(H00A,H00C), C00M(H00Q,H00R), C00O(H00T,H00U), C00Q(H00W,H00X), C00S(H00Z,
 H)
2.c Aromatic/amide H refined with riding coordinates:
 C00D(H00D), C00E(H00E), C00F(H00F), C00H(H00J), C00I(H00K), C00J(H00L),
 C00K(H00M), C00N(H00S), C00P(H00V), C00R(H00Y)
2.d Idealised Me refined as rotating group:
 C00G(H00G,H00H,H00I), C00L(H00N,H00O,H00P)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh01 Rh 0.58435(4) 0.44989(3) 0.42296(2) 0.03977(16) Uani 1 1 d . . . . .
P002 P 0.75329(15) 0.35520(13) 0.26418(8) 0.0419(3) Uani 1 1 d . . . . .
O003 O 0.4441(5) 0.7468(4) 0.5202(2) 0.0557(9) Uani 1 1 d . . . . .
O004 O 0.1969(4) 0.6160(5) 0.5262(3) 0.0570(9) Uani 1 1 d . . . . .
O005 O 0.3523(5) 0.5267(5) 0.3839(3) 0.0560(9) Uani 1 1 d . . . . .
O006 O 0.5985(5) 0.6528(4) 0.3795(2) 0.0547(8) Uani 1 1 d . . . . .
C007 C 0.5292(7) 0.7526(6) 0.4362(3) 0.0542(11) Uani 1 1 d . . . . .
C008 C 0.2118(7) 0.5899(7) 0.4432(4) 0.0569(12) Uani 1 1 d . . . . .
C009 C 0.6327(7) 0.3160(6) 0.1971(3) 0.0530(11) Uani 1 1 d . . . . .
C00A C 0.9469(7) 0.1776(6) 0.2621(4) 0.0536(11) Uani 1 1 d . . . . .
C00B C 0.8446(8) 0.4819(7) 0.1820(4) 0.0604(13) Uani 1 1 d . . . . .
H00B H 0.9060 0.4311 0.1233 0.072 Uiso 1 1 calc R . . . .
C00C C 0.7107(8) 0.6268(6) 0.1536(4) 0.0631(13) Uani 1 1 d . . . . .
H00A H 0.6325 0.6752 0.2104 0.076 Uiso 1 1 calc R . . . .
H00C H 0.6414 0.6080 0.1207 0.076 Uiso 1 1 calc R . . . .
C00D C 0.5244(9) 0.2426(7) 0.2489(4) 0.0683(15) Uani 1 1 d . . . . .
H00D H 0.5112 0.2221 0.3143 0.082 Uiso 1 1 calc R . . . .
C00E C 0.4372(10) 0.2008(8) 0.2019(5) 0.0781(18) Uani 1 1 d . . . . .
H00E H 0.3564 0.1614 0.2367 0.094 Uiso 1 1 calc R . . . .
C00F C 0.6623(9) 0.3321(8) 0.0991(4) 0.0700(15) Uani 1 1 d . . . . .
H00F H 0.7442 0.3701 0.0638 0.084 Uiso 1 1 calc R . . . .
C00G C 0.5559(11) 0.8939(7) 0.3970(5) 0.082(2) Uani 1 1 d . . . . .
H00G H 0.4509 0.9783 0.4195 0.123 Uiso 1 1 calc GR . . . .
H00H H 0.5829 0.9002 0.3288 0.123 Uiso 1 1 calc GR . . . .
H00I H 0.6511 0.8933 0.4177 0.123 Uiso 1 1 calc GR . . . .
C00H C 1.0486(9) 0.1098(7) 0.1785(5) 0.0753(17) Uani 1 1 d . . . . .
H00J H 1.0214 0.1561 0.1207 0.090 Uiso 1 1 calc R . . . .
C00I C 0.5720(10) 0.2927(9) 0.0518(5) 0.0811(19) Uani 1 1 d . . . . .
