# Electronic Supplementary Material (ESI) for Chemical Communications.
# This journal is © The Royal Society of Chemistry 2022

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
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data_ap1217_sq
_database_code_depnum_ccdc_archive 'CCDC 2113811'
loop_
_audit_author_name
_audit_author_address
'Nathan Coles'
;FU Berlin
Germany
;
_audit_update_record             
;
2021-10-04 deposited with the CCDC.	2022-04-13 downloaded from the CCDC.
;
_audit_creation_date             2021-10-04
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6403)
;
_shelx_SHELXL_version_number     2018/3
loop_
_audit_author_email
N.T.Coles@fu-berlin.de
weber@chemie.fu-berlin.de
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C32 H12 B F24, C66 H58 Cr2 O6 P2 Rh'
_chemical_formula_sum            'C98 H70 B Cr2 F24 O6 P2 Rh'
_chemical_formula_weight         2079.20
_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'
B B 0.0090 0.0039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cr Cr -0.1635 2.4439 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   10.25337(7)
_cell_length_b                   32.9923(2)
_cell_length_c                   29.7568(2)
_cell_angle_alpha                90
_cell_angle_beta                 92.1304(4)
_cell_angle_gamma                90
_cell_volume                     10059.25(13)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9405
_cell_measurement_temperature    102.6
_cell_measurement_theta_max      72.575
_cell_measurement_theta_min      3.074
_shelx_estimated_absorpt_T_max   0.850
_shelx_estimated_absorpt_T_min   0.184
_exptl_absorpt_coefficient_mu    4.189
_exptl_absorpt_correction_T_max  0.4696
_exptl_absorpt_correction_T_min  0.2458
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1606 before and 0.1112 after correction.
The Ratio of minimum to maximum transmission is 0.5234.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            red
_exptl_crystal_description       needle
_exptl_crystal_density_diffrn    1.373
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_F_000             4200
_exptl_crystal_size_max          0.61
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.04
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0878
_diffrn_reflns_av_unetI/netI     0.0650
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.985
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       40
_diffrn_reflns_limit_k_min       -39
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_number            93226
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.985
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         72.442
_diffrn_reflns_theta_min         2.000
_diffrn_ambient_temperature      102.6
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'Bruker Photon CMOS Detector, D8 Venture'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                17084
_reflns_number_total             19639
_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       'SAINT V8.38A (Bruker, 2018)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (Bruker, 2018)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         1.532
_refine_diff_density_min         -1.970
_refine_diff_density_rms         0.130
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.099
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1280
_refine_ls_number_reflns         19639
_refine_ls_number_restraints     124
_refine_ls_R_factor_all          0.1049
_refine_ls_R_factor_gt           0.0951
_refine_ls_restrained_S_all      1.106
_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)+(0.0301P)²+112.0776P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2193
_refine_ls_wR_factor_ref         0.2246
_refine_special_details          SQUEEZE
_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. Restrained distances
 C98-C95 \\sim C98-F19A \\sim C98-F20A \\sim C98-F21A
 with sigma of 0.02
 C98-F20B \\sim C98-F19B \\sim C98-F21B \\sim C98-C95
 with sigma of 0.02
 F19A-F20A \\sim F19A-F21A \\sim F20A-F21A
 with sigma of 0.04
 C98-F19A \\sim C98-F20A \\sim C98-F21A \\sim C98-C95
 with sigma of 0.02
 F20B-F19B \\sim F20B-F21B \\sim F19B-F21B
 with sigma of 0.04
 F5-F6 \\sim F5-F4 \\sim F6-F4
 with sigma of 0.04
 C74-F5 \\sim C74-F6 \\sim C74-F4 \\sim C74-C71
 with sigma of 0.02
 F5A-F6A \\sim F4A-F6A
 with sigma of 0.04
 C74-F5A \\sim C74-F4A \\sim C74-F6A \\sim C74-C71
 with sigma of 0.02
3. Rigid body (RIGU) restrains
 F19A, C98, F20A, F21A
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C98
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C98, F21A, F19A, F20A
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C98, F21B, F19B, F20B
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 F4, F6, C74, F5
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 H86, C74, F6A, F5A, F4A
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
4. Others
 Sof(F19B)=Sof(F21B)=Sof(F20B)=1-FVAR(1)
 Sof(F19A)=Sof(F20A)=Sof(F21A)=FVAR(1)
 Sof(F4A)=Sof(F6A)=Sof(F5A)=1-FVAR(2)
 Sof(F5)=Sof(F4)=Sof(F6)=FVAR(2)
 Sof(C56B)=Sof(H56D)=Sof(H56E)=Sof(H56F)=1-FVAR(3)
 Sof(C56A)=Sof(H56A)=Sof(H56B)=Sof(H56C)=FVAR(3)
5.a Ternary CH refined with riding coordinates:
 C2(H2), C4(H4), C31(H31), C33(H33), C59(H59), C60(H60), C63(H63), C64(H64)
5.b Secondary CH2 refined with riding coordinates:
 C61(H61A,H61B), C62(H62A,H62B), C65(H65A,H65B), C66(H66A,H66B)
5.c Aromatic/amide H refined with riding coordinates:
 C68(H68), C70(H70), C72(H72), C76(H76), C78(H78), C80(H80), C84(H84),
 C86(H86), C88(H88), C92(H92), C94(H94), C96(H96), C7(H7), C8(H8), C10(H10),
 C11(H11), C13(H13), C14(H14), C16(H16), C17(H17), C19(H19), C20(H20), C22(H22),
  C23(H23), C36(H36), C37(H37), C39(H39), C40(H40), C42(H42), C43(H43),
 C45(H45), C46(H46), C48(H48), C49(H49), C51(H51), C52(H52)
5.d Idealised Me refined as rotating group:
 C27(H27A,H27B,H27C), C28(H28A,H28B,H28C), C29(H29A,H29B,H29C), C56A(H56A,H56B,
 H56C), C57(H57A,H57B,H57C), C58(H58A,H58B,H58C), C56B(H56D,H56E,H56F)
;
_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
F1 F 0.2638(5) 0.41573(14) 0.5657(2) 0.0590(14) Uani 1 1 d . . . . .
F2 F 0.3731(6) 0.38054(13) 0.61414(16) 0.0542(13) Uani 1 1 d . . . . .
F3 F 0.4566(5) 0.39566(13) 0.55176(16) 0.0466(11) Uani 1 1 d . . . . .
F7 F 0.8123(6) 0.6089(2) 0.7518(2) 0.0808(18) Uani 1 1 d . . . . .
F8 F 0.7766(7) 0.6323(2) 0.6881(2) 0.090(2) Uani 1 1 d . . . . .
F9 F 0.7406(7) 0.6688(2) 0.7447(4) 0.140(4) Uani 1 1 d . . . . .
F10 F 0.1745(7) 0.65096(19) 0.6856(2) 0.084(2) Uani 1 1 d . . . . .
F11 F 0.2767(6) 0.69490(15) 0.72626(19) 0.0687(16) Uani 1 1 d . . . . .
F12 F 0.1652(6) 0.64909(18) 0.7574(2) 0.0779(18) Uani 1 1 d . . . . .
F13 F -0.0549(4) 0.49801(14) 0.64115(14) 0.0418(10) Uani 1 1 d . . . . .
F14 F -0.0827(6) 0.54912(17) 0.68224(18) 0.0688(17) Uani 1 1 d . . . . .
F15 F -0.1851(5) 0.4933(3) 0.6951(2) 0.093(2) Uani 1 1 d . . . . .
F16 F 0.1948(5) 0.43706(14) 0.85272(15) 0.0456(11) Uani 1 1 d . . . . .
F17 F 0.0354(6) 0.40652(16) 0.81828(19) 0.0661(15) Uani 1 1 d . . . . .
F18 F 0.0041(5) 0.46397(18) 0.85023(17) 0.0604(15) Uani 1 1 d . . . . .
F19A F 0.7486(16) 0.3789(3) 0.7367(4) 0.102(6) Uani 0.80(2) 1 d D . P A 1
F20A F 0.5973(7) 0.35753(19) 0.7761(4) 0.065(3) Uani 0.80(2) 1 d D . P A 1
F21A F 0.7801(11) 0.3700(3) 0.8071(4) 0.084(4) Uani 0.80(2) 1 d D . P A 1
F22 F 0.7648(6) 0.53878(19) 0.86385(19) 0.0723(17) Uani 1 1 d . . . . .
F23 F 0.5865(5) 0.5230(2) 0.89290(17) 0.0702(17) Uani 1 1 d . . . . .
F24 F 0.7523(6) 0.48406(18) 0.90239(16) 0.0703(17) Uani 1 1 d . . . . .
C67 C 0.4556(6) 0.49610(19) 0.6684(2) 0.0269(14) Uani 1 1 d . . . . .
C68 C 0.4098(6) 0.4598(2) 0.6488(2) 0.0257(13) Uani 1 1 d . . . . .
H68 H 0.358434 0.442063 0.666064 0.031 Uiso 1 1 calc R U . . .
C69 C 0.4379(6) 0.44885(19) 0.6045(2) 0.0247(13) Uani 1 1 d . . . . .
C70 C 0.5087(6) 0.4741(2) 0.5780(2) 0.0273(14) Uani 1 1 d . . . . .
H70 H 0.525037 0.466963 0.547799 0.033 Uiso 1 1 calc R U . . .
C71 C 0.5569(7) 0.5108(2) 0.5962(2) 0.0297(14) Uani 1 1 d D . . . .
C72 C 0.5286(7) 0.5209(2) 0.6405(2) 0.0287(14) Uani 1 1 d . . . . .
H72 H 0.560686 0.545885 0.652329 0.034 Uiso 1 1 calc R U . . .
C73 C 0.3823(7) 0.4106(2) 0.5844(2) 0.0295(14) Uani 1 1 d . . . . .
C74 C 0.6334(7) 0.5375(2) 0.5690(2) 0.0384(16) Uani 1 1 d D . . . .
C75 C 0.4424(7) 0.5580(2) 0.7261(2) 0.0324(15) Uani 1 1 d . . . . .
C76 C 0.5679(8) 0.5749(2) 0.7281(2) 0.0332(16) Uani 1 1 d . . . . .
H76 H 0.640794 0.557186 0.729846 0.040 Uiso 1 1 calc R U . . .
C77 C 0.5909(9) 0.6168(2) 0.7277(3) 0.0411(18) Uani 1 1 d . . . . .
C78 C 0.4853(9) 0.6438(2) 0.7267(3) 0.045(2) Uani 1 1 d . . . . .
H78 H 0.499035 0.672232 0.726419 0.054 Uiso 1 1 calc R U . . .
C79 C 0.3608(9) 0.6278(2) 0.7263(2) 0.0389(18) Uani 1 1 d . . . . .
C80 C 0.3400(8) 0.5860(2) 0.7260(2) 0.0358(16) Uani 1 1 d . . . . .
H80 H 0.252861 0.576151 0.725633 0.043 Uiso 1 1 calc R U . . .
C81 C 0.7246(11) 0.6324(3) 0.7288(4) 0.058(2) Uani 1 1 d . . . . .
C82 C 0.2482(10) 0.6559(3) 0.7245(3) 0.053(2) Uani 1 1 d . . . . .
C83 C 0.2761(7) 0.49453(19) 0.7322(2) 0.0288(14) Uani 1 1 d . . . . .
C84 C 0.1685(7) 0.5041(2) 0.7040(2) 0.0336(15) Uani 1 1 d . . . . .
H84 H 0.183152 0.517171 0.676233 0.040 Uiso 1 1 calc R U . . .
C85 C 0.0403(7) 0.4953(2) 0.7150(2) 0.0323(15) Uani 1 1 d . . . . .
C86 C 0.0141(7) 0.4752(2) 0.7542(2) 0.0336(15) Uani 1 1 d . . . . .
H86 H -0.072895 0.468540 0.761334 0.040 Uiso 1 1 calc R U . . .
C87 C 0.1186(7) 0.4649(2) 0.7831(2) 0.0334(15) Uani 1 1 d . . . . .
C88 C 0.2454(7) 0.4739(2) 0.7719(2) 0.0332(15) Uani 1 1 d . . . . .
H88 H 0.314833 0.465730 0.791919 0.040 Uiso 1 1 calc R U . . .
C89 C -0.0712(8) 0.5086(3) 0.6838(2) 0.0415(18) Uani 1 1 d . . . . .
C90 C 0.0881(8) 0.4434(2) 0.8257(3) 0.0437(19) Uani 1 1 d . . . . .
C91 C 0.5274(7) 0.4855(2) 0.7569(2) 0.0272(14) Uani 1 1 d . . . . .
C92 C 0.5669(7) 0.5041(2) 0.7979(2) 0.0321(15) Uani 1 1 d . . . . .
H92 H 0.538307 0.530899 0.803752 0.039 Uiso 1 1 calc R U . . .
C93 C 0.6458(7) 0.4847(2) 0.8298(2) 0.0327(16) Uani 1 1 d . . . . .
C94 C 0.6910(7) 0.4457(2) 0.8234(2) 0.0338(16) Uani 1 1 d . . . . .
H94 H 0.745921 0.432779 0.845484 0.041 Uiso 1 1 calc R U . . .
C95 C 0.6532(7) 0.4257(2) 0.7832(2) 0.0331(15) Uani 1 1 d D . . . .
C96 C 0.5750(7) 0.4461(2) 0.7508(2) 0.0297(14) Uani 1 1 d . . . . .
H96 H 0.553159 0.432632 0.723351 0.036 Uiso 1 1 calc R U . . .
C97 C 0.6872(9) 0.5081(3) 0.8724(3) 0.048(2) Uani 1 1 d . . . . .
C98 C 0.6942(7) 0.3847(2) 0.7759(2) 0.0391(15) Uani 1 1 d D . . . .
B1 B 0.4256(8) 0.5084(2) 0.7205(2) 0.0272(16) Uani 1 1 d . . . . .
Rh1 Rh 0.85660(5) 0.32174(2) 0.58159(2) 0.02382(13) Uani 1 1 d . . . . .
Cr1 Cr 1.05741(10) 0.27064(3) 0.45946(4) 0.0250(2) Uani 1 1 d . . . . .
Cr2 Cr 0.50061(11) 0.25417(3) 0.62253(4) 0.0288(3) Uani 1 1 d . . . . .
P1 P 0.90078(16) 0.29052(5) 0.51446(6) 0.0240(3) Uani 1 1 d . . . . .
P2 P 0.71560(16) 0.27022(5) 0.59603(6) 0.0250(3) Uani 1 1 d . . . . .
O1 O 1.2174(5) 0.34536(15) 0.48197(18) 0.0378(12) Uani 1 1 d . . . . .
O2 O 1.2114(6) 0.2628(2) 0.3748(2) 0.0637(19) Uani 1 1 d . . . . .
O3 O 1.2635(5) 0.21553(16) 0.50092(19) 0.0416(13) Uani 1 1 d . . . . .
O4 O 0.5155(6) 0.33069(18) 0.6784(2) 0.0487(14) Uani 1 1 d . . . . .
O5 O 0.2853(5) 0.29090(17) 0.56505(18) 0.0422(13) Uani 1 1 d . . . . .
O6 O 0.2846(5) 0.2291(2) 0.68278(19) 0.0518(16) Uani 1 1 d . . . . .
C1 C 0.9146(6) 0.23868(19) 0.5033(2) 0.0244(13) Uani 1 1 d . . . . .
C2 C 0.9068(6) 0.22232(19) 0.4596(2) 0.0247(13) Uani 1 1 d . . . . .
H2 H 0.938023 0.193818 0.456096 0.030 Uiso 1 1 calc R U . . .
C3 C 0.8856(6) 0.2450(2) 0.4196(2) 0.0251(13) Uani 1 1 d . . . . .
C4 C 0.8739(6) 0.2878(2) 0.4211(2) 0.0247(13) Uani 1 1 d . . . . .
H4 H 0.885539 0.302376 0.392040 0.030 Uiso 1 1 calc R U . . .
C5 C 0.8813(6) 0.31184(19) 0.4599(2) 0.0253(13) Uani 1 1 d . . . . .
C6 C 0.9326(6) 0.20951(19) 0.5419(2) 0.0273(14) Uani 1 1 d . . . . .
C7 C 0.8548(7) 0.1752(2) 0.5427(2) 0.0301(14) Uani 1 1 d . . . . .
H7 H 0.794905 0.170039 0.518278 0.036 Uiso 1 1 calc R U . . .
C8 C 0.8623(8) 0.1482(2) 0.5785(3) 0.0376(17) Uani 1 1 d . . . . .
H8 H 0.805848 0.125362 0.578735 0.045 Uiso 1 1 calc R U . . .
C9 C 0.9523(8) 0.1544(2) 0.6140(3) 0.0398(18) Uani 1 1 d . . . . .
C10 C 1.0330(7) 0.1882(2) 0.6119(2) 0.0353(16) Uani 1 1 d . . . . .
H10 H 1.096883 0.192504 0.635390 0.042 Uiso 1 1 calc R U . . .
C11 C 1.0235(7) 0.2159(2) 0.5770(2) 0.0299(14) Uani 1 1 d . . . . .
H11 H 1.078747 0.238987 0.577007 0.036 Uiso 1 1 calc R U . . .
C12 C 0.8698(7) 0.2225(2) 0.3759(2) 0.0286(14) Uani 1 1 d . . . . .
C13 C 0.9007(7) 0.2401(2) 0.3344(2) 0.0317(15) Uani 1 1 d . . . . .
H13 H 0.939142 0.266323 0.333551 0.038 Uiso 1 1 calc R U . . .
C14 C 0.8742(7) 0.2187(2) 0.2948(3) 0.0370(17) Uani 1 1 d . . . . .
H14 H 0.893765 0.230766 0.266847 0.044 Uiso 1 1 calc R U . . .
C15 C 0.8208(7) 0.1807(2) 0.2948(2) 0.0348(16) Uani 1 1 d . . . . .
C16 C 0.7916(9) 0.1631(2) 0.3358(3) 0.0447(19) Uani 1 1 d . . . . .
H16 H 0.755308 0.136581 0.336662 0.054 Uiso 1 1 calc R U . . .
C17 C 0.8159(8) 0.1845(2) 0.3753(2) 0.0383(17) Uani 1 1 d . . . . .
H17 H 0.794412 0.172319 0.403035 0.046 Uiso 1 1 calc R U . . .
C18 C 0.8706(6) 0.35689(19) 0.4548(2) 0.0258(13) Uani 1 1 d . . . . .
C19 C 0.9462(7) 0.3775(2) 0.4240(3) 0.0347(16) Uani 1 1 d . . . . .
H19 H 1.005138 0.362807 0.406211 0.042 Uiso 1 1 calc R U . . .
C20 C 0.9356(8) 0.4193(2) 0.4193(3) 0.0387(17) Uani 1 1 d . . . . .
H20 H 0.987216 0.432559 0.397871 0.046 Uiso 1 1 calc R U . . .
C21 C 0.8520(7) 0.4423(2) 0.4448(2) 0.0329(16) Uani 1 1 d . . . . .
C22 C 0.7753(7) 0.4216(2) 0.4752(2) 0.0319(15) Uani 1 1 d . . . . .
H22 H 0.715345 0.436188 0.492568 0.038 Uiso 1 1 calc R U . . .
C23 C 0.7858(6) 0.3797(2) 0.4802(2) 0.0279(14) Uani 1 1 d . . . . .
H23 H 0.733941 0.366371 0.501461 0.033 Uiso 1 1 calc R U . . .
C24 C 1.1838(7) 0.2370(2) 0.4849(2) 0.0320(15) Uani 1 1 d . . . . .
C25 C 1.1578(7) 0.3164(2) 0.4742(2) 0.0323(15) Uani 1 1 d . . . . .
C26 C 1.1505(7) 0.2667(2) 0.4069(2) 0.0372(17) Uani 1 1 d . . . . .
C27 C 0.7864(9) 0.1578(3) 0.2511(3) 0.049(2) Uani 1 1 d . . . . .
H27A H 0.791743 0.176417 0.225540 0.074 Uiso 1 1 calc R U . . .
H27B H 0.697463 0.147069 0.252256 0.074 Uiso 1 1 calc R U . . .
H27C H 0.847862 0.135430 0.247562 0.074 Uiso 1 1 calc R U . . .
C28 C 0.9615(11) 0.1249(3) 0.6522(3) 0.069(3) Uani 1 1 d . . . . .
H28A H 0.884932 0.127751 0.670672 0.103 Uiso 1 1 calc R U . . .
H28B H 1.040784 0.130339 0.670630 0.103 Uiso 1 1 calc R U . . .
H28C H 0.964990 0.097205 0.640305 0.103 Uiso 1 1 calc R U . . .
C29 C 0.8418(9) 0.4876(2) 0.4398(3) 0.0435(19) Uani 1 1 d . . . . .
H29A H 0.929569 0.499319 0.439230 0.065 Uiso 1 1 calc R U . . .
H29B H 0.795858 0.498842 0.465307 0.065 Uiso 1 1 calc R U . . .
H29C H 0.793439 0.494127 0.411757 0.065 Uiso 1 1 calc R U . . .
C30 C 0.6054(6) 0.24599(19) 0.5585(2) 0.0263(14) Uani 1 1 d . . . . .
C31 C 0.5398(7) 0.2091(2) 0.5687(3) 0.0318(15) Uani 1 1 d . . . . .
H31 H 0.463865 0.201674 0.548244 0.038 Uiso 1 1 calc R U . . .
C32 C 0.5492(7) 0.1887(2) 0.6101(3) 0.0352(16) Uani 1 1 d . . . . .
C33 C 0.6314(7) 0.2042(2) 0.6460(3) 0.0348(16) Uani 1 1 d . . . . .
H33 H 0.615474 0.193172 0.676605 0.042 Uiso 1 1 calc R U . . .
C34 C 0.7075(6) 0.2391(2) 0.6445(2) 0.0284(14) Uani 1 1 d . . . . .
C35 C 0.5766(6) 0.2654(2) 0.5137(2) 0.0250(13) Uani 1 1 d . . . . .
C36 C 0.5466(6) 0.3066(2) 0.5093(2) 0.0255(13) Uani 1 1 d . . . . .
H36 H 0.545351 0.322999 0.535459 0.031 Uiso 1 1 calc R U . . .
C37 C 0.5188(7) 0.3238(2) 0.4681(2) 0.0335(15) Uani 1 1 d . . . . .
H37 H 0.496181 0.351718 0.466247 0.040 Uiso 1 1 calc R U . . .
C38 C 0.5235(7) 0.3005(2) 0.4285(2) 0.0349(16) Uani 1 1 d . . . . .
C39 C 0.5525(8) 0.2595(3) 0.4330(3) 0.0428(19) Uani 1 1 d . . . . .
H39 H 0.555588 0.243252 0.406727 0.051 Uiso 1 1 calc R U . . .
C40 C 0.5771(7) 0.2414(2) 0.4745(2) 0.0301(14) Uani 1 1 d . . . . .
H40 H 0.594157 0.213104 0.476455 0.036 Uiso 1 1 calc R U . . .
C41 C 0.4706(8) 0.1517(2) 0.6162(3) 0.046(2) Uani 1 1 d . . . . .
C42 C 0.3470(7) 0.1475(2) 0.5969(3) 0.045(2) Uani 1 1 d . . . . .
H42 H 0.310530 0.169309 0.579814 0.054 Uiso 1 1 calc R U . . .
C43 C 0.2745(9) 0.1125(3) 0.6017(4) 0.070(3) Uani 1 1 d . . . . .
H43 H 0.190305 0.110533 0.587517 0.084 Uiso 1 1 calc R U . . .
C44 C 0.3232(10) 0.0806(3) 0.6269(5) 0.077(4) Uani 1 1 d . . . . .
C45 C 0.4462(9) 0.0848(3) 0.6474(4) 0.078(4) Uani 1 1 d . . . . .
H45 H 0.480521 0.063273 0.665482 0.093 Uiso 1 1 calc R U . . .
C46 C 0.5204(9) 0.1195(3) 0.6421(4) 0.056(3) Uani 1 1 d . . . . .
H46 H 0.604998 0.121332 0.656086 0.067 Uiso 1 1 calc R U . . .
C47 C 0.7805(7) 0.2513(2) 0.6872(2) 0.0317(15) Uani 1 1 d . . . . .
C48 C 0.7120(7) 0.2576(2) 0.7271(3) 0.0384(18) Uani 1 1 d . . . . .
H48 H 0.619868 0.254468 0.726916 0.046 Uiso 1 1 calc R U . . .
C49 C 0.7798(8) 0.2684(2) 0.7664(3) 0.0381(17) Uani 1 1 d . . . . .
H49 H 0.732753 0.272631 0.792943 0.046 Uiso 1 1 calc R U . . .
C50 C 0.9134(7) 0.2732(2) 0.7683(2) 0.0348(16) Uani 1 1 d . . . . .
C51 C 0.9810(8) 0.2663(2) 0.7290(3) 0.0388(17) Uani 1 1 d . . . . .
H51 H 1.073405 0.268683 0.729672 0.047 Uiso 1 1 calc R U . . .
C52 C 0.9155(7) 0.2561(2) 0.6891(3) 0.0360(16) Uani 1 1 d . . . . .
H52 H 0.963264 0.252365 0.662704 0.043 Uiso 1 1 calc R U . . .
C53 C 0.5105(7) 0.3015(2) 0.6574(2) 0.0331(16) Uani 1 1 d . . . . .
C54 C 0.3693(7) 0.2774(2) 0.5873(2) 0.0327(16) Uani 1 1 d . . . . .
C55 C 0.3689(7) 0.2376(2) 0.6603(3) 0.0385(17) Uani 1 1 d . . . . .
C56A C 0.257(5) 0.0355(15) 0.620(3) 0.081(15) Uani 0.45(11) 1 d . . P B 1
H56A H 0.174873 0.037896 0.602835 0.121 Uiso 0.45(11) 1 calc R U P B 1
H56B H 0.240506 0.023913 0.649949 0.121 Uiso 0.45(11) 1 calc R U P B 1
H56C H 0.317095 0.017848 0.604545 0.121 Uiso 0.45(11) 1 calc R U P B 1
C57 C 0.4991(9) 0.3201(3) 0.3828(3) 0.057(2) Uani 1 1 d . . . . .
H57A H 0.576016 0.335804 0.374833 0.085 Uiso 1 1 calc R U . . .
H57B H 0.423308 0.338144 0.383862 0.085 Uiso 1 1 calc R U . . .
H57C H 0.482081 0.299027 0.360083 0.085 Uiso 1 1 calc R U . . .
C58 C 0.9850(8) 0.2860(3) 0.8118(3) 0.048(2) Uani 1 1 d . . . . .
H58A H 1.059056 0.267781 0.817959 0.072 Uiso 1 1 calc R U . . .
H58B H 0.925195 0.284621 0.836718 0.072 Uiso 1 1 calc R U . . .
H58C H 1.016876 0.313833 0.808792 0.072 Uiso 1 1 calc R U . . .
C59 C 1.0538(7) 0.3471(2) 0.5940(3) 0.0326(15) Uani 1 1 d . . . . .
H59 H 1.122946 0.332454 0.577594 0.039 Uiso 1 1 calc R U . . .
C60 C 0.9878(6) 0.3751(2) 0.5680(2) 0.0293(15) Uani 1 1 d . . . . .
H60 H 1.016907 0.376501 0.536328 0.035 Uiso 1 1 calc R U . . .
C61 C 0.9314(7) 0.4147(2) 0.5851(3) 0.0358(16) Uani 1 1 d . . . . .
H61A H 0.936905 0.435630 0.561449 0.043 Uiso 1 1 calc R U . . .
H61B H 0.984462 0.423979 0.611629 0.043 Uiso 1 1 calc R U . . .
C62 C 0.7885(7) 0.4103(2) 0.5983(2) 0.0324(15) Uani 1 1 d . . . . .
H62A H 0.768338 0.432166 0.619729 0.039 Uiso 1 1 calc R U . . .
H62B H 0.731430 0.414166 0.571058 0.039 Uiso 1 1 calc R U . . .
C63 C 0.7564(7) 0.3702(2) 0.6192(2) 0.0313(15) Uani 1 1 d . . . . .
H63 H 0.660724 0.365461 0.622002 0.038 Uiso 1 1 calc R U . . .
C64 C 0.8338(6) 0.3493(2) 0.6509(2) 0.0265(14) Uani 1 1 d . . . . .
H64 H 0.783853 0.332139 0.671968 0.032 Uiso 1 1 calc R U . . .
C65 C 0.9634(7) 0.3641(2) 0.6700(3) 0.0379(17) Uani 1 1 d . . . . .
H65A H 0.973518 0.355301 0.701766 0.045 Uiso 1 1 calc R U . . .
H65B H 0.963991 0.394115 0.669616 0.045 Uiso 1 1 calc R U . . .
C66 C 1.0795(7) 0.3486(2) 0.6442(2) 0.0366(16) Uani 1 1 d . . . . .
H66A H 1.155582 0.366307 0.650902 0.044 Uiso 1 1 calc R U . . .
H66B H 1.102174 0.320977 0.655058 0.044 Uiso 1 1 calc R U . . .
F5 F 0.6959(10) 0.5673(3) 0.5908(2) 0.064(4) Uani 0.79(2) 1 d D . P C 1
F4 F 0.7334(11) 0.5179(2) 0.5503(4) 0.081(4) Uani 0.79(2) 1 d D . P C 1
F6 F 0.5655(10) 0.5544(4) 0.5350(4) 0.086(5) Uani 0.79(2) 1 d D . P C 1
F19B F 0.817(2) 0.3818(10) 0.7621(16) 0.070(11) Uani 0.20(2) 1 d D . P A 2
F21B F 0.699(5) 0.3593(10) 0.8110(9) 0.091(14) Uani 0.20(2) 1 d D . P A 2
F20B F 0.632(3) 0.3626(7) 0.7441(11) 0.061(11) Uani 0.20(2) 1 d D . P A 2
F4A F 0.619(5) 0.5313(13) 0.5244(5) 0.073(14) Uani 0.21(2) 1 d D . P C 2
F6A F 0.597(5) 0.5770(5) 0.5723(14) 0.10(2) Uani 0.21(2) 1 d D . P C 2
F5A F 0.7618(17) 0.5387(17) 0.5770(16) 0.10(2) Uani 0.21(2) 1 d D . P C 2
C56B C 0.233(3) 0.0464(12) 0.6406(19) 0.058(10) Uani 0.55(11) 1 d . . P B 2
H56D H 0.201160 0.051960 0.670586 0.087 Uiso 0.55(11) 1 calc R U P B 2
H56E H 0.281757 0.020778 0.641174 0.087 Uiso 0.55(11) 1 calc R U P B 2
H56F H 0.159416 0.044452 0.618901 0.087 Uiso 0.55(11) 1 calc R U P B 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
F1 C73 1.327(8) . ?
F2 C73 1.336(8) . ?
F3 C73 1.350(8) . ?
F7 C81 1.354(12) . ?
F8 C81 1.341(12) . ?
F9 C81 1.299(10) . ?
F10 C82 1.369(11) . ?
F11 C82 1.321(10) . ?
F12 C82 1.338(11) . ?
F13 C89 1.333(8) . ?
F14 C89 1.342(10) . ?
F15 C89 1.328(10) . ?
F16 C90 1.349(9) . ?
F17 C90 1.347(10) . ?
F18 C90 1.334(9) . ?
F19A C98 1.326(9) . ?
F20A C98 1.339(8) . ?
F21A C98 1.347(9) . ?
F22 C97 1.319(12) . ?
F23 C97 1.314(9) . ?
F24 C97 1.350(9) . ?
C67 C68 1.405(9) . ?
C67 C72 1.401(9) . ?
C67 B1 1.644(10) . ?
C68 H68 0.9500 . ?
C68 C69 1.407(9) . ?
C69 C70 1.375(9) . ?
C69 C73 1.499(9) . ?
C70 H70 0.9500 . ?
C70 C71 1.407(9) . ?
C71 C72 1.401(9) . ?
C71 C74 1.445(8) . ?
C72 H72 0.9500 . ?
C74 F5 1.329(8) . ?
C74 F4 1.349(9) . ?
C74 F6 1.330(9) . ?
C74 F4A 1.346(14) . ?
C74 F6A 1.361(14) . ?
C74 F5A 1.330(15) . ?
C75 C76 1.401(11) . ?
C75 C80 1.398(10) . ?
C75 B1 1.653(10) . ?
C76 H76 0.9500 . ?
C76 C77 1.400(10) . ?
C77 C78 1.402(12) . ?
C77 C81 1.464(13) . ?
C78 H78 0.9500 . ?
C78 C79 1.380(12) . ?
C79 C80 1.397(10) . ?
C79 C82 1.479(12) . ?
C80 H80 0.9500 . ?
C83 C84 1.396(10) . ?
C83 C88 1.409(10) . ?
C83 B1 1.649(10) . ?
C84 H84 0.9500 . ?
C84 C85 1.397(10) . ?
C85 C86 1.377(10) . ?
C85 C89 1.511(11) . ?
C86 H86 0.9500 . ?
C86 C87 1.391(10) . ?
C87 C88 1.385(10) . ?
C87 C90 1.497(11) . ?
C88 H88 0.9500 . ?
C91 C92 1.411(9) . ?
C91 C96 1.402(9) . ?
C91 B1 1.659(10) . ?
C92 H92 0.9500 . ?
C92 C93 1.381(10) . ?
C93 C94 1.383(10) . ?
C93 C97 1.532(10) . ?
C94 H94 0.9500 . ?
C94 C95 1.409(10) . ?
C95 C96 1.404(10) . ?
C95 C98 1.435(8) . ?
C96 H96 0.9500 . ?
C98 F19B 1.346(14) . ?
C98 F21B 1.340(14) . ?
C98 F20B 1.336(14) . ?
Rh1 P1 2.3072(17) . ?
Rh1 P2 2.2826(17) . ?
Rh1 C59 2.207(7) . ?
Rh1 C60 2.261(6) . ?
Rh1 C63 2.225(6) . ?
Rh1 C64 2.276(6) . ?
Cr1 P1 2.4257(19) . ?
Cr1 C1 2.258(6) . ?
Cr1 C2 2.220(6) . ?
Cr1 C3 2.252(7) . ?
Cr1 C4 2.237(6) . ?
Cr1 C5 2.261(6) . ?
Cr1 C24 1.847(8) . ?
Cr1 C25 1.869(8) . ?
Cr1 C26 1.866(8) . ?
Cr2 P2 2.4270(19) . ?
Cr2 C30 2.238(6) . ?
Cr2 C31 2.234(8) . ?
Cr2 C32 2.251(7) . ?
Cr2 C33 2.222(7) . ?
Cr2 C34 2.253(7) . ?
Cr2 C53 1.875(8) . ?
Cr2 C54 1.842(8) . ?
Cr2 C55 1.870(8) . ?
P1 C1 1.749(6) . ?
P1 C5 1.773(7) . ?
P2 C30 1.752(7) . ?
P2 C34 1.776(6) . ?
O1 C25 1.153(9) . ?
O2 C26 1.169(9) . ?
O3 C24 1.169(9) . ?
O4 C53 1.148(9) . ?
O5 C54 1.156(9) . ?
O6 C55 1.148(9) . ?
C1 C2 1.407(9) . ?
C1 C6 1.506(9) . ?
C2 H2 1.0000 . ?
C2 C3 1.416(9) . ?
C3 C4 1.419(9) . ?
C3 C12 1.501(9) . ?
C4 H4 1.0000 . ?
C4 C5 1.401(9) . ?
C5 C18 1.498(9) . ?
C6 C7 1.386(9) . ?
C6 C11 1.389(10) . ?
C7 H7 0.9500 . ?
C7 C8 1.387(10) . ?
C8 H8 0.9500 . ?
C8 C9 1.391(11) . ?
C9 C10 1.393(10) . ?
C9 C28 1.498(10) . ?
C10 H10 0.9500 . ?
C10 C11 1.383(10) . ?
C11 H11 0.9500 . ?
C12 C13 1.412(9) . ?
C12 C17 1.370(10) . ?
C13 H13 0.9500 . ?
C13 C14 1.395(10) . ?
C14 H14 0.9500 . ?
C14 C15 1.367(11) . ?
C15 C16 1.393(11) . ?
C15 C27 1.534(10) . ?
C16 H16 0.9500 . ?
C16 C17 1.386(11) . ?
C17 H17 0.9500 . ?
C18 C19 1.397(9) . ?
C18 C23 1.394(9) . ?
C19 H19 0.9500 . ?
C19 C20 1.390(10) . ?
C20 H20 0.9500 . ?
C20 C21 1.393(10) . ?
C21 C22 1.398(10) . ?
C21 C29 1.505(9) . ?
C22 H22 0.9500 . ?
C22 C23 1.393(9) . ?
C23 H23 0.9500 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 C31 1.429(9) . ?
C30 C35 1.497(9) . ?
C31 H31 1.0000 . ?
C31 C32 1.406(10) . ?
C32 C33 1.429(11) . ?
C32 C41 1.476(10) . ?
C33 H33 1.0000 . ?
C33 C34 1.392(10) . ?
C34 C47 1.505(10) . ?
C35 C36 1.399(9) . ?
C35 C40 1.411(9) . ?
C36 H36 0.9500 . ?
C36 C37 1.372(9) . ?
C37 H37 0.9500 . ?
C37 C38 1.411(11) . ?
C38 C39 1.391(11) . ?
C38 C57 1.518(10) . ?
C39 H39 0.9500 . ?
C39 C40 1.385(11) . ?
C40 H40 0.9500 . ?
C41 C42 1.378(11) . ?
C41 C46 1.399(11) . ?
C42 H42 0.9500 . ?
C42 C43 1.383(11) . ?
C43 H43 0.9500 . ?
C43 C44 1.375(12) . ?
C44 C45 1.387(14) . ?
C44 C56A 1.64(5) . ?
C44 C56B 1.52(3) . ?
C45 H45 0.9500 . ?
C45 C46 1.387(12) . ?
C46 H46 0.9500 . ?
C47 C48 1.418(10) . ?
C47 C52 1.393(10) . ?
C48 H48 0.9500 . ?
C48 C49 1.385(11) . ?
C49 H49 0.9500 . ?
C49 C50 1.377(11) . ?
C50 C51 1.402(11) . ?
C50 C58 1.525(11) . ?
C51 H51 0.9500 . ?
C51 C52 1.381(11) . ?
C52 H52 0.9500 . ?
C56A H56A 0.9800 . ?
C56A H56B 0.9800 . ?
C56A H56C 0.9800 . ?
C57 H57A 0.9800 . ?
C57 H57B 0.9800 . ?
C57 H57C 0.9800 . ?
C58 H58A 0.9800 . ?
C58 H58B 0.9800 . ?
C58 H58C 0.9800 . ?
C59 H59 1.0000 . ?
C59 C60 1.366(10) . ?
C59 C66 1.510(10) . ?
C60 H60 1.0000 . ?
C60 C61 1.525(9) . ?
C61 H61A 0.9900 . ?
C61 H61B 0.9900 . ?
C61 C62 1.537(10) . ?
C62 H62A 0.9900 . ?
C62 H62B 0.9900 . ?
C62 C63 1.504(9) . ?
C63 H63 1.0000 . ?
C63 C64 1.392(10) . ?
C64 H64 1.0000 . ?
C64 C65 1.507(10) . ?
C65 H65A 0.9900 . ?
C65 H65B 0.9900 . ?
C65 C66 1.528(10) . ?
C66 H66A 0.9900 . ?
C66 H66B 0.9900 . ?
C56B H56D 0.9800 . ?
C56B H56E 0.9800 . ?
C56B H56F 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
C68 C67 B1 122.0(6) . . ?
C72 C67 C68 115.5(6) . . ?
C72 C67 B1 122.5(6) . . ?