H00K H 0.5807 0.3166 -0.0132 0.097 Uiso 1 1 calc R . . . .
C00J C 1.2267(9) -0.0999(8) 0.2665(6) 0.091(2) Uani 1 1 d . . . . .
H00L H 1.3171 -0.1941 0.2684 0.109 Uiso 1 1 calc R . . . .
C00K C 0.9882(10) 0.1037(8) 0.3459(5) 0.087(2) Uani 1 1 d . . . . .
H00M H 0.9206 0.1461 0.4028 0.105 Uiso 1 1 calc R . . . .
C00L C 0.0431(8) 0.6382(10) 0.4124(5) 0.090(2) Uani 1 1 d . . . . .
H00N H 0.0232 0.5520 0.4096 0.135 Uiso 1 1 calc GR . . . .
H00O H 0.0514 0.6916 0.3508 0.135 Uiso 1 1 calc GR . . . .
H00P H -0.0526 0.7019 0.4573 0.135 Uiso 1 1 calc GR . . . .
C00M C 0.9797(9) 0.4977(8) 0.2132(6) 0.0803(18) Uani 1 1 d . . . . .
H00Q H 1.0730 0.3998 0.2190 0.096 Uiso 1 1 calc R . . . .
H00R H 0.9296 0.5343 0.2760 0.096 Uiso 1 1 calc R . . . .
C00N C 1.1909(10) -0.0270(9) 0.1808(6) 0.087(2) Uani 1 1 d . . . . .
H00S H 1.2619 -0.0693 0.1244 0.105 Uiso 1 1 calc R . . . .
C00O C 0.7872(12) 0.7301(9) 0.0909(5) 0.094(2) Uani 1 1 d . . . . .
H00T H 0.8340 0.6967 0.0273 0.113 Uiso 1 1 calc R . . . .
H00U H 0.6939 0.8287 0.0876 0.113 Uiso 1 1 calc R . . . .
C00P C 1.1298(10) -0.0337(8) 0.3476(6) 0.096(2) Uani 1 1 d . . . . .
H00V H 1.1578 -0.0803 0.4052 0.115 Uiso 1 1 calc R . . . .
C00Q C 1.0580(11) 0.5999(10) 0.1495(6) 0.095(2) Uani 1 1 d . . . . .
H00W H 1.1264 0.6203 0.1822 0.114 Uiso 1 1 calc R . . . .
H00X H 1.1366 0.5505 0.0931 0.114 Uiso 1 1 calc R . . . .
C00R C 0.4691(11) 0.2171(9) 0.1040(6) 0.090(2) Uani 1 1 d . . . . .
H00Y H 0.4216 0.1773 0.0730 0.108 Uiso 1 1 calc R . . . .
C00S C 0.9239(13) 0.7419(10) 0.1209(6) 0.105(3) Uani 1 1 d . . . . .
H00Z H 0.8701 0.8038 0.1740 0.126 Uiso 1 1 calc R . . . .
H H 0.9817 0.7928 0.0693 0.126 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
Rh01 Rh01 2.4506(6) 2_666 ?
Rh01 P002 2.4915(11) . ?
Rh01 O003 2.068(3) 2_666 ?
Rh01 O004 2.043(3) 2_666 ?
Rh01 O005 2.040(3) . ?
Rh01 O006 2.048(3) . ?
P002 C009 1.831(5) . ?
P002 C00A 1.839(5) . ?
P002 C00B 1.848(5) . ?
O003 Rh01 2.068(3) 2_666 ?
O003 C007 1.251(6) . ?
O004 Rh01 2.043(3) 2_666 ?
O004 C008 1.261(7) . ?
O005 C008 1.259(7) . ?
O006 C007 1.252(6) . ?
C007 C00G 1.506(8) . ?
C008 C00L 1.511(7) . ?
C009 C00D 1.405(8) . ?
C009 C00F 1.382(7) . ?
C00A C00H 1.392(8) . ?