C67 C68 H68 119.0 . . ?
C67 C68 C69 122.0(6) . . ?
C69 C68 H68 119.0 . . ?
C68 C69 C73 120.1(6) . . ?
C70 C69 C68 120.9(6) . . ?
C70 C69 C73 118.9(6) . . ?
C69 C70 H70 120.5 . . ?
C69 C70 C71 119.1(6) . . ?
C71 C70 H70 120.5 . . ?
C70 C71 C74 119.9(6) . . ?
C72 C71 C70 119.0(6) . . ?
C72 C71 C74 121.1(6) . . ?
C67 C72 C71 123.5(6) . . ?
C67 C72 H72 118.3 . . ?
C71 C72 H72 118.3 . . ?
F1 C73 F2 106.6(6) . . ?
F1 C73 F3 106.1(6) . . ?
F1 C73 C69 112.9(5) . . ?
F2 C73 F3 105.1(5) . . ?
F2 C73 C69 113.3(6) . . ?
F3 C73 C69 112.3(6) . . ?
F5 C74 C71 116.2(6) . . ?
F5 C74 F4 101.2(7) . . ?
F5 C74 F6 106.8(7) . . ?
F4 C74 C71 112.2(6) . . ?
F6 C74 C71 113.7(7) . . ?
F6 C74 F4 105.7(8) . . ?
F4A C74 C71 114.8(14) . . ?
F4A C74 F6A 101(2) . . ?
F6A C74 C71 112.8(14) . . ?
F5A C74 C71 118.3(14) . . ?
F5A C74 F4A 104(3) . . ?
F5A C74 F6A 103(2) . . ?
C76 C75 B1 119.4(6) . . ?
C80 C75 C76 115.2(7) . . ?
C80 C75 B1 125.2(7) . . ?
C75 C76 H76 118.4 . . ?
C77 C76 C75 123.2(7) . . ?
C77 C76 H76 118.4 . . ?
C76 C77 C78 119.7(8) . . ?
C76 C77 C81 120.3(8) . . ?
C78 C77 C81 119.9(8) . . ?
C77 C78 H78 120.9 . . ?
C79 C78 C77 118.2(7) . . ?
C79 C78 H78 120.9 . . ?
C78 C79 C80 121.1(7) . . ?
C78 C79 C82 118.9(7) . . ?
C80 C79 C82 119.9(8) . . ?
C75 C80 H80 118.7 . . ?
C79 C80 C75 122.5(8) . . ?
C79 C80 H80 118.7 . . ?
F7 C81 C77 114.4(8) . . ?
F8 C81 F7 100.2(8) . . ?
F8 C81 C77 112.5(8) . . ?
F9 C81 F7 105.8(9) . . ?
F9 C81 F8 106.4(9) . . ?
F9 C81 C77 116.0(9) . . ?
F10 C82 C79 111.2(7) . . ?
F11 C82 F10 105.2(7) . . ?
F11 C82 F12 106.3(7) . . ?
F11 C82 C79 115.9(9) . . ?
F12 C82 F10 104.6(9) . . ?
F12 C82 C79 112.7(7) . . ?
C84 C83 C88 114.6(6) . . ?
C84 C83 B1 122.0(6) . . ?
C88 C83 B1 123.3(6) . . ?
C83 C84 H84 118.6 . . ?
C83 C84 C85 122.8(7) . . ?
C85 C84 H84 118.6 . . ?
C84 C85 C89 119.5(7) . . ?
C86 C85 C84 120.9(7) . . ?
C86 C85 C89 119.6(7) . . ?
C85 C86 H86 121.0 . . ?
C85 C86 C87 118.1(7) . . ?
C87 C86 H86 121.0 . . ?
C86 C87 C90 117.3(7) . . ?
C88 C87 C86 120.5(7) . . ?
C88 C87 C90 122.1(7) . . ?
C83 C88 H88 118.5 . . ?
C87 C88 C83 123.0(7) . . ?
C87 C88 H88 118.5 . . ?
F13 C89 F14 104.0(6) . . ?
F13 C89 C85 113.0(6) . . ?
F14 C89 C85 112.0(7) . . ?
F15 C89 F13 106.5(7) . . ?
F15 C89 F14 108.0(7) . . ?
F15 C89 C85 112.7(7) . . ?
F16 C90 C87 112.8(6) . . ?
F17 C90 F16 105.6(6) . . ?
F17 C90 C87 112.6(7) . . ?
F18 C90 F16 106.3(7) . . ?
F18 C90 F17 106.6(7) . . ?
F18 C90 C87 112.4(6) . . ?
C92 C91 B1 121.4(6) . . ?
C96 C91 C92 115.1(6) . . ?
C96 C91 B1 123.4(6) . . ?
C91 C92 H92 118.8 . . ?
C93 C92 C91 122.3(7) . . ?
C93 C92 H92 118.8 . . ?
C92 C93 C94 121.8(7) . . ?
C92 C93 C97 118.2(7) . . ?
C94 C93 C97 119.9(6) . . ?
C93 C94 H94 121.0 . . ?
C93 C94 C95 118.0(6) . . ?
C95 C94 H94 121.0 . . ?
C94 C95 C98 119.8(6) . . ?
C96 C95 C94 119.3(6) . . ?
C96 C95 C98 120.9(7) . . ?
C91 C96 C95 123.3(7) . . ?
C91 C96 H96 118.3 . . ?
C95 C96 H96 118.3 . . ?
F22 C97 F24 107.0(7) . . ?
F22 C97 C93 112.1(7) . . ?
F23 C97 F22 107.0(8) . . ?
F23 C97 F24 107.0(7) . . ?
F23 C97 C93 112.0(7) . . ?
F24 C97 C93 111.5(7) . . ?
F19A C98 F20A 104.1(8) . . ?
F19A C98 F21A 105.7(8) . . ?
F19A C98 C95 113.9(7) . . ?
F20A C98 F21A 102.8(7) . . ?
F20A C98 C95 114.1(6) . . ?
F21A C98 C95 115.1(7) . . ?
F19B C98 C95 113.5(14) . . ?
F21B C98 C95 118.3(17) . . ?
F21B C98 F19B 100.6(18) . . ?
F20B C98 C95 119.1(12) . . ?
F20B C98 F19B 100.0(16) . . ?
F20B C98 F21B 102.4(18) . . ?
C67 B1 C75 108.5(5) . . ?
C67 B1 C83 109.8(6) . . ?
C67 B1 C91 111.6(5) . . ?
C75 B1 C91 108.9(6) . . ?
C83 B1 C75 110.4(6) . . ?
C83 B1 C91 107.6(5) . . ?
P2 Rh1 P1 88.67(6) . . ?
C59 Rh1 P1 96.1(2) . . ?
C59 Rh1 P2 146.5(2) . . ?
C59 Rh1 C60 35.6(3) . . ?
C59 Rh1 C63 94.6(3) . . ?
C59 Rh1 C64 79.7(3) . . ?
C60 Rh1 P1 93.17(18) . . ?
C60 Rh1 P2 177.00(18) . . ?
C60 Rh1 C64 86.1(2) . . ?
C63 Rh1 P1 149.9(2) . . ?
C63 Rh1 P2 97.63(19) . . ?
C63 Rh1 C60 79.6(2) . . ?
C63 Rh1 C64 36.0(3) . . ?
C64 Rh1 P1 173.64(18) . . ?
C64 Rh1 P2 92.30(18) . . ?
C1 Cr1 P1 43.68(16) . . ?
C1 Cr1 C5 75.0(2) . . ?
C2 Cr1 P1 73.43(17) . . ?
C2 Cr1 C1 36.6(2) . . ?
C2 Cr1 C3 36.9(2) . . ?
C2 Cr1 C4 67.1(2) . . ?
C2 Cr1 C5 82.9(2) . . ?
C3 Cr1 P1 86.12(17) . . ?
C3 Cr1 C1 67.5(2) . . ?
C3 Cr1 C5 67.6(2) . . ?
C4 Cr1 P1 73.16(17) . . ?
C4 Cr1 C1 82.0(2) . . ?
C4 Cr1 C3 36.8(2) . . ?
C4 Cr1 C5 36.3(2) . . ?
C5 Cr1 P1 44.28(16) . . ?
C24 Cr1 P1 111.0(2) . . ?
C24 Cr1 C1 86.7(3) . . ?
C24 Cr1 C2 92.6(3) . . ?
C24 Cr1 C3 120.9(3) . . ?
C24 Cr1 C4 157.7(3) . . ?
C24 Cr1 C5 155.1(3) . . ?
C24 Cr1 C25 91.0(3) . . ?
C24 Cr1 C26 85.9(3) . . ?
C25 Cr1 P1 89.8(2) . . ?
C25 Cr1 C1 127.2(3) . . ?
C25 Cr1 C2 163.0(3) . . ?
C25 Cr1 C3 147.1(3) . . ?
C25 Cr1 C4 111.1(3) . . ?
C25 Cr1 C5 86.9(3) . . ?
C26 Cr1 P1 163.0(2) . . ?
C26 Cr1 C1 144.5(3) . . ?
C26 Cr1 C2 109.2(3) . . ?
C26 Cr1 C3 87.0(3) . . ?
C26 Cr1 C4 92.1(3) . . ?
C26 Cr1 C5 118.7(3) . . ?
C26 Cr1 C25 87.6(3) . . ?
C30 Cr2 P2 43.88(18) . . ?
C30 Cr2 C32 68.2(3) . . ?
C30 Cr2 C34 75.2(2) . . ?
C31 Cr2 P2 73.88(18) . . ?
C31 Cr2 C30 37.3(2) . . ?
C31 Cr2 C32 36.5(3) . . ?
C31 Cr2 C34 82.5(3) . . ?
C32 Cr2 P2 86.95(19) . . ?
C32 Cr2 C34 67.9(3) . . ?
C33 Cr2 P2 73.69(18) . . ?
C33 Cr2 C30 82.8(3) . . ?
C33 Cr2 C31 67.0(3) . . ?
C33 Cr2 C32 37.3(3) . . ?
C33 Cr2 C34 36.3(2) . . ?
C34 Cr2 P2 44.42(16) . . ?
C53 Cr2 P2 88.1(2) . . ?
C53 Cr2 C30 123.6(3) . . ?
C53 Cr2 C31 160.7(3) . . ?
C53 Cr2 C32 151.9(3) . . ?
C53 Cr2 C33 115.1(3) . . ?
C53 Cr2 C34 89.6(3) . . ?
C54 Cr2 P2 112.2(2) . . ?
C54 Cr2 C30 86.0(3) . . ?
C54 Cr2 C31 90.9(3) . . ?
C54 Cr2 C32 117.9(3) . . ?
C54 Cr2 C33 155.2(3) . . ?
C54 Cr2 C34 156.6(3) . . ?
C54 Cr2 C53 89.5(3) . . ?
C54 Cr2 C55 86.2(3) . . ?
C55 Cr2 P2 160.7(2) . . ?
C55 Cr2 C30 148.9(3) . . ?
C55 Cr2 C31 112.9(3) . . ?
C55 Cr2 C32 89.3(3) . . ?
C55 Cr2 C33 92.0(3) . . ?
C55 Cr2 C34 117.0(3) . . ?
C55 Cr2 C53 86.3(3) . . ?
Rh1 P1 Cr1 149.44(8) . . ?
C1 P1 Rh1 128.4(2) . . ?
C1 P1 Cr1 63.0(2) . . ?
C1 P1 C5 102.7(3) . . ?
C5 P1 Rh1 126.6(2) . . ?
C5 P1 Cr1 62.9(2) . . ?
Rh1 P2 Cr2 144.38(8) . . ?
C30 P2 Rh1 128.1(2) . . ?
C30 P2 Cr2 62.3(2) . . ?
C30 P2 C34 101.9(3) . . ?
C34 P2 Rh1 129.3(2) . . ?
C34 P2 Cr2 62.6(2) . . ?
P1 C1 Cr1 73.3(2) . . ?
C2 C1 Cr1 70.2(4) . . ?
C2 C1 P1 123.3(5) . . ?
C2 C1 C6 117.5(6) . . ?
C6 C1 Cr1 132.5(5) . . ?
C6 C1 P1 119.2(5) . . ?
Cr1 C2 H2 116.7 . . ?
C1 C2 Cr1 73.2(4) . . ?
C1 C2 H2 116.7 . . ?
C1 C2 C3 125.1(6) . . ?
C3 C2 Cr1 72.8(4) . . ?
C3 C2 H2 116.7 . . ?
C2 C3 Cr1 70.3(4) . . ?
C2 C3 C4 120.7(6) . . ?
C2 C3 C12 118.3(6) . . ?
C4 C3 Cr1 71.0(4) . . ?
C4 C3 C12 121.0(6) . . ?
C12 C3 Cr1 134.4(5) . . ?
Cr1 C4 H4 115.9 . . ?
C3 C4 Cr1 72.1(4) . . ?
C3 C4 H4 115.9 . . ?
C5 C4 Cr1 72.8(4) . . ?
C5 C4 C3 126.0(6) . . ?
C5 C4 H4 115.9 . . ?
P1 C5 Cr1 72.8(2) . . ?
C4 C5 Cr1 70.9(4) . . ?
C4 C5 P1 122.1(5) . . ?
C4 C5 C18 118.4(6) . . ?
C18 C5 Cr1 130.6(4) . . ?
C18 C5 P1 119.5(5) . . ?
C7 C6 C1 118.8(6) . . ?
C7 C6 C11 118.7(6) . . ?
C11 C6 C1 122.5(6) . . ?
C6 C7 H7 119.3 . . ?
C6 C7 C8 121.5(7) . . ?
C8 C7 H7 119.3 . . ?
C7 C8 H8 119.9 . . ?
C7 C8 C9 120.2(7) . . ?
C9 C8 H8 119.9 . . ?
C8 C9 C10 117.6(6) . . ?
C8 C9 C28 120.1(7) . . ?
C10 C9 C28 122.2(7) . . ?
C9 C10 H10 118.8 . . ?
C11 C10 C9 122.4(7) . . ?
C11 C10 H10 118.8 . . ?
C6 C11 H11 120.3 . . ?
C10 C11 C6 119.4(6) . . ?
C10 C11 H11 120.3 . . ?
C13 C12 C3 122.1(6) . . ?
C17 C12 C3 119.7(6) . . ?
C17 C12 C13 118.1(6) . . ?
C12 C13 H13 120.4 . . ?
C14 C13 C12 119.1(7) . . ?
C14 C13 H13 120.4 . . ?
C13 C14 H14 119.0 . . ?
C15 C14 C13 122.0(7) . . ?
C15 C14 H14 119.0 . . ?
C14 C15 C16 118.9(7) . . ?
C14 C15 C27 121.9(7) . . ?
C16 C15 C27 119.1(7) . . ?
C15 C16 H16 120.3 . . ?
C17 C16 C15 119.4(7) . . ?
C17 C16 H16 120.3 . . ?
C12 C17 C16 122.5(7) . . ?
C12 C17 H17 118.8 . . ?
C16 C17 H17 118.8 . . ?
C19 C18 C5 120.6(6) . . ?
C23 C18 C5 121.6(6) . . ?
C23 C18 C19 117.8(6) . . ?
C18 C19 H19 119.8 . . ?
C20 C19 C18 120.3(7) . . ?
C20 C19 H19 119.8 . . ?
C19 C20 H20 118.9 . . ?
C19 C20 C21 122.2(7) . . ?
C21 C20 H20 118.9 . . ?
C20 C21 C22 117.3(6) . . ?
C20 C21 C29 122.0(7) . . ?
C22 C21 C29 120.7(7) . . ?
C21 C22 H22 119.6 . . ?
C23 C22 C21 120.7(6) . . ?
C23 C22 H22 119.6 . . ?
C18 C23 H23 119.2 . . ?
C22 C23 C18 121.6(6) . . ?
C22 C23 H23 119.2 . . ?
O3 C24 Cr1 179.8(8) . . ?
O1 C25 Cr1 177.5(7) . . ?
O2 C26 Cr1 177.1(8) . . ?
C15 C27 H27A 109.5 . . ?
C15 C27 H27B 109.5 . . ?
C15 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C9 C28 H28A 109.5 . . ?
C9 C28 H28B 109.5 . . ?
C9 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C21 C29 H29A 109.5 . . ?
C21 C29 H29B 109.5 . . ?
C21 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
P2 C30 Cr2 73.8(2) . . ?
C31 C30 Cr2 71.2(4) . . ?
C31 C30 P2 123.5(5) . . ?
C31 C30 C35 118.2(6) . . ?
C35 C30 Cr2 128.4(4) . . ?
C35 C30 P2 118.3(5) . . ?
Cr2 C31 H31 116.3 . . ?
C30 C31 Cr2 71.5(4) . . ?
C30 C31 H31 116.3 . . ?
C32 C31 Cr2 72.4(5) . . ?
C32 C31 C30 125.2(7) . . ?
C32 C31 H31 116.3 . . ?
C31 C32 Cr2 71.1(4) . . ?
C31 C32 C33 120.2(6) . . ?
C31 C32 C41 118.9(7) . . ?
C33 C32 Cr2 70.2(4) . . ?
C33 C32 C41 120.8(7) . . ?
C41 C32 Cr2 130.3(5) . . ?
Cr2 C33 H33 116.0 . . ?
C32 C33 Cr2 72.5(4) . . ?
C32 C33 H33 116.0 . . ?
C34 C33 Cr2 73.1(4) . . ?
C34 C33 C32 126.0(6) . . ?
C34 C33 H33 116.0 . . ?
P2 C34 Cr2 73.0(2) . . ?
C33 C34 Cr2 70.6(4) . . ?
C33 C34 P2 123.1(6) . . ?
C33 C34 C47 117.2(6) . . ?
C47 C34 Cr2 128.2(5) . . ?
C47 C34 P2 119.5(5) . . ?
C36 C35 C30 122.3(6) . . ?
C36 C35 C40 118.3(6) . . ?
C40 C35 C30 119.4(6) . . ?
C35 C36 H36 119.1 . . ?
C37 C36 C35 121.7(6) . . ?
C37 C36 H36 119.1 . . ?
C36 C37 H37 119.7 . . ?
C36 C37 C38 120.5(7) . . ?
C38 C37 H37 119.7 . . ?
C37 C38 C57 120.4(7) . . ?
C39 C38 C37 117.5(7) . . ?
C39 C38 C57 122.0(8) . . ?
C38 C39 H39 118.7 . . ?
C40 C39 C38 122.6(7) . . ?
C40 C39 H39 118.7 . . ?
C35 C40 H40 120.4 . . ?
C39 C40 C35 119.3(7) . . ?
C39 C40 H40 120.4 . . ?
C42 C41 C32 122.0(7) . . ?
C42 C41 C46 117.6(7) . . ?
C46 C41 C32 120.4(7) . . ?
C41 C42 H42 119.0 . . ?
C41 C42 C43 122.0(8) . . ?
C43 C42 H42 119.0 . . ?
C42 C43 H43 119.7 . . ?
C44 C43 C42 120.7(9) . . ?
C44 C43 H43 119.7 . . ?
C43 C44 C45 117.9(8) . . ?
C43 C44 C56A 119(2) . . ?
C43 C44 C56B 120.2(14) . . ?
C45 C44 C56A 120.4(18) . . ?
C45 C44 C56B 120.4(14) . . ?
C44 C45 H45 119.1 . . ?
C46 C45 C44 121.7(8) . . ?
C46 C45 H45 119.1 . . ?
C41 C46 H46 120.0 . . ?
C45 C46 C41 120.0(8) . . ?
C45 C46 H46 120.0 . . ?
C48 C47 C34 120.0(6) . . ?
C52 C47 C34 121.8(7) . . ?
C52 C47 C48 118.1(7) . . ?
C47 C48 H48 120.1 . . ?
C49 C48 C47 119.8(7) . . ?
C49 C48 H48 120.1 . . ?
C48 C49 H49 119.0 . . ?
C50 C49 C48 122.1(7) . . ?
C50 C49 H49 119.0 . . ?
C49 C50 C51 118.0(7) . . ?
C49 C50 C58 120.9(7) . . ?
C51 C50 C58 121.1(7) . . ?
C50 C51 H51 119.5 . . ?
C52 C51 C50 121.1(7) . . ?
C52 C51 H51 119.5 . . ?
C47 C52 H52 119.5 . . ?
C51 C52 C47 120.9(7) . . ?
C51 C52 H52 119.5 . . ?
O4 C53 Cr2 179.2(7) . . ?
O5 C54 Cr2 178.0(7) . . ?
O6 C55 Cr2 176.7(7) . . ?
C44 C56A H56A 109.5 . . ?
C44 C56A H56B 109.5 . . ?
C44 C56A H56C 109.5 . . ?
H56A C56A H56B 109.5 . . ?
H56A C56A H56C 109.5 . . ?
H56B C56A H56C 109.5 . . ?
C38 C57 H57A 109.5 . . ?
C38 C57 H57B 109.5 . . ?
C38 C57 H57C 109.5 . . ?
H57A C57 H57B 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
C50 C58 H58A 109.5 . . ?
C50 C58 H58B 109.5 . . ?
C50 C58 H58C 109.5 . . ?
H58A C58 H58B 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?
Rh1 C59 H59 113.4 . . ?
C60 C59 Rh1 74.4(4) . . ?
C60 C59 H59 113.4 . . ?
C60 C59 C66 127.1(7) . . ?
C66 C59 Rh1 107.6(4) . . ?
C66 C59 H59 113.4 . . ?
Rh1 C60 H60 113.9 . . ?
C59 C60 Rh1 70.0(4) . . ?
C59 C60 H60 113.9 . . ?
C59 C60 C61 125.1(7) . . ?
C61 C60 Rh1 111.8(4) . . ?
C61 C60 H60 113.9 . . ?
C60 C61 H61A 109.1 . . ?
C60 C61 H61B 109.1 . . ?
C60 C61 C62 112.4(5) . . ?
H61A C61 H61B 107.8 . . ?
C62 C61 H61A 109.1 . . ?
C62 C61 H61B 109.1 . . ?
C61 C62 H62A 108.7 . . ?
C61 C62 H62B 108.7 . . ?
H62A C62 H62B 107.6 . . ?
C63 C62 C61 114.4(6) . . ?
C63 C62 H62A 108.7 . . ?
C63 C62 H62B 108.7 . . ?
Rh1 C63 H63 113.7 . . ?
C62 C63 Rh1 108.2(4) . . ?
C62 C63 H63 113.7 . . ?
C64 C63 Rh1 74.0(4) . . ?
C64 C63 C62 126.0(7) . . ?
C64 C63 H63 113.7 . . ?
Rh1 C64 H64 114.4 . . ?
C63 C64 Rh1 70.0(3) . . ?
C63 C64 H64 114.4 . . ?
C63 C64 C65 124.6(6) . . ?
C65 C64 Rh1 110.6(4) . . ?
C65 C64 H64 114.4 . . ?
C64 C65 H65A 108.9 . . ?
C64 C65 H65B 108.9 . . ?
C64 C65 C66 113.2(6) . . ?
H65A C65 H65B 107.7 . . ?
C66 C65 H65A 108.9 . . ?
C66 C65 H65B 108.9 . . ?
C59 C66 C65 113.4(6) . . ?
C59 C66 H66A 108.9 . . ?
C59 C66 H66B 108.9 . . ?
C65 C66 H66A 108.9 . . ?
C65 C66 H66B 108.9 . . ?
H66A C66 H66B 107.7 . . ?
C44 C56B H56D 109.5 . . ?
C44 C56B H56E 109.5 . . ?
C44 C56B H56F 109.5 . . ?
H56D C56B H56E 109.5 . . ?
H56D C56B H56F 109.5 . . ?
H56E C56B H56F 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C67 C68 C69 C70 -1.9(10) . . . . ?
C67 C68 C69 C73 -177.4(6) . . . . ?
C68 C67 C72 C71 -0.6(10) . . . . ?
C68 C67 B1 C75 -158.8(6) . . . . ?
C68 C67 B1 C83 -38.1(8) . . . . ?
C68 C67 B1 C91 81.2(8) . . . . ?
C68 C69 C70 C71 1.9(10) . . . . ?
C68 C69 C73 F1 86.4(8) . . . . ?
C68 C69 C73 F2 -35.0(9) . . . . ?
C68 C69 C73 F3 -153.8(6) . . . . ?
C69 C70 C71 C72 -1.4(10) . . . . ?
C69 C70 C71 C74 179.0(6) . . . . ?
C70 C69 C73 F1 -89.3(8) . . . . ?
C70 C69 C73 F2 149.4(6) . . . . ?
C70 C69 C73 F3 30.6(9) . . . . ?
C70 C71 C72 C67 0.8(11) . . . . ?
C70 C71 C74 F5 -167.5(8) . . . . ?
C70 C71 C74 F4 -51.9(11) . . . . ?
C70 C71 C74 F6 68.0(11) . . . . ?
C70 C71 C74 F4A 20(3) . . . . ?
C70 C71 C74 F6A 135(3) . . . . ?
C70 C71 C74 F5A -104(3) . . . . ?
C72 C67 C68 C69 1.1(10) . . . . ?
C72 C67 B1 C75 21.4(9) . . . . ?
C72 C67 B1 C83 142.1(6) . . . . ?
C72 C67 B1 C91 -98.6(7) . . . . ?
C72 C71 C74 F5 12.9(11) . . . . ?
C72 C71 C74 F4 128.6(9) . . . . ?
C72 C71 C74 F6 -111.6(11) . . . . ?
C72 C71 C74 F4A -160(3) . . . . ?
C72 C71 C74 F6A -45(3) . . . . ?
C72 C71 C74 F5A 76(3) . . . . ?
C73 C69 C70 C71 177.6(6) . . . . ?
C74 C71 C72 C67 -179.6(7) . . . . ?
C75 C76 C77 C78 2.3(11) . . . . ?
C75 C76 C77 C81 -178.6(8) . . . . ?
C76 C75 C80 C79 2.0(10) . . . . ?
C76 C75 B1 C67 -74.4(8) . . . . ?
C76 C75 B1 C83 165.2(6) . . . . ?
C76 C75 B1 C91 47.3(8) . . . . ?
C76 C77 C78 C79 0.0(11) . . . . ?
C76 C77 C81 F7 -31.6(12) . . . . ?
C76 C77 C81 F8 81.8(11) . . . . ?
C76 C77 C81 F9 -155.4(10) . . . . ?
C77 C78 C79 C80 -1.1(11) . . . . ?
C77 C78 C79 C82 -179.0(7) . . . . ?
C78 C77 C81 F7 147.5(8) . . . . ?
C78 C77 C81 F8 -99.0(10) . . . . ?
C78 C77 C81 F9 23.8(14) . . . . ?
C78 C79 C80 C75 0.1(11) . . . . ?
C78 C79 C82 F10 116.1(9) . . . . ?
C78 C79 C82 F11 -4.0(11) . . . . ?
C78 C79 C82 F12 -126.7(9) . . . . ?
C80 C75 C76 C77 -3.2(10) . . . . ?
C80 C75 B1 C67 100.7(8) . . . . ?
C80 C75 B1 C83 -19.7(9) . . . . ?
C80 C75 B1 C91 -137.6(7) . . . . ?
C80 C79 C82 F10 -61.7(10) . . . . ?
C80 C79 C82 F11 178.2(7) . . . . ?
C80 C79 C82 F12 55.4(10) . . . . ?
C81 C77 C78 C79 -179.1(8) . . . . ?
C82 C79 C80 C75 177.9(7) . . . . ?
C83 C84 C85 C86 -2.2(11) . . . . ?
C83 C84 C85 C89 176.9(7) . . . . ?
C84 C83 C88 C87 -2.1(10) . . . . ?
C84 C83 B1 C67 -49.5(8) . . . . ?
C84 C83 B1 C75 70.1(8) . . . . ?
C84 C83 B1 C91 -171.2(6) . . . . ?
C84 C85 C86 C87 1.7(11) . . . . ?
C84 C85 C89 F13 50.2(10) . . . . ?
C84 C85 C89 F14 -66.9(9) . . . . ?
C84 C85 C89 F15 171.0(7) . . . . ?
C85 C86 C87 C88 -1.6(11) . . . . ?
C85 C86 C87 C90 179.4(7) . . . . ?
C86 C85 C89 F13 -130.7(7) . . . . ?
C86 C85 C89 F14 112.2(8) . . . . ?
C86 C85 C89 F15 -9.9(11) . . . . ?
C86 C87 C88 C83 1.9(11) . . . . ?
C86 C87 C90 F16 -176.0(7) . . . . ?
C86 C87 C90 F17 64.5(9) . . . . ?
C86 C87 C90 F18 -55.9(10) . . . . ?
C88 C83 C84 C85 2.3(10) . . . . ?
C88 C83 B1 C67 133.5(6) . . . . ?
C88 C83 B1 C75 -106.9(7) . . . . ?
C88 C83 B1 C91 11.8(8) . . . . ?
C88 C87 C90 F16 5.0(11) . . . . ?
C88 C87 C90 F17 -114.5(8) . . . . ?
C88 C87 C90 F18 125.1(8) . . . . ?
C89 C85 C86 C87 -177.3(7) . . . . ?
C90 C87 C88 C83 -179.2(7) . . . . ?
C91 C92 C93 C94 0.0(11) . . . . ?
C91 C92 C93 C97 177.8(7) . . . . ?
C92 C91 C96 C95 1.8(10) . . . . ?
C92 C91 B1 C67 148.0(6) . . . . ?
C92 C91 B1 C75 28.2(9) . . . . ?
C92 C91 B1 C83 -91.4(7) . . . . ?
C92 C93 C94 C95 -0.6(11) . . . . ?
C92 C93 C97 F22 -66.5(9) . . . . ?
C92 C93 C97 F23 53.8(11) . . . . ?
C92 C93 C97 F24 173.6(7) . . . . ?
C93 C94 C95 C96 1.8(10) . . . . ?
C93 C94 C95 C98 -177.9(7) . . . . ?
C94 C93 C97 F22 111.4(8) . . . . ?
C94 C93 C97 F23 -128.4(8) . . . . ?
C94 C93 C97 F24 -8.5(11) . . . . ?
C94 C95 C96 C91 -2.5(11) . . . . ?
C94 C95 C98 F19A -129.3(11) . . . . ?
C94 C95 C98 F20A 111.3(9) . . . . ?
C94 C95 C98 F21A -7.1(12) . . . . ?
C94 C95 C98 F19B -80(2) . . . . ?
C94 C95 C98 F21B 37(3) . . . . ?
C94 C95 C98 F20B 163(2) . . . . ?
C96 C91 C92 C93 -0.6(10) . . . . ?
C96 C91 B1 C67 -35.3(9) . . . . ?
C96 C91 B1 C75 -155.1(6) . . . . ?
C96 C91 B1 C83 85.2(7) . . . . ?
C96 C95 C98 F19A 51.0(13) . . . . ?
C96 C95 C98 F20A -68.4(10) . . . . ?
C96 C95 C98 F21A 173.2(9) . . . . ?
C96 C95 C98 F19B 100(2) . . . . ?
C96 C95 C98 F21B -142(3) . . . . ?
C96 C95 C98 F20B -17(2) . . . . ?
C97 C93 C94 C95 -178.4(7) . . . . ?
C98 C95 C96 C91 177.2(6) . . . . ?
B1 C67 C68 C69 -178.7(6) . . . . ?
B1 C67 C72 C71 179.2(6) . . . . ?
B1 C75 C76 C77 172.4(6) . . . . ?
B1 C75 C80 C79 -173.3(6) . . . . ?
B1 C83 C84 C85 -175.0(6) . . . . ?
B1 C83 C88 C87 175.1(6) . . . . ?
B1 C91 C92 C93 176.3(7) . . . . ?
B1 C91 C96 C95 -175.0(6) . . . . ?
Rh1 P1 C1 Cr1 -146.07(15) . . . . ?
Rh1 P1 C1 C2 162.2(4) . . . . ?
Rh1 P1 C1 C6 -16.2(6) . . . . ?
Rh1 P1 C5 Cr1 145.59(14) . . . . ?
Rh1 P1 C5 C4 -161.1(4) . . . . ?
Rh1 P1 C5 C18 18.2(6) . . . . ?
Rh1 P2 C30 Cr2 -139.05(15) . . . . ?
Rh1 P2 C30 C31 167.4(4) . . . . ?
Rh1 P2 C30 C35 -13.7(6) . . . . ?
Rh1 P2 C34 Cr2 139.36(16) . . . . ?
Rh1 P2 C34 C33 -168.5(5) . . . . ?
Rh1 P2 C34 C47 14.6(7) . . . . ?
Rh1 C59 C60 C61 103.2(6) . . . . ?
Rh1 C59 C66 C65 -43.5(7) . . . . ?
Rh1 C60 C61 C62 -11.9(8) . . . . ?
Rh1 C63 C64 C65 101.8(6) . . . . ?
Rh1 C64 C65 C66 -13.3(8) . . . . ?
Cr1 P1 C1 C2 -51.7(5) . . . . ?
Cr1 P1 C1 C6 129.8(6) . . . . ?
Cr1 P1 C5 C4 53.3(5) . . . . ?
Cr1 P1 C5 C18 -127.4(6) . . . . ?
Cr1 C1 C2 C3 -53.8(6) . . . . ?
Cr1 C1 C6 C7 -134.5(6) . . . . ?
Cr1 C1 C6 C11 46.0(9) . . . . ?
Cr1 C2 C3 C4 -52.1(6) . . . . ?
Cr1 C2 C3 C12 130.6(6) . . . . ?
Cr1 C3 C4 C5 -51.8(6) . . . . ?
Cr1 C3 C12 C13 -64.2(9) . . . . ?
Cr1 C3 C12 C17 120.1(7) . . . . ?
Cr1 C4 C5 P1 -54.1(4) . . . . ?
Cr1 C4 C5 C18 126.6(6) . . . . ?
Cr1 C5 C18 C19 39.2(10) . . . . ?
Cr1 C5 C18 C23 -140.8(6) . . . . ?
Cr2 P2 C30 C31 -53.5(5) . . . . ?
Cr2 P2 C30 C35 125.3(5) . . . . ?
Cr2 P2 C34 C33 52.2(5) . . . . ?
Cr2 P2 C34 C47 -124.8(6) . . . . ?
Cr2 C30 C31 C32 -51.3(7) . . . . ?
Cr2 C30 C35 C36 43.6(9) . . . . ?
Cr2 C30 C35 C40 -135.1(6) . . . . ?
Cr2 C31 C32 C33 -52.2(6) . . . . ?
Cr2 C31 C32 C41 126.3(7) . . . . ?
Cr2 C32 C33 C34 -52.7(7) . . . . ?
Cr2 C32 C41 C42 53.7(13) . . . . ?
Cr2 C32 C41 C46 -126.5(9) . . . . ?
Cr2 C33 C34 P2 -53.2(5) . . . . ?
Cr2 C33 C34 C47 123.8(6) . . . . ?
Cr2 C34 C47 C48 30.0(9) . . . . ?
Cr2 C34 C47 C52 -151.1(6) . . . . ?
P1 C1 C2 Cr1 53.0(4) . . . . ?
P1 C1 C2 C3 -0.8(9) . . . . ?
P1 C1 C6 C7 131.8(6) . . . . ?
P1 C1 C6 C11 -47.7(8) . . . . ?
P1 C5 C18 C19 131.4(6) . . . . ?
P1 C5 C18 C23 -48.7(8) . . . . ?
P2 C30 C31 Cr2 54.7(4) . . . . ?
P2 C30 C31 C32 3.4(10) . . . . ?
P2 C30 C35 C36 -47.6(8) . . . . ?
P2 C30 C35 C40 133.6(6) . . . . ?
P2 C34 C47 C48 121.1(6) . . . . ?
P2 C34 C47 C52 -60.1(8) . . . . ?
C1 P1 C5 Cr1 -50.4(3) . . . . ?
C1 P1 C5 C4 2.9(6) . . . . ?
C1 P1 C5 C18 -177.8(5) . . . . ?
C1 C2 C3 Cr1 53.9(6) . . . . ?
C1 C2 C3 C4 1.8(10) . . . . ?
C1 C2 C3 C12 -175.5(6) . . . . ?
C1 C6 C7 C8 -176.9(7) . . . . ?
C1 C6 C11 C10 178.7(6) . . . . ?
C2 C1 C6 C7 -46.8(9) . . . . ?
C2 C1 C6 C11 133.8(7) . . . . ?
C2 C3 C4 Cr1 51.8(6) . . . . ?
C2 C3 C4 C5 0.0(10) . . . . ?
C2 C3 C12 C13 -153.7(6) . . . . ?
C2 C3 C12 C17 30.6(9) . . . . ?
C3 C4 C5 Cr1 51.6(6) . . . . ?
C3 C4 C5 P1 -2.5(10) . . . . ?
C3 C4 C5 C18 178.2(6) . . . . ?
C3 C12 C13 C14 -175.0(6) . . . . ?
C3 C12 C17 C16 176.1(7) . . . . ?
C4 C3 C12 C13 29.0(10) . . . . ?
C4 C3 C12 C17 -146.7(7) . . . . ?
C4 C5 C18 C19 -49.3(9) . . . . ?
C4 C5 C18 C23 130.7(7) . . . . ?
C5 P1 C1 Cr1 50.3(3) . . . . ?
C5 P1 C1 C2 -1.4(6) . . . . ?
C5 P1 C1 C6 -179.9(5) . . . . ?
C5 C18 C19 C20 179.8(7) . . . . ?
C5 C18 C23 C22 -179.6(7) . . . . ?
C6 C1 C2 Cr1 -128.5(6) . . . . ?
C6 C1 C2 C3 177.7(6) . . . . ?
C6 C7 C8 C9 -2.1(12) . . . . ?
C7 C6 C11 C10 -0.8(10) . . . . ?
C7 C8 C9 C10 -0.2(12) . . . . ?
C7 C8 C9 C28 -179.1(9) . . . . ?
C8 C9 C10 C11 2.0(12) . . . . ?
C9 C10 C11 C6 -1.5(11) . . . . ?
C11 C6 C7 C8 2.6(11) . . . . ?
C12 C3 C4 Cr1 -131.0(6) . . . . ?
C12 C3 C4 C5 177.2(6) . . . . ?
C12 C13 C14 C15 -1.0(11) . . . . ?
C13 C12 C17 C16 0.2(12) . . . . ?
C13 C14 C15 C16 0.3(12) . . . . ?
C13 C14 C15 C27 177.4(7) . . . . ?
C14 C15 C16 C17 0.7(12) . . . . ?
C15 C16 C17 C12 -0.9(13) . . . . ?
C17 C12 C13 C14 0.7(10) . . . . ?
C18 C19 C20 C21 0.8(13) . . . . ?
C19 C18 C23 C22 0.4(11) . . . . ?
C19 C20 C21 C22 -1.5(12) . . . . ?
C19 C20 C21 C29 179.5(8) . . . . ?
C20 C21 C22 C23 1.8(11) . . . . ?
C21 C22 C23 C18 -1.3(11) . . . . ?
C23 C18 C19 C20 -0.2(11) . . . . ?
C27 C15 C16 C17 -176.5(8) . . . . ?
C28 C9 C10 C11 -179.1(9) . . . . ?
C29 C21 C22 C23 -179.2(7) . . . . ?
C30 P2 C34 Cr2 -49.9(3) . . . . ?
C30 P2 C34 C33 2.2(7) . . . . ?
C30 P2 C34 C47 -174.7(5) . . . . ?
C30 C31 C32 Cr2 50.9(6) . . . . ?
C30 C31 C32 C33 -1.2(11) . . . . ?
C30 C31 C32 C41 177.2(7) . . . . ?
C30 C35 C36 C37 -179.2(6) . . . . ?
C30 C35 C40 C39 -179.0(6) . . . . ?