C00A C00K 1.370(8) . ?
C00B H00B 0.9800 . ?
C00B C00C 1.487(8) . ?
C00B C00M 1.459(9) . ?
C00C H00A 0.9700 . ?
C00C H00C 0.9700 . ?
C00C C00O 1.493(9) . ?
C00D H00D 0.9300 . ?
C00D C00E 1.389(9) . ?
C00E H00E 0.9300 . ?
C00E C00R 1.379(10) . ?
C00F H00F 0.9300 . ?
C00F C00I 1.399(8) . ?
C00G H00G 0.9600 . ?
C00G H00H 0.9600 . ?
C00G H00I 0.9600 . ?
C00H H00J 0.9300 . ?
C00H C00N 1.393(9) . ?
C00I H00K 0.9300 . ?
C00I C00R 1.388(10) . ?
C00J H00L 0.9300 . ?
C00J C00N 1.378(11) . ?
C00J C00P 1.350(12) . ?
C00K H00M 0.9300 . ?
C00K C00P 1.392(9) . ?
C00L H00N 0.9600 . ?
C00L H00O 0.9600 . ?
C00L H00P 0.9600 . ?
C00M H00Q 0.9700 . ?
C00M H00R 0.9700 . ?
C00M C00Q 1.499(9) . ?
C00N H00S 0.9300 . ?
C00O H00T 0.9700 . ?
C00O H00U 0.9700 . ?
C00O C00S 1.440(12) . ?
C00P H00V 0.9300 . ?
C00Q H00W 0.9700 . ?
C00Q H00X 0.9700 . ?
C00Q C00S 1.472(12) . ?
C00R H00Y 0.9300 . ?
C00S H00Z 0.9700 . ?
C00S H 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
Rh01 Rh01 P002 178.41(3) 2_666 . ?
O003 Rh01 Rh01 87.51(10) 2_666 2_666 ?
O003 Rh01 P002 93.93(10) 2_666 . ?
O004 Rh01 Rh01 86.70(10) 2_666 2_666 ?
O004 Rh01 P002 93.93(11) 2_666 . ?
O004 Rh01 O003 91.23(16) 2_666 2_666 ?
O004 Rh01 O006 88.43(17) 2_666 . ?
O005 Rh01 Rh01 87.72(10) . 2_666 ?
O005 Rh01 P002 91.63(11) . . ?
O005 Rh01 O003 89.35(16) . 2_666 ?
O005 Rh01 O004 174.36(13) . 2_666 ?
O005 Rh01 O006 90.44(17) . . ?
O006 Rh01 Rh01 86.80(10) . 2_666 ?
O006 Rh01 P002 91.76(10) . . ?
O006 Rh01 O003 174.31(13) . 2_666 ?
C009 P002 Rh01 115.76(17) . . ?
C009 P002 C00A 101.2(2) . . ?
C009 P002 C00B 104.6(2) . . ?
C00A P002 Rh01 116.77(17) . . ?
C00A P002 C00B 102.5(3) . . ?
C00B P002 Rh01 114.1(2) . . ?
C007 O003 Rh01 118.1(3) . 2_666 ?
C008 O004 Rh01 119.9(3) . 2_666 ?
C008 O005 Rh01 119.0(3) . . ?
C007 O006 Rh01 119.9(3) . . ?
O003 C007 O006 127.6(5) . . ?
O003 C007 C00G 117.6(5) . . ?
O006 C007 C00G 114.7(5) . . ?
O004 C008 C00L 116.4(5) . . ?
O005 C008 O004 126.7(5) . . ?
O005 C008 C00L 117.0(5) . . ?
C00D C009 P002 116.2(4) . . ?
C00F C009 P002 124.4(4) . . ?
C00F C009 C00D 118.6(5) . . ?
C00H C00A P002 122.5(4) . . ?
C00K C00A P002 119.4(4) . . ?
C00K C00A C00H 118.0(5) . . ?
P002 C00B H00B 105.0 . . ?