C31 C30 C35 C36 131.3(7) . . . . ?
C31 C30 C35 C40 -47.5(8) . . . . ?
C31 C32 C33 Cr2 52.5(6) . . . . ?
C31 C32 C33 C34 -0.2(12) . . . . ?
C31 C32 C41 C42 -35.3(13) . . . . ?
C31 C32 C41 C46 144.5(9) . . . . ?
C32 C33 C34 Cr2 52.4(7) . . . . ?
C32 C33 C34 P2 -0.7(11) . . . . ?
C32 C33 C34 C47 176.3(7) . . . . ?
C32 C41 C42 C43 178.4(10) . . . . ?
C32 C41 C46 C45 -179.5(10) . . . . ?
C33 C32 C41 C42 143.1(9) . . . . ?
C33 C32 C41 C46 -37.1(13) . . . . ?
C33 C34 C47 C48 -56.0(9) . . . . ?
C33 C34 C47 C52 122.8(7) . . . . ?
C34 P2 C30 Cr2 50.1(3) . . . . ?
C34 P2 C30 C31 -3.4(6) . . . . ?
C34 P2 C30 C35 175.4(5) . . . . ?
C34 C47 C48 C49 179.2(6) . . . . ?
C34 C47 C52 C51 -178.2(7) . . . . ?
C35 C30 C31 Cr2 -124.2(5) . . . . ?
C35 C30 C31 C32 -175.5(6) . . . . ?
C35 C36 C37 C38 -1.9(10) . . . . ?
C36 C35 C40 C39 2.2(10) . . . . ?
C36 C37 C38 C39 2.2(11) . . . . ?
C36 C37 C38 C57 -177.1(7) . . . . ?
C37 C38 C39 C40 -0.4(11) . . . . ?
C38 C39 C40 C35 -1.8(11) . . . . ?
C40 C35 C36 C37 -0.4(9) . . . . ?
C41 C32 C33 Cr2 -125.8(7) . . . . ?
C41 C32 C33 C34 -178.5(7) . . . . ?
C41 C42 C43 C44 1.1(19) . . . . ?
C42 C41 C46 C45 0.3(16) . . . . ?
C42 C43 C44 C45 0(2) . . . . ?
C42 C43 C44 C56A -162(4) . . . . ?
C42 C43 C44 C56B 166(3) . . . . ?
C43 C44 C45 C46 -1(2) . . . . ?
C44 C45 C46 C41 1(2) . . . . ?
C46 C41 C42 C43 -1.4(16) . . . . ?
C47 C48 C49 C50 -0.2(11) . . . . ?
C48 C47 C52 C51 0.7(11) . . . . ?
C48 C49 C50 C51 -0.8(11) . . . . ?
C48 C49 C50 C58 178.6(7) . . . . ?
C49 C50 C51 C52 1.7(11) . . . . ?
C50 C51 C52 C47 -1.7(11) . . . . ?
C52 C47 C48 C49 0.3(10) . . . . ?
C56A C44 C45 C46 161(4) . . . . ?
C57 C38 C39 C40 178.9(7) . . . . ?
C58 C50 C51 C52 -177.6(7) . . . . ?
C59 C60 C61 C62 -92.2(8) . . . . ?
C60 C59 C66 C65 39.9(10) . . . . ?
C60 C61 C62 C63 35.9(9) . . . . ?
C61 C62 C63 Rh1 -41.1(7) . . . . ?
C61 C62 C63 C64 41.9(9) . . . . ?
C62 C63 C64 Rh1 -101.1(6) . . . . ?
C62 C63 C64 C65 0.7(10) . . . . ?
C63 C64 C65 C66 -92.7(8) . . . . ?
C64 C65 C66 C59 38.6(9) . . . . ?
C66 C59 C60 Rh1 -100.4(7) . . . . ?
C66 C59 C60 C61 2.7(11) . . . . ?
C56B C44 C45 C46 -168(3) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: Toluene, DCM'
_chemical_properties_physical    Air-sensitive,Moisture-sensitive
####################################################################### 
# 
# 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_yel228
_database_code_depnum_ccdc_archive 'CCDC 2113814'
loop_
_audit_author_name
_audit_author_address
'Nathan Coles'
;FU Berlin
Germany
;
_audit_update_record             
;
2021-10-04 deposited with the CCDC.	2022-04-13 downloaded from the CCDC.
;
_audit_creation_date             2021-06-29
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_shelx_SHELXL_version_number     2018/3
loop_
_audit_author_email
N.T.Coles@fu-berlin.de
weber@chemie.fu-berlin.de
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C56 H38 Cr2 O8 P2 Rh2'
_chemical_formula_sum            'C56 H38 Cr2 O8 P2 Rh2'
_chemical_formula_weight         1210.62
_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'
Cr Cr 0.3209 0.6236 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   11.9464(15)
_cell_length_b                   25.216(3)
_cell_length_c                   8.2418(10)
_cell_angle_alpha                90
_cell_angle_beta                 109.916(4)
_cell_angle_gamma                90
_cell_volume                     2334.3(5)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9326
_cell_measurement_temperature    100.0
_cell_measurement_theta_max      29.60
_cell_measurement_theta_min      2.43
_shelx_estimated_absorpt_T_max   0.701
_shelx_estimated_absorpt_T_min   0.598
_exptl_absorpt_coefficient_mu    1.276
_exptl_absorpt_correction_T_max  0.7459
_exptl_absorpt_correction_T_min  0.6291
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0938 before and 0.0566 after correction.
The Ratio of minimum to maximum transmission is 0.8434.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            red
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.722
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       Block
_exptl_crystal_F_000             1212
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.3
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0315
_diffrn_reflns_av_unetI/netI     0.0285
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       35
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            29404
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.609
_diffrn_reflns_theta_min         2.429
_diffrn_ambient_temperature      100.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.0
_diffrn_source_power             0.05
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5711
_reflns_number_total             6531
_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       'SAINT V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.580
_refine_diff_density_min         -0.691
_refine_diff_density_rms         0.099
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.098
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     317
_refine_ls_number_reflns         6531
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0397
_refine_ls_R_factor_gt           0.0316
_refine_ls_restrained_S_all      1.098
_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)+(0.0204P)²+4.1293P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0647
_refine_ls_wR_factor_ref         0.0669
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C4(H4), C2(H2)
2.b Aromatic/amide H refined with riding coordinates:
 C7(H7), C20(H20), C11(H11), C24(H24), C8(H8), C23(H23), C16(H16), C13(H13),
 C17(H17), C9(H9), C21(H21), C14(H14), C22(H22), C10(H10)
2.c Idealised Me refined as rotating group:
 C18(H18A,H18B,H18C)
;
_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
Rh1 Rh 0.61557(2) 0.49965(2) 0.63093(2) 0.00685(5) Uani 1 1 d . . . . .
Cr1 Cr 0.24890(3) 0.57470(2) 0.48349(4) 0.00617(7) Uani 1 1 d . . . . .
P1 P 0.46133(5) 0.54620(2) 0.63505(7) 0.00621(10) Uani 1 1 d . . . . .
O4 O 0.27168(15) 0.59387(7) 0.1344(2) 0.0171(3) Uani 1 1 d . . . . .
O2 O 0.05232(15) 0.49435(7) 0.3504(2) 0.0197(4) Uani 1 1 d . . . . .
O3 O 0.04911(15) 0.64984(7) 0.3101(3) 0.0221(4) Uani 1 1 d . . . . .
O1 O 0.82194(16) 0.55074(8) 0.9102(3) 0.0259(4) Uani 1 1 d . . . . .
C6 C 0.35148(19) 0.46812(8) 0.7730(3) 0.0089(4) Uani 1 1 d . . . . .
C5 C 0.42985(18) 0.61558(8) 0.6083(3) 0.0076(4) Uani 1 1 d . . . . .
C26 C 0.13051(19) 0.52349(9) 0.4042(3) 0.0117(4) Uani 1 1 d . . . . .
C3 C 0.26288(18) 0.61477(8) 0.7306(3) 0.0080(4) Uani 1 1 d . . . . .
C4 C 0.34188(18) 0.64003(8) 0.6596(3) 0.0078(4) Uani 1 1 d . . . . .
H4 H 0.319204 0.676779 0.614925 0.009 Uiso 1 1 calc R U . . .
C1 C 0.35465(18) 0.52547(8) 0.7295(3) 0.0076(4) Uani 1 1 d . . . . .
C2 C 0.27222(18) 0.55955(8) 0.7641(3) 0.0085(4) Uani 1 1 d . . . . .
H2 H 0.203987 0.542365 0.787915 0.010 Uiso 1 1 calc R U . . .
C28 C 0.27113(18) 0.58053(9) 0.2682(3) 0.0108(4) Uani 1 1 d . . . . .
C19 C 0.49564(18) 0.65088(8) 0.5266(3) 0.0082(4) Uani 1 1 d . . . . .
C12 C 0.17735(18) 0.64695(8) 0.7849(3) 0.0084(4) Uani 1 1 d . . . . .
C7 C 0.4574(2) 0.44108(9) 0.8553(3) 0.0111(4) Uani 1 1 d . . . . .
H7 H 0.531426 0.458558 0.876074 0.013 Uiso 1 1 calc R U . . .
C27 C 0.12601(19) 0.62145(9) 0.3791(3) 0.0126(4) Uani 1 1 d . . . . .
C20 C 0.4343(2) 0.68636(9) 0.3954(3) 0.0124(4) Uani 1 1 d . . . . .
H20 H 0.349782 0.685179 0.349313 0.015 Uiso 1 1 calc R U . . .
C11 C 0.2428(2) 0.44164(9) 0.7423(3) 0.0135(4) Uani 1 1 d . . . . .
H11 H 0.169799 0.459397 0.685082 0.016 Uiso 1 1 calc R U . . .
C24 C 0.62011(19) 0.65286(9) 0.5896(3) 0.0124(4) Uani 1 1 d . . . . .
H24 H 0.663455 0.628687 0.676826 0.015 Uiso 1 1 calc R U . . .
C25 C 0.7411(2) 0.53146(9) 0.8117(3) 0.0134(4) Uani 1 1 d . . . . .
C8 C 0.4555(2) 0.38851(9) 0.9073(3) 0.0138(4) Uani 1 1 d . . . . .
H8 H 0.528225 0.370273 0.962207 0.017 Uiso 1 1 calc R U . . .
C23 C 0.6814(2) 0.68998(9) 0.5258(3) 0.0163(5) Uani 1 1 d . . . . .
H23 H 0.765905 0.691075 0.570196 0.020 Uiso 1 1 calc R U . . .
C16 C 0.1386(2) 0.72433(8) 0.9320(3) 0.0119(4) Uani 1 1 d . . . . .
H16 H 0.164834 0.757192 0.988496 0.014 Uiso 1 1 calc R U . . .
C13 C 0.06414(19) 0.62779(8) 0.7677(3) 0.0114(4) Uani 1 1 d . . . . .
H13 H 0.037858 0.594964 0.710924 0.014 Uiso 1 1 calc R U . . .
C17 C 0.21356(19) 0.69544(8) 0.8671(3) 0.0103(4) Uani 1 1 d . . . . .
H17 H 0.290175 0.708973 0.879036 0.012 Uiso 1 1 calc R U . . .
C9 C 0.3481(2) 0.36289(9) 0.8790(3) 0.0159(5) Uani 1 1 d . . . . .
H9 H 0.346905 0.327312 0.916311 0.019 Uiso 1 1 calc R U . . .
C21 C 0.4955(2) 0.72329(9) 0.3317(3) 0.0143(4) Uani 1 1 d . . . . .
H21 H 0.452741 0.747148 0.242984 0.017 Uiso 1 1 calc R U . . .
C14 C -0.01043(19) 0.65660(9) 0.8333(3) 0.0127(4) Uani 1 1 d . . . . .
H14 H -0.086633 0.642812 0.822490 0.015 Uiso 1 1 calc R U . . .
C22 C 0.6190(2) 0.72524(9) 0.3978(3) 0.0158(5) Uani 1 1 d . . . . .
H22 H 0.660797 0.750705 0.355293 0.019 Uiso 1 1 calc R U . . .
C10 C 0.2421(2) 0.38937(9) 0.7959(3) 0.0178(5) Uani 1 1 d . . . . .
H10 H 0.168424 0.371624 0.775485 0.021 Uiso 1 1 calc R U . . .
C15 C 0.0250(2) 0.70533(9) 0.9145(3) 0.0126(4) Uani 1 1 d . . . . .
C18 C -0.0585(2) 0.73755(10) 0.9776(3) 0.0187(5) Uani 1 1 d . . . . .
H18A H -0.012215 0.761516 1.069561 0.028 Uiso 1 1 calc R U . . .
H18B H -0.105877 0.713692 1.022341 0.028 Uiso 1 1 calc R U . . .
H18C H -0.111669 0.758352 0.881749 0.028 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Rh1 Rh1 2.8675(4) 3_666 ?
Rh1 Cr1 2.8400(4) 3_666 ?
Rh1 P1 2.1947(6) . ?
Rh1 P1 2.3695(6) 3_666 ?
Rh1 C28 2.418(2) 3_666 ?
Rh1 C25 1.895(2) . ?
Cr1 P1 2.5214(7) . ?
Cr1 C5 2.298(2) . ?
Cr1 C26 1.861(2) . ?
Cr1 C3 2.228(2) . ?
Cr1 C4 2.226(2) . ?
Cr1 C1 2.346(2) . ?
Cr1 C2 2.265(2) . ?
Cr1 C28 1.887(2) . ?
Cr1 C27 1.851(2) . ?
P1 C5 1.787(2) . ?
P1 C1 1.783(2) . ?
O4 C28 1.155(3) . ?
O2 C26 1.152(3) . ?
O3 C27 1.151(3) . ?
O1 C25 1.137(3) . ?
C6 C1 1.493(3) . ?
C6 C7 1.393(3) . ?
C6 C11 1.405(3) . ?
C5 C4 1.402(3) . ?
C5 C19 1.491(3) . ?
C3 C4 1.419(3) . ?
C3 C2 1.416(3) . ?
C3 C12 1.488(3) . ?
C4 H4 1.0000 . ?
C1 C2 1.407(3) . ?
C2 H2 1.0000 . ?
C19 C20 1.403(3) . ?
C19 C24 1.399(3) . ?
C12 C13 1.397(3) . ?
C12 C17 1.393(3) . ?
C7 H7 0.9500 . ?
C7 C8 1.396(3) . ?
C20 H20 0.9500 . ?
C20 C21 1.393(3) . ?
C11 H11 0.9500 . ?
C11 C10 1.391(3) . ?
C24 H24 0.9500 . ?
C24 C23 1.397(3) . ?
C8 H8 0.9500 . ?
C8 C9 1.384(3) . ?
C23 H23 0.9500 . ?
C23 C22 1.387(3) . ?
C16 H16 0.9500 . ?
C16 C17 1.395(3) . ?
C16 C15 1.400(3) . ?
C13 H13 0.9500 . ?
C13 C14 1.393(3) . ?
C17 H17 0.9500 . ?
C9 H9 0.9500 . ?
C9 C10 1.389(3) . ?
C21 H21 0.9500 . ?
C21 C22 1.389(3) . ?
C14 H14 0.9500 . ?
C14 C15 1.394(3) . ?
C22 H22 0.9500 . ?
C10 H10 0.9500 . ?
C15 C18 1.509(3) . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 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
Cr1 Rh1 Rh1 105.421(12) 3_666 3_666 ?
P1 Rh1 Rh1 48.412(14) 3_666 3_666 ?
P1 Rh1 Rh1 53.847(16) . 3_666 ?
P1 Rh1 Cr1 159.196(17) . 3_666 ?
P1 Rh1 Cr1 57.037(15) 3_666 3_666 ?
P1 Rh1 P1 102.260(19) . 3_666 ?
P1 Rh1 C28 144.74(5) . 3_666 ?
P1 Rh1 C28 84.56(5) 3_666 3_666 ?
C28 Rh1 Rh1 123.14(5) 3_666 3_666 ?
C28 Rh1 Cr1 41.10(5) 3_666 3_666 ?
C25 Rh1 Rh1 152.95(7) . 3_666 ?
C25 Rh1 Cr1 98.76(7) . 3_666 ?
C25 Rh1 P1 101.85(7) . . ?
C25 Rh1 P1 152.57(7) . 3_666 ?
C25 Rh1 C28 83.29(9) . 3_666 ?
P1 Cr1 Rh1 52.042(15) . 3_666 ?
C5 Cr1 Rh1 83.63(5) . 3_666 ?
C5 Cr1 P1 43.23(5) . . ?
C5 Cr1 C1 72.71(7) . . ?
C26 Cr1 Rh1 82.90(7) . 3_666 ?
C26 Cr1 P1 119.50(7) . . ?
C26 Cr1 C5 162.73(9) . . ?
C26 Cr1 C3 116.55(9) . . ?
C26 Cr1 C4 153.24(9) . . ?
C26 Cr1 C1 93.30(9) . . ?
C26 Cr1 C2 93.21(9) . . ?
C26 Cr1 C28 93.29(10) . . ?
C3 Cr1 Rh1 136.81(6) . 3_666 ?
C3 Cr1 P1 85.81(6) . . ?
C3 Cr1 C5 67.73(7) . . ?
C3 Cr1 C1 66.38(7) . . ?
C3 Cr1 C2 36.74(7) . . ?
C4 Cr1 Rh1 119.39(5) . 3_666 ?
C4 Cr1 P1 72.15(5) . . ?
C4 Cr1 C5 36.07(7) . . ?
C4 Cr1 C3 37.16(7) . . ?
C4 Cr1 C1 79.97(8) . . ?
C4 Cr1 C2 66.33(8) . . ?
C1 Cr1 Rh1 74.78(5) . 3_666 ?
C1 Cr1 P1 42.79(5) . . ?
C2 Cr1 Rh1 109.99(5) . 3_666 ?
C2 Cr1 P1 72.13(5) . . ?
C2 Cr1 C5 81.30(7) . . ?
C2 Cr1 C1 35.49(7) . . ?
C28 Cr1 Rh1 57.36(7) . 3_666 ?
C28 Cr1 P1 92.74(7) . . ?
C28 Cr1 C5 88.50(8) . . ?
C28 Cr1 C3 146.43(9) . . ?
C28 Cr1 C4 110.89(9) . . ?
C28 Cr1 C1 130.32(8) . . ?
C28 Cr1 C2 164.82(8) . . ?
C27 Cr1 Rh1 135.87(7) . 3_666 ?
C27 Cr1 P1 156.49(7) . . ?
C27 Cr1 C5 113.50(9) . . ?
C27 Cr1 C26 83.75(10) . . ?
C27 Cr1 C3 86.38(9) . . ?
C27 Cr1 C4 88.42(9) . . ?
C27 Cr1 C1 147.93(9) . . ?
C27 Cr1 C2 112.61(9) . . ?
C27 Cr1 C28 81.75(10) . . ?
Rh1 P1 Rh1 77.743(18) . 3_666 ?
Rh1 P1 Cr1 148.58(3) . . ?
Rh1 P1 Cr1 70.918(17) 3_666 . ?
C5 P1 Rh1 131.62(7) . . ?
C5 P1 Rh1 111.39(7) . 3_666 ?
C5 P1 Cr1 61.70(7) . . ?
C1 P1 Rh1 125.35(7) . . ?
C1 P1 Rh1 98.70(7) . 3_666 ?
C1 P1 Cr1 63.34(7) . . ?
C1 P1 C5 100.90(9) . . ?
C7 C6 C1 119.84(19) . . ?
C7 C6 C11 119.1(2) . . ?
C11 C6 C1 120.97(19) . . ?
P1 C5 Cr1 75.07(7) . . ?
C4 C5 Cr1 69.20(11) . . ?
C4 C5 P1 122.75(15) . . ?
C4 C5 C19 115.99(18) . . ?
C19 C5 Cr1 128.74(15) . . ?
C19 C5 P1 121.25(15) . . ?
O2 C26 Cr1 175.7(2) . . ?
C4 C3 Cr1 71.35(12) . . ?
C4 C3 C12 120.01(18) . . ?
C2 C3 Cr1 73.06(12) . . ?
C2 C3 C4 120.14(18) . . ?
C2 C3 C12 119.62(18) . . ?
C12 C3 Cr1 132.60(15) . . ?
Cr1 C4 H4 115.7 . . ?
C5 C4 Cr1 74.74(12) . . ?
C5 C4 C3 126.79(18) . . ?
C5 C4 H4 115.7 . . ?
C3 C4 Cr1 71.49(12) . . ?
C3 C4 H4 115.7 . . ?
P1 C1 Cr1 73.87(7) . . ?
C6 C1 Cr1 132.05(15) . . ?
C6 C1 P1 117.98(14) . . ?
C2 C1 Cr1 69.14(12) . . ?
C2 C1 P1 124.25(16) . . ?
C2 C1 C6 117.77(18) . . ?
Cr1 C2 H2 116.7 . . ?
C3 C2 Cr1 70.20(12) . . ?
C3 C2 H2 116.7 . . ?
C1 C2 Cr1 75.38(12) . . ?
C1 C2 C3 125.10(19) . . ?
C1 C2 H2 116.7 . . ?
Cr1 C28 Rh1 81.54(8) . 3_666 ?
O4 C28 Rh1 112.79(16) . 3_666 ?
O4 C28 Cr1 165.63(19) . . ?
C20 C19 C5 120.76(19) . . ?
C24 C19 C5 120.72(19) . . ?
C24 C19 C20 118.27(19) . . ?
C13 C12 C3 121.39(19) . . ?
C17 C12 C3 119.58(19) . . ?
C17 C12 C13 118.84(19) . . ?
C6 C7 H7 119.7 . . ?
C6 C7 C8 120.5(2) . . ?
C8 C7 H7 119.7 . . ?
O3 C27 Cr1 178.2(2) . . ?
C19 C20 H20 119.5 . . ?
C21 C20 C19 120.9(2) . . ?
C21 C20 H20 119.5 . . ?
C6 C11 H11 120.1 . . ?
C10 C11 C6 119.9(2) . . ?
C10 C11 H11 120.1 . . ?
C19 C24 H24 119.6 . . ?
C23 C24 C19 120.7(2) . . ?
C23 C24 H24 119.6 . . ?
O1 C25 Rh1 173.9(2) . . ?
C7 C8 H8 119.9 . . ?
C9 C8 C7 120.2(2) . . ?
C9 C8 H8 119.9 . . ?
C24 C23 H23 119.9 . . ?
C22 C23 C24 120.1(2) . . ?
C22 C23 H23 119.9 . . ?
C17 C16 H16 119.7 . . ?
C17 C16 C15 120.6(2) . . ?
C15 C16 H16 119.7 . . ?
C12 C13 H13 119.8 . . ?
C14 C13 C12 120.3(2) . . ?
C14 C13 H13 119.8 . . ?
C12 C17 C16 120.7(2) . . ?
C12 C17 H17 119.6 . . ?
C16 C17 H17 119.6 . . ?
C8 C9 H9 120.1 . . ?
C8 C9 C10 119.7(2) . . ?
C10 C9 H9 120.1 . . ?
C20 C21 H21 120.0 . . ?
C22 C21 C20 120.0(2) . . ?
C22 C21 H21 120.0 . . ?
C13 C14 H14 119.5 . . ?
C13 C14 C15 121.1(2) . . ?
C15 C14 H14 119.5 . . ?
C23 C22 C21 119.9(2) . . ?
C23 C22 H22 120.0 . . ?
C21 C22 H22 120.0 . . ?
C11 C10 H10 119.7 . . ?
C9 C10 C11 120.6(2) . . ?
C9 C10 H10 119.7 . . ?
C16 C15 C18 120.8(2) . . ?
C14 C15 C16 118.43(19) . . ?
C14 C15 C18 120.8(2) . . ?
C15 C18 H18A 109.5 . . ?
C15 C18 H18B 109.5 . . ?
C15 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Rh1 Cr1 C28 O4 -176.1(8) 3_666 . . . ?
Rh1 P1 C5 Cr1 144.90(5) . . . . ?
Rh1 P1 C5 Cr1 52.44(6) 3_666 . . . ?
Rh1 P1 C5 C4 104.95(18) 3_666 . . . ?
Rh1 P1 C5 C4 -162.59(14) . . . . ?
Rh1 P1 C5 C19 -74.13(17) 3_666 . . . ?
Rh1 P1 C5 C19 18.3(2) . . . . ?
Rh1 P1 C1 Cr1 -63.46(4) 3_666 . . . ?
Rh1 P1 C1 Cr1 -144.55(5) . . . . ?
Rh1 P1 C1 C6 66.02(16) 3_666 . . . ?
Rh1 P1 C1 C6 -15.1(2) . . . . ?
Rh1 P1 C1 C2 165.65(15) . . . . ?
Rh1 P1 C1 C2 -113.25(18) 3_666 . . . ?
Cr1 P1 C5 C4 52.51(16) . . . . ?
Cr1 P1 C5 C19 -126.57(19) . . . . ?
Cr1 P1 C1 C6 129.48(18) . . . . ?
Cr1 P1 C1 C2 -49.80(17) . . . . ?
Cr1 C5 C4 C3 52.0(2) . . . . ?
Cr1 C5 C19 C20 35.7(3) . . . . ?
Cr1 C5 C19 C24 -150.14(17) . . . . ?
Cr1 C3 C4 C5 -53.3(2) . . . . ?
Cr1 C3 C2 C1 54.5(2) . . . . ?
Cr1 C3 C12 C13 53.8(3) . . . . ?
Cr1 C3 C12 C17 -131.3(2) . . . . ?
Cr1 C1 C2 C3 -52.3(2) . . . . ?
P1 Cr1 C28 Rh1 40.36(5) . . . 3_666 ?
P1 Cr1 C28 O4 -135.8(8) . . . . ?
P1 C5 C4 Cr1 -55.10(15) . . . . ?
P1 C5 C4 C3 -3.0(3) . . . . ?
P1 C5 C19 C20 131.49(19) . . . . ?
P1 C5 C19 C24 -54.4(3) . . . . ?
P1 C1 C2 Cr1 51.74(15) . . . . ?
P1 C1 C2 C3 -0.6(3) . . . . ?
C6 C1 C2 Cr1 -127.54(18) . . . . ?
C6 C1 C2 C3 -179.9(2) . . . . ?
C6 C7 C8 C9 -0.6(3) . . . . ?
C6 C11 C10 C9 -0.3(4) . . . . ?
C5 Cr1 C28 Rh1 83.39(7) . . . 3_666 ?
C5 Cr1 C28 O4 -92.7(8) . . . . ?
C5 P1 C1 Cr1 50.44(8) . . . . ?
C5 P1 C1 C6 179.92(16) . . . . ?
C5 P1 C1 C2 0.6(2) . . . . ?
C5 C19 C20 C21 173.1(2) . . . . ?
C5 C19 C24 C23 -173.0(2) . . . . ?
C26 Cr1 C28 Rh1 -79.41(8) . . . 3_666 ?
C26 Cr1 C28 O4 104.5(8) . . . . ?
C3 Cr1 C28 Rh1 126.92(13) . . . 3_666 ?
C3 Cr1 C28 O4 -49.2(8) . . . . ?
C3 C12 C13 C14 174.3(2) . . . . ?
C3 C12 C17 C16 -174.7(2) . . . . ?
C4 Cr1 C28 Rh1 112.29(7) . . . 3_666 ?
C4 Cr1 C28 O4 -63.8(8) . . . . ?
C4 C5 C19 C20 -47.6(3) . . . . ?
C4 C5 C19 C24 126.5(2) . . . . ?
C4 C3 C2 Cr1 -55.71(18) . . . . ?
C4 C3 C2 C1 -1.2(3) . . . . ?
C4 C3 C12 C13 145.5(2) . . . . ?
C4 C3 C12 C17 -39.6(3) . . . . ?
C1 Cr1 C28 Rh1 17.73(12) . . . 3_666 ?
C1 Cr1 C28 O4 -158.4(7) . . . . ?
C1 P1 C5 Cr1 -51.49(8) . . . . ?
C1 P1 C5 C4 1.0(2) . . . . ?
C1 P1 C5 C19 -178.06(17) . . . . ?
C1 C6 C7 C8 175.63(19) . . . . ?
C1 C6 C11 C10 -175.1(2) . . . . ?
C2 Cr1 C28 Rh1 35.8(4) . . . 3_666 ?
C2 Cr1 C28 O4 -140.3(7) . . . . ?
C2 C3 C4 Cr1 56.53(18) . . . . ?
C2 C3 C4 C5 3.2(3) . . . . ?
C2 C3 C12 C13 -40.0(3) . . . . ?
C2 C3 C12 C17 134.9(2) . . . . ?
C19 C5 C4 Cr1 124.02(18) . . . . ?
C19 C5 C4 C3 176.1(2) . . . . ?
C19 C20 C21 C22 0.2(3) . . . . ?
C19 C24 C23 C22 -0.4(4) . . . . ?
C12 C3 C4 Cr1 -129.05(19) . . . . ?
C12 C3 C4 C5 177.6(2) . . . . ?
C12 C3 C2 Cr1 129.85(19) . . . . ?
C12 C3 C2 C1 -175.7(2) . . . . ?
C12 C13 C14 C15 1.1(3) . . . . ?
C7 C6 C1 Cr1 138.00(19) . . . . ?
C7 C6 C1 P1 44.8(3) . . . . ?
C7 C6 C1 C2 -135.9(2) . . . . ?
C7 C6 C11 C10 0.8(3) . . . . ?
C7 C8 C9 C10 1.1(4) . . . . ?
C27 Cr1 C28 Rh1 -162.60(9) . . . 3_666 ?
C27 Cr1 C28 O4 21.3(8) . . . . ?
C20 C19 C24 C23 1.3(3) . . . . ?
C20 C21 C22 C23 0.7(4) . . . . ?
C11 C6 C1 Cr1 -46.1(3) . . . . ?
C11 C6 C1 P1 -139.29(19) . . . . ?
C11 C6 C1 C2 40.0(3) . . . . ?
C11 C6 C7 C8 -0.3(3) . . . . ?
C24 C19 C20 C21 -1.2(3) . . . . ?
C24 C23 C22 C21 -0.6(4) . . . . ?
C8 C9 C10 C11 -0.7(4) . . . . ?
C13 C12 C17 C16 0.3(3) . . . . ?
C13 C14 C15 C16 -1.3(3) . . . . ?
C13 C14 C15 C18 177.0(2) . . . . ?
C17 C12 C13 C14 -0.6(3) . . . . ?
C17 C16 C15 C14 1.0(3) . . . . ?
C17 C16 C15 C18 -177.3(2) . . . . ?
C15 C16 C17 C12 -0.5(3) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent'
_chemical_properties_physical    Air-sensitive,Moisture-sensitive
####################################################################### 
# 
# 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_yel144
_database_code_depnum_ccdc_archive 'CCDC 2113813'
loop_
_audit_author_name
_audit_author_address
'Nathan Coles'
;FU Berlin
Germany
;
_audit_update_record             
;
2021-10-04 deposited with the CCDC.	2022-04-13 downloaded from the CCDC.
;
_audit_creation_date             2021-06-29
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_shelx_SHELXL_version_number     2018/3
loop_
_audit_author_email
N.T.Coles@fu-berlin.de
weber@chemie.fu-berlin.de
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C54 H34 Cr2 O8 P2 Rh2, 2(C4 H8 O)'
_chemical_formula_sum            'C62 H50 Cr2 O10 P2 Rh2'
_chemical_formula_weight         1326.78
_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'
Cr Cr 0.3209 0.6236 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   12.8929(5)
_cell_length_b                   21.8724(11)
_cell_length_c                   9.5156(5)
_cell_angle_alpha                90
_cell_angle_beta                 94.066(2)
_cell_angle_gamma                90
_cell_volume                     2676.6(2)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9988
_cell_measurement_temperature    99.94
_cell_measurement_theta_max      29.61
_cell_measurement_theta_min      2.44
_shelx_estimated_absorpt_T_max   0.916
_shelx_estimated_absorpt_T_min   0.632
_exptl_absorpt_coefficient_mu    1.123
_exptl_absorpt_correction_T_max  0.7459
_exptl_absorpt_correction_T_min  0.6346
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1360 before and 0.0688 after correction.
The Ratio of minimum to maximum transmission is 0.8508.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.646
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       Needle
_exptl_crystal_F_000             1340
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.08
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0532
_diffrn_reflns_av_unetI/netI     0.0487
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            32385
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.625
_diffrn_reflns_theta_min         2.339
_diffrn_ambient_temperature      99.94
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.0
_diffrn_source_power             0.05
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5982
_reflns_number_total             7491
_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       'SAINT V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.592
_refine_diff_density_min         -1.347
_refine_diff_density_rms         0.128
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     353
_refine_ls_number_reflns         7491
_refine_ls_number_restraints     33
_refine_ls_R_factor_all          0.0606
_refine_ls_R_factor_gt           0.0408
_refine_ls_restrained_S_all      1.072
_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)+(0.0262P)²+8.1491P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0821
_refine_ls_wR_factor_ref         0.0891
_refine_special_details          
;
The crystal contains half a molecule of a dimeric species per asymmetric 
unit along with an additional molecule of THF. The para phenyl ring exhibits 
rotational disorder and was modelled in two positions in a ratio of 62:48. 
Thermal and ring constraints were applied to the disordered atoms. Atoms in 
Part 1 also required the use of a flat restraint to prevent bending of the ring. 
The THF molecule appears to be disordered but any attempts to resolve this lead 
to a failing of the model and so this was not pursued further. 
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2. Restrained planarity
 C12, C17, C16, C15, C14, C13
 with sigma of 0.01
3. Uiso/Uaniso restraints and constraints
Uanis(C13) = Uanis(C13A)
Uanis(C14) = Uanis(C14A)
Uanis(C16) = Uanis(C16A)
Uanis(C17) = Uanis(C17A)
4. Rigid body (RIGU) restrains
 O5, C1A, H1AA, H1AB, C1B, H1BA, H1BB, C1C, H1CA, H1CB, C1D, H1DA, H1DB
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
5. Others
 Sof(C13A)=Sof(H13A)=Sof(C14A)=Sof(H14A)=Sof(H15A)=Sof(C16A)=Sof(H16A)=
 Sof(C17A)=Sof(H17A)=1-FVAR(1)
 Sof(H15)=Sof(C14)=Sof(H14)=Sof(C13)=Sof(H13)=Sof(C17)=Sof(H17)=Sof(C16)=
 Sof(H16)=FVAR(1)
6.a Ternary CH refined with riding coordinates:
 C2(H2), C4(H4)
6.b Secondary CH2 refined with riding coordinates:
 C1A(H1AA,H1AB), C1B(H1BA,H1BB), C1C(H1CA,H1CB), C1D(H1DA,H1DB)
6.c Aromatic/amide H refined with riding coordinates:
 C7(H7), C8(H8), C9(H9), C10(H10), C11(H11), C13A(H13A), C14A(H14A), C15(H15A),
  C15(H15), C16A(H16A), C17A(H17A), C19(H19), C20(H20), C21(H21), C22(H22),
 C23(H23), C14(H14), C13(H13), C17(H17), C16(H16)
6.d Fitted hexagon refined as free rotating group:
 C12(C13A,C14A,C15,C16A,C17A)
;
_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
Rh1 Rh -0.00375(2) 0.53648(2) 0.37373(2) 0.00830(6) Uani 1 1 d . . . . .
Cr1 Cr 0.21735(3) 0.45250(2) 0.70528(5) 0.00949(10) Uani 1 1 d . . . . .
P1 P 0.13676(5) 0.50913(3) 0.49887(7) 0.00828(14) Uani 1 1 d . . . . .
O1 O 0.09145(18) 0.61781(11) 0.1605(2) 0.0227(5) Uani 1 1 d . . . . .
O2 O 0.10691(18) 0.33108(10) 0.6732(3) 0.0231(5) Uani 1 1 d . . . . .
O3 O 0.11458(17) 0.50338(10) 0.9560(2) 0.0183(5) Uani 1 1 d . . . . .
O4 O 0.3386(2) 0.37370(13) 0.9171(3) 0.0330(6) Uani 1 1 d . . . . .
C1 C 0.2251(2) 0.44916(12) 0.4631(3) 0.0099(5) Uani 1 1 d . . . . .
C2 C 0.3257(2) 0.44376(14) 0.5285(3) 0.0136(6) Uani 1 1 d . . . . .
H2 H 0.360771 0.403310 0.519346 0.016 Uiso 1 1 calc R U . . .
C3 C 0.3700(2) 0.48364(14) 0.6337(3) 0.0144(6) Uani 1 1 d . . . . .
C4 C 0.3159(2) 0.53663(13) 0.6722(3) 0.0134(5) Uani 1 1 d . . . . .
H4 H 0.344431 0.557669 0.759901 0.016 Uiso 1 1 calc R U . . .
C5 C 0.2149(2) 0.55349(12) 0.6235(3) 0.0102(5) Uani 1 1 d . . . . .
C6 C 0.1905(2) 0.40040(13) 0.3602(3) 0.0114(5) Uani 1 1 d . . . . .
C7 C 0.1319(2) 0.41513(14) 0.2355(3) 0.0153(6) Uani 1 1 d . . . . .
H7 H 0.108257 0.455855 0.219794 0.018 Uiso 1 1 calc R U . . .
C8 C 0.1083(3) 0.37043(14) 0.1343(3) 0.0186(6) Uani 1 1 d . . . . .
H8 H 0.069194 0.381052 0.049416 0.022 Uiso 1 1 calc R U . . .
C9 C 0.1409(3) 0.31076(14) 0.1558(3) 0.0190(6) Uani 1 1 d . . . . .
H9 H 0.125014 0.280568 0.085748 0.023 Uiso 1 1 calc R U . . .
C10 C 0.1972(3) 0.29532(14) 0.2808(4) 0.0212(7) Uani 1 1 d . . . . .
H10 H 0.218786 0.254249 0.297135 0.025 Uiso 1 1 calc R U . . .
C11 C 0.2218(2) 0.33955(14) 0.3815(3) 0.0179(6) Uani 1 1 d . . . . .
H11 H 0.260520 0.328527 0.466371 0.022 Uiso 1 1 calc R U . . .
C12 C 0.47720(16) 0.47147(13) 0.7001(3) 0.0183(6) Uani 1 1 d G . . . .
C13A C 0.5196(3) 0.41303(12) 0.7000(5) 0.0203(10) Uani 0.400(4) 1 d G . P A 2
H13A H 0.480709 0.380194 0.657449 0.024 Uiso 0.400(4) 1 calc R U P A 2
C14A C 0.6188(3) 0.40265(13) 0.7622(6) 0.0258(11) Uani 0.400(4) 1 d G . P A 2
H14A H 0.647797 0.362714 0.762171 0.031 Uiso 0.400(4) 1 calc R U P A 2
C15 C 0.67570(17) 0.45070(16) 0.8246(3) 0.0319(9) Uani 1 1 d G . . A .
H15A H 0.743539 0.443602 0.867075 0.038 Uiso 0.400(4) 1 calc R U P A 2
H15 H 0.746556 0.449438 0.859460 0.038 Uiso 0.600(4) 1 calc R U P A 1
C16A C 0.6333(3) 0.50913(14) 0.8247(5) 0.0328(13) Uani 0.400(4) 1 d G . P A 2
H16A H 0.672193 0.541970 0.867258 0.039 Uiso 0.400(4) 1 calc R U P A 2
C17A C 0.5341(3) 0.51952(11) 0.7625(5) 0.0292(12) Uani 0.400(4) 1 d G . P A 2
H17A H 0.505105 0.559451 0.762537 0.035 Uiso 0.400(4) 1 calc R U P A 2
C18 C 0.1720(2) 0.61100(13) 0.6823(3) 0.0118(5) Uani 1 1 d . . . . .