C00C C00B P002 114.4(4) . . ?
C00C C00B H00B 105.0 . . ?
C00M C00B P002 112.8(4) . . ?
C00M C00B H00B 105.0 . . ?
C00M C00B C00C 113.3(5) . . ?
C00B C00C H00A 108.9 . . ?
C00B C00C H00C 108.9 . . ?
C00B C00C C00O 113.5(6) . . ?
H00A C00C H00C 107.7 . . ?
C00O C00C H00A 108.9 . . ?
C00O C00C H00C 108.9 . . ?
C009 C00D H00D 120.2 . . ?
C00E C00D C009 119.6(6) . . ?
C00E C00D H00D 120.2 . . ?
C00D C00E H00E 119.7 . . ?
C00R C00E C00D 120.7(6) . . ?
C00R C00E H00E 119.7 . . ?
C009 C00F H00F 119.2 . . ?
C009 C00F C00I 121.6(6) . . ?
C00I C00F H00F 119.2 . . ?
C007 C00G H00G 109.5 . . ?
C007 C00G H00H 109.5 . . ?
C007 C00G H00I 109.5 . . ?
H00G C00G H00H 109.5 . . ?
H00G C00G H00I 109.5 . . ?
H00H C00G H00I 109.5 . . ?
C00A C00H H00J 119.8 . . ?
C00A C00H C00N 120.4(6) . . ?
C00N C00H H00J 119.8 . . ?
C00F C00I H00K 120.8 . . ?
C00R C00I C00F 118.4(6) . . ?
C00R C00I H00K 120.8 . . ?
C00N C00J H00L 120.2 . . ?
C00P C00J H00L 120.2 . . ?
C00P C00J C00N 119.6(6) . . ?
C00A C00K H00M 119.4 . . ?
C00A C00K C00P 121.2(7) . . ?
C00P C00K H00M 119.4 . . ?
C008 C00L H00N 109.5 . . ?
C008 C00L H00O 109.5 . . ?
C008 C00L H00P 109.5 . . ?
H00N C00L H00O 109.5 . . ?
H00N C00L H00P 109.5 . . ?
H00O C00L H00P 109.5 . . ?
C00B C00M H00Q 108.5 . . ?
C00B C00M H00R 108.5 . . ?
C00B C00M C00Q 115.2(6) . . ?
H00Q C00M H00R 107.5 . . ?
C00Q C00M H00Q 108.5 . . ?
C00Q C00M H00R 108.5 . . ?
C00H C00N H00S 120.0 . . ?
C00J C00N C00H 120.1(7) . . ?
C00J C00N H00S 120.0 . . ?
C00C C00O H00T 108.5 . . ?
C00C C00O H00U 108.5 . . ?
H00T C00O H00U 107.5 . . ?
C00S C00O C00C 115.0(6) . . ?
C00S C00O H00T 108.5 . . ?
C00S C00O H00U 108.5 . . ?
C00J C00P C00K 120.7(7) . . ?
C00J C00P H00V 119.7 . . ?
C00K C00P H00V 119.7 . . ?
C00M C00Q H00W 109.1 . . ?
C00M C00Q H00X 109.1 . . ?
H00W C00Q H00X 107.9 . . ?
C00S C00Q C00M 112.3(7) . . ?
C00S C00Q H00W 109.1 . . ?
C00S C00Q H00X 109.1 . . ?
C00E C00R C00I 120.3(6) . . ?
C00E C00R H00Y 119.9 . . ?
C00I C00R H00Y 119.9 . . ?
C00O C00S C00Q 115.8(7) . . ?
C00O C00S H00Z 108.3 . . ?
C00O C00S H 108.3 . . ?
C00Q C00S H00Z 108.3 . . ?
C00Q C00S H 108.3 . . ?
H00Z C00S H 107.4 . . ?

_olex2_date_sample_data_collection 2017-10-26
_olex2_submission_special_instructions 'No special instructions were received'