C19 C 0.2025(2) 0.62990(13) 0.8194(3) 0.0150(6) Uani 1 1 d . . . . .
H19 H 0.244270 0.603670 0.879548 0.018 Uiso 1 1 calc R U . . .
C20 C 0.1726(3) 0.68653(14) 0.8690(3) 0.0180(6) Uani 1 1 d . . . . .
H20 H 0.193998 0.698743 0.962410 0.022 Uiso 1 1 calc R U . . .
C21 C 0.1113(2) 0.72535(14) 0.7824(3) 0.0176(6) Uani 1 1 d . . . . .
H21 H 0.091809 0.764318 0.815861 0.021 Uiso 1 1 calc R U . . .
C22 C 0.0788(3) 0.70706(14) 0.6471(3) 0.0181(6) Uani 1 1 d . . . . .
H22 H 0.036061 0.733221 0.588121 0.022 Uiso 1 1 calc R U . . .
C23 C 0.1087(2) 0.65044(13) 0.5975(3) 0.0146(6) Uani 1 1 d . . . . .
H23 H 0.085946 0.638236 0.504545 0.018 Uiso 1 1 calc R U . . .
C24 C 0.0572(2) 0.58485(13) 0.2374(3) 0.0131(6) Uani 1 1 d . . . . .
C25 C 0.1403(2) 0.38006(13) 0.6836(3) 0.0153(6) Uani 1 1 d . . . . .
C26 C 0.2943(2) 0.40505(15) 0.8357(3) 0.0195(6) Uani 1 1 d . . . . .
C27 C 0.1501(2) 0.48324(13) 0.8585(3) 0.0132(6) Uani 1 1 d . . . . .
O5 O 0.4753(4) 0.6576(3) 0.6507(5) 0.1087(19) Uani 1 1 d . . . . .
C1A C 0.5257(6) 0.6790(6) 0.7797(7) 0.132(4) Uani 1 1 d . . . . .
H1AA H 0.596806 0.662101 0.794973 0.158 Uiso 1 1 calc R U . . .
H1AB H 0.485420 0.668445 0.861081 0.158 Uiso 1 1 calc R U . . .
C1B C 0.5281(6) 0.7484(6) 0.7559(11) 0.157(5) Uani 1 1 d . . . . .
H1BA H 0.533867 0.770538 0.846854 0.188 Uiso 1 1 calc R U . . .
H1BB H 0.587253 0.760001 0.700730 0.188 Uiso 1 1 calc R U . . .
C1C C 0.4251(7) 0.7623(5) 0.6746(10) 0.137(3) Uani 1 1 d . . . . .
H1CA H 0.370108 0.771635 0.738798 0.165 Uiso 1 1 calc R U . . .
H1CB H 0.431667 0.796824 0.608635 0.165 Uiso 1 1 calc R U . . .
C1D C 0.4034(6) 0.7032(4) 0.5968(8) 0.100(2) Uani 1 1 d . . . . .
H1DA H 0.331292 0.689754 0.609283 0.120 Uiso 1 1 calc R U . . .
H1DB H 0.410737 0.709264 0.494855 0.120 Uiso 1 1 calc R U . . .
C14 C 0.6452(4) 0.4227(3) 0.6975(7) 0.0258(11) Uani 0.600(4) 1 d . . P A 1
H14 H 0.691062 0.395677 0.654356 0.031 Uiso 0.600(4) 1 calc R U P A 1
C13 C 0.5466(4) 0.4346(2) 0.6336(6) 0.0203(10) Uani 0.600(4) 1 d . . P A 1
H13 H 0.526746 0.417328 0.544077 0.024 Uiso 0.600(4) 1 calc R U P A 1
C17 C 0.5089(4) 0.4918(2) 0.8347(6) 0.0292(12) Uani 0.600(4) 1 d . . P A 1
H17 H 0.461276 0.515332 0.884024 0.035 Uiso 0.600(4) 1 calc R U P A 1
C16 C 0.6041(4) 0.4801(3) 0.8998(6) 0.0328(13) Uani 0.600(4) 1 d . . P A 1
H16 H 0.620407 0.492028 0.994851 0.039 Uiso 0.600(4) 1 calc R U P A 1


_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 Rh1 2.8806(4) 3_566 ?
Rh1 Cr1 2.8131(5) 3_566 ?
Rh1 P1 2.3875(8) 3_566 ?
Rh1 P1 2.1799(7) . ?
Rh1 C24 1.888(3) . ?
Rh1 C25 2.568(3) 3_566 ?
Cr1 P1 2.4863(8) . ?
Cr1 C1 2.315(3) . ?
Cr1 C2 2.270(3) . ?
Cr1 C3 2.234(3) . ?
Cr1 C4 2.271(3) . ?
Cr1 C5 2.341(3) . ?
Cr1 C25 1.873(3) . ?
Cr1 C26 1.851(3) . ?
Cr1 C27 1.873(3) . ?
P1 C1 1.786(3) . ?
P1 C5 1.788(3) . ?
O1 C24 1.138(4) . ?
O2 C25 1.156(4) . ?
O3 C27 1.152(4) . ?
O4 C26 1.154(4) . ?
C1 C2 1.404(4) . ?
C1 C6 1.494(4) . ?
C2 H2 1.0000 . ?
C2 C3 1.417(4) . ?
C3 C4 1.414(4) . ?
C3 C12 1.503(3) . ?
C4 H4 1.0000 . ?
C4 C5 1.399(4) . ?
C5 C18 1.498(4) . ?
C6 C7 1.398(4) . ?
C6 C11 1.401(4) . ?
C7 H7 0.9500 . ?
C7 C8 1.391(4) . ?
C8 H8 0.9500 . ?
C8 C9 1.382(4) . ?
C9 H9 0.9500 . ?
C9 C10 1.391(4) . ?
C10 H10 0.9500 . ?
C10 C11 1.382(4) . ?
C11 H11 0.9500 . ?
C12 C13A 1.3900 . ?
C12 C17A 1.3900 . ?
C12 C13 1.391(6) . ?
C12 C17 1.389(6) . ?
C13A H13A 0.9500 . ?
C13A C14A 1.3900 . ?
C14A H14A 0.9500 . ?
C14A C15 1.3900 . ?
C15 H15A 0.9500 . ?
C15 H15 0.9500 . ?
C15 C16A 1.3900 . ?
C15 C14 1.387(7) . ?
C15 C16 1.369(7) . ?
C16A H16A 0.9500 . ?
C16A C17A 1.3900 . ?
C17A H17A 0.9500 . ?
C18 C19 1.399(4) . ?
C18 C23 1.403(4) . ?
C19 H19 0.9500 . ?
C19 C20 1.390(4) . ?
C20 H20 0.9500 . ?
C20 C21 1.390(4) . ?
C21 H21 0.9500 . ?
C21 C22 1.384(4) . ?
C22 H22 0.9500 . ?
C22 C23 1.390(4) . ?
C23 H23 0.9500 . ?
O5 C1A 1.427(8) . ?
O5 C1D 1.432(10) . ?
C1A H1AA 0.9900 . ?
C1A H1AB 0.9900 . ?
C1A C1B 1.533(15) . ?
C1B H1BA 0.9900 . ?
C1B H1BB 0.9900 . ?
C1B C1C 1.519(13) . ?
C1C H1CA 0.9900 . ?
C1C H1CB 0.9900 . ?
C1C C1D 1.505(11) . ?
C1D H1DA 0.9900 . ?
C1D H1DB 0.9900 . ?
C14 H14 0.9500 . ?
C14 C13 1.393(7) . ?
C13 H13 0.9500 . ?
C17 H17 0.9500 . ?
C17 C16 1.359(8) . ?
C16 H16 0.9500 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Cr1 Rh1 Rh1 104.166(14) 3_566 3_566 ?
P1 Rh1 Rh1 47.762(17) 3_566 3_566 ?
P1 Rh1 Rh1 54.18(2) . 3_566 ?
P1 Rh1 Cr1 158.34(2) . 3_566 ?
P1 Rh1 Cr1 56.407(19) 3_566 3_566 ?
P1 Rh1 P1 101.94(2) . 3_566 ?
P1 Rh1 C25 84.17(7) 3_566 3_566 ?
P1 Rh1 C25 147.34(7) . 3_566 ?
C24 Rh1 Rh1 153.21(8) . 3_566 ?
C24 Rh1 Cr1 102.46(8) . 3_566 ?
C24 Rh1 P1 158.76(8) . 3_566 ?
C24 Rh1 P1 99.13(8) . . ?
C24 Rh1 C25 76.62(11) . 3_566 ?
C25 Rh1 Rh1 123.57(7) 3_566 3_566 ?
C25 Rh1 Cr1 40.42(7) 3_566 3_566 ?
P1 Cr1 Rh1 53.120(19) . 3_566 ?
C1 Cr1 Rh1 81.22(7) . 3_566 ?
C1 Cr1 P1 43.49(7) . . ?
C1 Cr1 C5 72.51(10) . . ?
C2 Cr1 Rh1 116.85(7) . 3_566 ?
C2 Cr1 P1 72.62(7) . . ?
C2 Cr1 C1 35.64(9) . . ?
C2 Cr1 C4 65.53(11) . . ?
C2 Cr1 C5 80.07(10) . . ?
C3 Cr1 Rh1 139.40(8) . 3_566 ?
C3 Cr1 P1 86.28(8) . . ?
C3 Cr1 C1 66.73(10) . . ?
C3 Cr1 C2 36.66(10) . . ?
C3 Cr1 C4 36.59(11) . . ?
C3 Cr1 C5 66.56(10) . . ?
C4 Cr1 Rh1 116.11(7) . 3_566 ?
C4 Cr1 P1 72.14(7) . . ?
C4 Cr1 C1 79.83(10) . . ?
C4 Cr1 C5 35.28(9) . . ?
C5 Cr1 Rh1 80.84(7) . 3_566 ?
C5 Cr1 P1 43.34(7) . . ?
C25 Cr1 Rh1 62.73(9) . 3_566 ?
C25 Cr1 P1 98.38(9) . . ?
C25 Cr1 C1 85.62(12) . . ?
C25 Cr1 C2 101.33(12) . . ?
C25 Cr1 C3 134.09(13) . . ?
C25 Cr1 C4 165.35(12) . . ?
C25 Cr1 C5 140.07(11) . . ?
C26 Cr1 Rh1 134.04(11) . 3_566 ?
C26 Cr1 P1 169.41(11) . . ?
C26 Cr1 C1 126.22(12) . . ?
C26 Cr1 C2 96.94(13) . . ?
C26 Cr1 C3 86.19(13) . . ?
C26 Cr1 C4 105.59(13) . . ?
C26 Cr1 C5 138.19(12) . . ?
C26 Cr1 C25 81.63(14) . . ?
C26 Cr1 C27 86.26(13) . . ?
C27 Cr1 Rh1 71.28(8) . 3_566 ?
C27 Cr1 P1 104.22(9) . . ?
C27 Cr1 C1 147.28(11) . . ?
C27 Cr1 C2 161.85(12) . . ?
C27 Cr1 C3 126.44(12) . . ?
C27 Cr1 C4 96.38(12) . . ?
C27 Cr1 C5 85.64(11) . . ?
C27 Cr1 C25 96.81(13) . . ?
Rh1 P1 Rh1 78.06(2) . 3_566 ?
Rh1 P1 Cr1 148.52(4) . . ?
Rh1 P1 Cr1 70.47(2) 3_566 . ?
C1 P1 Rh1 127.88(9) . . ?
C1 P1 Rh1 106.31(10) . 3_566 ?
C1 P1 Cr1 63.15(9) . . ?
C1 P1 C5 100.83(13) . . ?
C5 P1 Rh1 106.34(10) . 3_566 ?
C5 P1 Rh1 128.41(10) . . ?
C5 P1 Cr1 64.01(9) . . ?
P1 C1 Cr1 73.37(10) . . ?
C2 C1 Cr1 70.42(17) . . ?
C2 C1 P1 124.0(2) . . ?
C2 C1 C6 117.0(2) . . ?
C6 C1 Cr1 130.0(2) . . ?
C6 C1 P1 118.95(19) . . ?
Cr1 C2 H2 116.4 . . ?
C1 C2 Cr1 73.94(17) . . ?
C1 C2 H2 116.4 . . ?
C1 C2 C3 125.1(3) . . ?
C3 C2 Cr1 70.28(17) . . ?
C3 C2 H2 116.4 . . ?
C2 C3 Cr1 73.06(17) . . ?
C2 C3 C12 120.0(3) . . ?
C4 C3 Cr1 73.12(17) . . ?
C4 C3 C2 120.4(2) . . ?
C4 C3 C12 119.5(2) . . ?
C12 C3 Cr1 128.5(2) . . ?
Cr1 C4 H4 115.7 . . ?
C3 C4 Cr1 70.29(17) . . ?
C3 C4 H4 115.7 . . ?
C5 C4 Cr1 75.12(16) . . ?
C5 C4 C3 126.5(3) . . ?
C5 C4 H4 115.7 . . ?
P1 C5 Cr1 72.65(9) . . ?
C4 C5 Cr1 69.60(16) . . ?
C4 C5 P1 123.0(2) . . ?
C4 C5 C18 117.2(2) . . ?
C18 C5 Cr1 131.7(2) . . ?
C18 C5 P1 119.8(2) . . ?
C7 C6 C1 120.6(3) . . ?
C7 C6 C11 118.3(3) . . ?
C11 C6 C1 120.9(2) . . ?
C6 C7 H7 119.9 . . ?
C8 C7 C6 120.3(3) . . ?
C8 C7 H7 119.9 . . ?
C7 C8 H8 119.6 . . ?
C9 C8 C7 120.8(3) . . ?
C9 C8 H8 119.6 . . ?
C8 C9 H9 120.3 . . ?
C8 C9 C10 119.4(3) . . ?
C10 C9 H9 120.3 . . ?
C9 C10 H10 119.9 . . ?
C11 C10 C9 120.2(3) . . ?
C11 C10 H10 119.9 . . ?
C6 C11 H11 119.5 . . ?
C10 C11 C6 121.0(3) . . ?
C10 C11 H11 119.5 . . ?
C13A C12 C3 120.8(2) . . ?
C13A C12 C17A 120.0 . . ?
C17A C12 C3 119.2(2) . . ?
C13 C12 C3 120.9(3) . . ?
C17 C12 C3 122.2(3) . . ?
C17 C12 C13 116.7(4) . . ?
C12 C13A H13A 120.0 . . ?
C14A C13A C12 120.0 . . ?
C14A C13A H13A 120.0 . . ?
C13A C14A H14A 120.0 . . ?
C13A C14A C15 120.0 . . ?
C15 C14A H14A 120.0 . . ?
C14A C15 H15A 120.0 . . ?
C16A C15 C14A 120.0 . . ?
C16A C15 H15A 120.0 . . ?
C14 C15 H15 119.9 . . ?
C16 C15 H15 119.9 . . ?
C16 C15 C14 120.2(4) . . ?
C15 C16A H16A 120.0 . . ?
C15 C16A C17A 120.0 . . ?
C17A C16A H16A 120.0 . . ?
C12 C17A H17A 120.0 . . ?
C16A C17A C12 120.0 . . ?
C16A C17A H17A 120.0 . . ?
C19 C18 C5 120.6(3) . . ?
C19 C18 C23 117.9(3) . . ?
C23 C18 C5 121.1(3) . . ?
C18 C19 H19 119.5 . . ?
C20 C19 C18 120.9(3) . . ?
C20 C19 H19 119.5 . . ?
C19 C20 H20 119.9 . . ?
C19 C20 C21 120.2(3) . . ?
C21 C20 H20 119.9 . . ?
C20 C21 H21 120.1 . . ?
C22 C21 C20 119.8(3) . . ?
C22 C21 H21 120.1 . . ?
C21 C22 H22 120.0 . . ?
C21 C22 C23 120.0(3) . . ?
C23 C22 H22 120.0 . . ?
C18 C23 H23 119.4 . . ?
C22 C23 C18 121.1(3) . . ?
C22 C23 H23 119.4 . . ?
O1 C24 Rh1 174.8(3) . . ?
Cr1 C25 Rh1 76.84(10) . 3_566 ?
O2 C25 Rh1 113.2(2) . 3_566 ?
O2 C25 Cr1 169.8(3) . . ?
O4 C26 Cr1 176.9(3) . . ?
O3 C27 Cr1 175.9(3) . . ?
C1A O5 C1D 108.9(7) . . ?
O5 C1A H1AA 111.3 . . ?
O5 C1A H1AB 111.3 . . ?
O5 C1A C1B 102.1(7) . . ?
H1AA C1A H1AB 109.2 . . ?
C1B C1A H1AA 111.3 . . ?
C1B C1A H1AB 111.3 . . ?
C1A C1B H1BA 110.9 . . ?
C1A C1B H1BB 110.9 . . ?
H1BA C1B H1BB 108.9 . . ?
C1C C1B C1A 104.3(7) . . ?
C1C C1B H1BA 110.9 . . ?
C1C C1B H1BB 110.9 . . ?
C1B C1C H1CA 111.4 . . ?
C1B C1C H1CB 111.4 . . ?
H1CA C1C H1CB 109.3 . . ?
C1D C1C C1B 101.8(9) . . ?
C1D C1C H1CA 111.4 . . ?
C1D C1C H1CB 111.4 . . ?
O5 C1D C1C 109.1(7) . . ?
O5 C1D H1DA 109.9 . . ?
O5 C1D H1DB 109.9 . . ?
C1C C1D H1DA 109.9 . . ?
C1C C1D H1DB 109.9 . . ?
H1DA C1D H1DB 108.3 . . ?
C15 C14 H14 120.3 . . ?
C15 C14 C13 119.5(5) . . ?
C13 C14 H14 120.3 . . ?
C12 C13 C14 120.4(5) . . ?
C12 C13 H13 119.8 . . ?
C14 C13 H13 119.8 . . ?
C12 C17 H17 118.1 . . ?
C16 C17 C12 123.8(5) . . ?
C16 C17 H17 118.1 . . ?
C15 C16 H16 121.0 . . ?
C17 C16 C15 118.1(5) . . ?
C17 C16 H16 121.0 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Rh1 Cr1 C25 O2 173.4(16) 3_566 . . . ?
Rh1 P1 C1 Cr1 -144.81(7) . . . . ?
Rh1 P1 C1 Cr1 -57.42(6) 3_566 . . . ?
Rh1 P1 C1 C2 -108.9(3) 3_566 . . . ?
Rh1 P1 C1 C2 163.8(2) . . . . ?
Rh1 P1 C1 C6 -17.9(3) . . . . ?
Rh1 P1 C1 C6 69.5(2) 3_566 . . . ?
Rh1 P1 C5 Cr1 145.51(7) . . . . ?
Rh1 P1 C5 Cr1 57.96(7) 3_566 . . . ?
Rh1 P1 C5 C4 -164.1(2) . . . . ?
Rh1 P1 C5 C4 108.3(2) 3_566 . . . ?
Rh1 P1 C5 C18 16.9(3) . . . . ?
Rh1 P1 C5 C18 -70.6(2) 3_566 . . . ?
Cr1 P1 C1 C2 -51.4(2) . . . . ?
Cr1 P1 C1 C6 126.9(2) . . . . ?
Cr1 P1 C5 C4 50.4(2) . . . . ?
Cr1 P1 C5 C18 -128.6(2) . . . . ?
Cr1 C1 C2 C3 -50.9(3) . . . . ?
Cr1 C1 C6 C7 133.2(3) . . . . ?
Cr1 C1 C6 C11 -51.3(4) . . . . ?
Cr1 C2 C3 C4 -57.9(3) . . . . ?
Cr1 C2 C3 C12 125.1(3) . . . . ?
Cr1 C3 C4 C5 -52.9(3) . . . . ?
Cr1 C3 C12 C13A 68.7(4) . . . . ?
Cr1 C3 C12 C17A -111.2(3) . . . . ?
Cr1 C3 C12 C13 112.0(3) . . . . ?
Cr1 C3 C12 C17 -62.5(4) . . . . ?
Cr1 C4 C5 P1 -51.7(2) . . . . ?
Cr1 C4 C5 C18 127.3(2) . . . . ?
Cr1 C5 C18 C19 55.3(4) . . . . ?
Cr1 C5 C18 C23 -131.2(3) . . . . ?
P1 Cr1 C25 Rh1 -40.68(6) . . . 3_566 ?
P1 Cr1 C25 O2 132.8(16) . . . . ?
P1 C1 C2 Cr1 52.7(2) . . . . ?
P1 C1 C2 C3 1.8(5) . . . . ?
P1 C1 C6 C7 41.1(4) . . . . ?
P1 C1 C6 C11 -143.4(3) . . . . ?
P1 C5 C18 C19 148.2(2) . . . . ?
P1 C5 C18 C23 -38.3(4) . . . . ?
C1 Cr1 C25 Rh1 -82.37(8) . . . 3_566 ?
C1 Cr1 C25 O2 91.1(16) . . . . ?
C1 P1 C5 Cr1 -52.78(11) . . . . ?
C1 P1 C5 C4 -2.4(3) . . . . ?
C1 P1 C5 C18 178.6(2) . . . . ?
C1 C2 C3 Cr1 52.4(3) . . . . ?
C1 C2 C3 C4 -5.6(5) . . . . ?
C1 C2 C3 C12 177.4(3) . . . . ?
C1 C6 C7 C8 174.0(3) . . . . ?
C1 C6 C11 C10 -174.5(3) . . . . ?
C2 Cr1 C25 Rh1 -114.52(9) . . . 3_566 ?
C2 Cr1 C25 O2 58.9(16) . . . . ?
C2 C1 C6 C7 -140.4(3) . . . . ?
C2 C1 C6 C11 35.1(4) . . . . ?
C2 C3 C4 Cr1 57.9(3) . . . . ?
C2 C3 C4 C5 5.1(5) . . . . ?
C2 C3 C12 C13A -23.0(4) . . . . ?
C2 C3 C12 C17A 157.2(3) . . . . ?
C2 C3 C12 C13 20.3(5) . . . . ?
C2 C3 C12 C17 -154.1(3) . . . . ?
C3 Cr1 C25 Rh1 -133.62(12) . . . 3_566 ?
C3 Cr1 C25 O2 39.8(16) . . . . ?
C3 C4 C5 Cr1 50.9(3) . . . . ?
C3 C4 C5 P1 -0.7(4) . . . . ?
C3 C4 C5 C18 178.3(3) . . . . ?
C3 C12 C13A C14A -179.9(3) . . . . ?
C3 C12 C17A C16A 179.9(3) . . . . ?
C3 C12 C13 C14 -178.8(4) . . . . ?
C3 C12 C17 C16 177.9(3) . . . . ?
C4 Cr1 C25 Rh1 -89.2(5) . . . 3_566 ?
C4 Cr1 C25 O2 84.2(16) . . . . ?
C4 C3 C12 C13A 160.0(3) . . . . ?
C4 C3 C12 C17A -19.8(4) . . . . ?
C4 C3 C12 C13 -156.7(3) . . . . ?
C4 C3 C12 C17 28.8(4) . . . . ?
C4 C5 C18 C19 -30.9(4) . . . . ?
C4 C5 C18 C23 142.7(3) . . . . ?
C5 Cr1 C25 Rh1 -26.5(2) . . . 3_566 ?
C5 Cr1 C25 O2 147.0(15) . . . . ?
C5 P1 C1 Cr1 53.35(11) . . . . ?
C5 P1 C1 C2 1.9(3) . . . . ?
C5 P1 C1 C6 -179.7(2) . . . . ?
C5 C18 C19 C20 172.5(3) . . . . ?
C5 C18 C23 C22 -172.5(3) . . . . ?
C6 C1 C2 Cr1 -125.7(2) . . . . ?
C6 C1 C2 C3 -176.6(3) . . . . ?
C6 C7 C8 C9 0.8(5) . . . . ?
C7 C6 C11 C10 1.1(5) . . . . ?
C7 C8 C9 C10 0.6(5) . . . . ?
C8 C9 C10 C11 -1.2(5) . . . . ?
C9 C10 C11 C6 0.3(5) . . . . ?
C11 C6 C7 C8 -1.6(5) . . . . ?
C12 C3 C4 Cr1 -125.1(3) . . . . ?
C12 C3 C4 C5 -177.9(3) . . . . ?
C12 C13A C14A C15 0.0 . . . . ?
C12 C17 C16 C15 5.3(2) . . . . ?
C13A C12 C17A C16A 0.0 . . . . ?
C13A C14A C15 C16A 0.0 . . . . ?
C14A C15 C16A C17A 0.0 . . . . ?
C15 C16A C17A C12 0.0 . . . . ?
C15 C14 C13 C12 -3.5(6) . . . . ?
C17A C12 C13A C14A 0.0 . . . . ?
C18 C19 C20 C21 0.1(5) . . . . ?
C19 C18 C23 C22 1.2(4) . . . . ?
C19 C20 C21 C22 1.0(5) . . . . ?
C20 C21 C22 C23 -1.0(5) . . . . ?
C21 C22 C23 C18 -0.1(5) . . . . ?
C23 C18 C19 C20 -1.2(4) . . . . ?
C26 Cr1 C25 Rh1 150.02(12) . . . 3_566 ?
C26 Cr1 C25 O2 -36.5(16) . . . . ?
C27 Cr1 C25 Rh1 64.84(10) . . . 3_566 ?
C27 Cr1 C25 O2 -121.7(16) . . . . ?
O5 C1A C1B C1C 37.4(8) . . . . ?
C1A O5 C1D C1C 13.6(8) . . . . ?
C1A C1B C1C C1D -28.8(9) . . . . ?
C1B C1C C1D O5 10.5(9) . . . . ?
C1D O5 C1A C1B -31.3(7) . . . . ?
C14 C15 C16 C17 -13.1(5) . . . . ?
C13 C12 C17 C16 3.2(2) . . . . ?
C17 C12 C13 C14 -4.1(5) . . . . ?
C16 C15 C14 C13 12.4(6) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_chemical_properties_physical    Air-sensitive,Moisture-sensitive
####################################################################### 
# 
# 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_ap019
_database_code_depnum_ccdc_archive 'CCDC 2113812'
loop_
_audit_author_name
_audit_author_address
'Nathan Coles'
;FU Berlin
Germany
;
_audit_update_record             
;
2021-10-04 deposited with the CCDC.	2022-04-13 downloaded from the CCDC.
;
_audit_creation_date             2021-10-04
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6403)
;
_shelx_SHELXL_version_number     2018/3
loop_
_audit_author_email
N.T.Coles@fu-berlin.de
weber@chemie.fu-berlin.de
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C60 H46 Cr2 O8 P2 Rh2'
_chemical_formula_sum            'C60 H46 Cr2 O8 P2 Rh2'
_chemical_formula_weight         1266.73
_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 0.0033 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'
Cr Cr 0.3209 0.6236 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   14.0219(5)
_cell_length_b                   9.5027(3)
_cell_length_c                   23.0919(9)
_cell_angle_alpha                90
_cell_angle_beta                 100.404(2)
_cell_angle_gamma                90
_cell_volume                     3026.31(19)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9927
_cell_measurement_temperature    100.01
_cell_measurement_theta_max      30.46
_cell_measurement_theta_min      2.60
_shelx_estimated_absorpt_T_max   0.916
_shelx_estimated_absorpt_T_min   0.730
_exptl_absorpt_coefficient_mu    0.987
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_correction_T_min  0.6543
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1118 before and 0.0441 after correction.
The Ratio of minimum to maximum transmission is 0.8770.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.390
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       Rod
_exptl_crystal_F_000             1276
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.09
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0325
_diffrn_reflns_av_unetI/netI     0.0361
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.882
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            28648
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.882
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.536
_diffrn_reflns_theta_min         2.323
_diffrn_ambient_temperature      100.01
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.882
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6794
_reflns_number_total             8170
_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       'SAINT V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.037
_refine_diff_density_min         -0.768
_refine_diff_density_rms         0.094
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     338
_refine_ls_number_reflns         8170
_refine_ls_number_restraints     72
_refine_ls_R_factor_all          0.0435
_refine_ls_R_factor_gt           0.0318
_refine_ls_restrained_S_all      1.022
_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)+(0.0289P)²+3.4939P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0668
_refine_ls_wR_factor_ref         0.0705
_refine_special_details          
;The para-tolyl group exhibits rotational disorder. Ring constraints 
and thermal constraints were required to give a suitable model. The 
disorder was allowed to refine freely to a 84:16 ratio. SQUEEZE was 
used to remove electron density relating to 0.75 equivalents of 
diethyl ether per asymmetric unit.,SQUEEZE
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(C18) = Uanis(C18A)
Uanis(C17) = Uanis(C17A)
Uanis(C14) = Uanis(C14A)
Uanis(C15) = Uanis(C15A)
3. Rigid body (RIGU) restrains
 C13, C18, C17, C16, C15, C14
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C13, C14A, C15A, C16, C17A, C18A
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
4. Others
 Sof(C18A)=Sof(H18A)=Sof(C17A)=Sof(H17A)=Sof(C15A)=Sof(H15A)=Sof(C14A)=
 Sof(H14A)=1-FVAR(1)
 Sof(C18)=Sof(H18)=Sof(C17)=Sof(H17)=Sof(C15)=Sof(H15)=Sof(C14)=Sof(H14)=FVAR(1)
5.a Ternary CH refined with riding coordinates:
 C2(H2), C4(H4)
5.b Aromatic/amide H refined with riding coordinates:
 C7(H7), C8(H8), C10(H10), C11(H11), C18A(H18A), C17A(H17A), C15A(H15A),
 C14A(H14A), C18(H18), C17(H17), C15(H15), C14(H14), C21(H21), C22(H22),
 C24(H24), C25(H25)
5.c Fitted hexagon refined as free rotating group:
 C13(C18A,C17A,C16,C15A,C14A)
5.d Idealised Me refined as rotating group:
 C12(H12A,H12B,H12C), C19(H19A,H19B,H19C), C26(H26A,H26B,H26C)
;
_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
Rh1 Rh 1.01721(2) 0.62518(2) 0.53582(2) 0.00944(5) Uani 1 1 d . . . . .
Cr1 Cr 0.78763(2) 0.31163(3) 0.46344(2) 0.00973(7) Uani 1 1 d . . . . .
P1 P 0.88057(4) 0.51128(5) 0.51502(2) 0.00956(10) Uani 1 1 d . . . . .
O1 O 0.95647(13) 0.84239(17) 0.61804(7) 0.0238(4) Uani 1 1 d . . . . .
O2 O 0.91000(11) 0.06046(16) 0.50984(6) 0.0166(3) Uani 1 1 d . . . . .
O3 O 0.65440(12) 0.08834(17) 0.40260(7) 0.0225(3) Uani 1 1 d . . . . .
O4 O 0.82727(12) 0.34279(16) 0.33964(6) 0.0186(3) Uani 1 1 d . . . . .
C1 C 0.82898(15) 0.3928(2) 0.56102(9) 0.0123(4) Uani 1 1 d . . . . .
C2 C 0.73251(15) 0.3473(2) 0.54859(9) 0.0122(4) Uani 1 1 d . . . . .
H2 H 0.716958 0.260933 0.569803 0.015 Uiso 1 1 calc R U . . .
C3 C 0.66140(15) 0.3908(2) 0.50012(9) 0.0139(4) Uani 1 1 d . . . . .
C4 C 0.68417(15) 0.4963(2) 0.46157(9) 0.0144(4) Uani 1 1 d . . . . .
H4 H 0.636257 0.507967 0.424173 0.017 Uiso 1 1 calc R U . . .
C5 C 0.77562(14) 0.5569(2) 0.46188(8) 0.0115(4) Uani 1 1 d . . . . .
C6 C 0.89315(15) 0.3337(2) 0.61453(8) 0.0127(4) Uani 1 1 d . . . . .
C7 C 0.96200(17) 0.4185(2) 0.64944(9) 0.0191(5) Uani 1 1 d . . . . .
H7 H 0.973220 0.511099 0.636667 0.023 Uiso 1 1 calc R U . . .
C8 C 1.01424(18) 0.3700(3) 0.70242(10) 0.0223(5) Uani 1 1 d . . . . .
H8 H 1.061157 0.429545 0.725064 0.027 Uiso 1 1 calc R U . . .
C9 C 0.99930(16) 0.2361(2) 0.72298(9) 0.0179(4) Uani 1 1 d . . . . .
C10 C 0.93312(17) 0.1501(2) 0.68759(9) 0.0176(4) Uani 1 1 d . . . . .
H10 H 0.923562 0.056665 0.700041 0.021 Uiso 1 1 calc R U . . .
C11 C 0.88038(16) 0.1973(2) 0.63426(9) 0.0147(4) Uani 1 1 d . . . . .
H11 H 0.835232 0.136229 0.611064 0.018 Uiso 1 1 calc R U . . .
C12 C 1.05272(19) 0.1886(3) 0.78240(10) 0.0269(5) Uani 1 1 d . . . . .
H12A H 1.030664 0.243682 0.813352 0.040 Uiso 1 1 calc R U . . .
H12B H 1.122519 0.202643 0.784591 0.040 Uiso 1 1 calc R U . . .
H12C H 1.039679 0.088602 0.787861 0.040 Uiso 1 1 calc R U . . .
C13 C 0.56091(12) 0.3261(2) 0.49031(10) 0.0169(4) Uani 1 1 d G . . . .
C18A C 0.4820(2) 0.3906(4) 0.4552(3) 0.0206(6) Uani 0.164(3) 1 d G . P A 2
H18A H 0.489477 0.480028 0.438193 0.025 Uiso 0.164(3) 1 calc R U P A 2
C17A C 0.39217(19) 0.3243(5) 0.4451(3) 0.0227(6) Uani 0.164(3) 1 d G . P A 2
H17A H 0.338239 0.368413 0.421131 0.027 Uiso 0.164(3) 1 calc R U P A 2
C16 C 0.38123(12) 0.1935(2) 0.47004(11) 0.0234(5) Uani 1 1 d G . . A .
C15A C 0.4601(2) 0.1290(4) 0.5051(3) 0.0253(6) Uani 0.164(3) 1 d G . P A 2
H15A H 0.452656 0.039618 0.522158 0.030 Uiso 0.164(3) 1 calc R U P A 2
C14A C 0.5500(2) 0.1953(5) 0.5152(3) 0.0214(6) Uani 0.164(3) 1 d G . P A 2
H14A H 0.603896 0.151230 0.539221 0.026 Uiso 0.164(3) 1 calc R U P A 2
C18 C 0.5001(2) 0.3382(3) 0.43797(11) 0.0206(6) Uani 0.836(3) 1 d . . P A 1
H18 H 0.518759 0.393551 0.407624 0.025 Uiso 0.836(3) 1 calc R U P A 1
C17 C 0.4108(2) 0.2709(3) 0.42796(12) 0.0227(6) Uani 0.836(3) 1 d . . P A 1
H17 H 0.369783 0.279798 0.390611 0.027 Uiso 0.836(3) 1 calc R U P A 1
C15 C 0.4383(2) 0.1928(3) 0.52762(13) 0.0253(6) Uani 0.836(3) 1 d . . P A 1
H15 H 0.415460 0.146226 0.558881 0.030 Uiso 0.836(3) 1 calc R U P A 1
C14 C 0.5277(2) 0.2607(3) 0.53788(12) 0.0214(6) Uani 0.836(3) 1 d . . P A 1
H14 H 0.565903 0.262903 0.576305 0.026 Uiso 0.836(3) 1 calc R U P A 1
C19 C 0.28365(19) 0.1168(3) 0.45866(13) 0.0356(6) Uani 1 1 d . . . . .
H19A H 0.245244 0.145739 0.488109 0.053 Uiso 1 1 calc R U . A .
H19B H 0.294687 0.014983 0.461350 0.053 Uiso 1 1 calc R U . . .
H19C H 0.248541 0.140542 0.419228 0.053 Uiso 1 1 calc R U . . .
C20 C 0.78562(15) 0.6614(2) 0.41499(9) 0.0116(4) Uani 1 1 d . . . . .
C21 C 0.72351(16) 0.6600(2) 0.36029(9) 0.0159(4) Uani 1 1 d . . . . .
H21 H 0.679120 0.584363 0.350753 0.019 Uiso 1 1 calc R U . . .
C22 C 0.72569(16) 0.7671(2) 0.31975(9) 0.0171(4) Uani 1 1 d . . . . .
H22 H 0.682102 0.764148 0.283133 0.020 Uiso 1 1 calc R U . . .
C23 C 0.79054(16) 0.8788(2) 0.33167(9) 0.0147(4) Uani 1 1 d . . . . .
C24 C 0.85591(16) 0.8762(2) 0.38471(9) 0.0152(4) Uani 1 1 d . . . . .
H24 H 0.903335 0.948320 0.392955 0.018 Uiso 1 1 calc R U . . .
C25 C 0.85330(15) 0.7704(2) 0.42583(9) 0.0129(4) Uani 1 1 d . . . . .
H25 H 0.898266 0.772176 0.461916 0.015 Uiso 1 1 calc R U . . .
C26 C 0.78908(18) 1.0007(2) 0.28982(9) 0.0202(5) Uani 1 1 d . . . . .
H26A H 0.748478 1.076170 0.301116 0.030 Uiso 1 1 calc R U . . .
H26B H 0.762553 0.969504 0.249693 0.030 Uiso 1 1 calc R U . . .
H26C H 0.855257 1.035640 0.291429 0.030 Uiso 1 1 calc R U . . .
C27 C 0.97888(15) 0.7641(2) 0.58573(9) 0.0139(4) Uani 1 1 d . . . . .
C28 C 0.86837(15) 0.1588(2) 0.49050(9) 0.0126(4) Uani 1 1 d . . . . .
C29 C 0.70386(15) 0.1746(2) 0.42671(9) 0.0152(4) Uani 1 1 d . . . . .
C30 C 0.81940(15) 0.3313(2) 0.38846(9) 0.0140(4) Uani 1 1 d . . . . .


_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 Rh1 2.8882(3) 3_766 ?
Rh1 Cr1 2.7986(4) 3_766 ?
Rh1 P1 2.3921(5) 3_766 ?
Rh1 P1 2.1774(5) . ?
Rh1 C27 1.893(2) . ?
Cr1 P1 2.4811(6) . ?
Cr1 C1 2.353(2) . ?
Cr1 C2 2.265(2) . ?
Cr1 C3 2.227(2) . ?
Cr1 C4 2.272(2) . ?
Cr1 C5 2.336(2) . ?
Cr1 C28 1.878(2) . ?
Cr1 C29 1.854(2) . ?
Cr1 C30 1.873(2) . ?
P1 C1 1.788(2) . ?
P1 C5 1.791(2) . ?
O1 C27 1.137(3) . ?
O2 C28 1.148(3) . ?
O3 C29 1.150(3) . ?
O4 C30 1.158(3) . ?
C1 C2 1.399(3) . ?
C1 C6 1.500(3) . ?
C2 H2 1.0000 . ?
C2 C3 1.419(3) . ?
C3 C4 1.415(3) . ?
C3 C13 1.516(2) . ?
C4 H4 1.0000 . ?
C4 C5 1.404(3) . ?
C5 C20 1.495(3) . ?
C6 C7 1.397(3) . ?
C6 C11 1.395(3) . ?
C7 H7 0.9500 . ?
C7 C8 1.386(3) . ?
C8 H8 0.9500 . ?
C8 C9 1.387(3) . ?
C9 C10 1.387(3) . ?
C9 C12 1.509(3) . ?
C10 H10 0.9500 . ?
C10 C11 1.391(3) . ?
C11 H11 0.9500 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 C18A 1.3900 . ?
C13 C14A 1.3900 . ?
C13 C18 1.352(3) . ?
C13 C14 1.412(3) . ?
C18A H18A 0.9500 . ?
C18A C17A 1.3900 . ?
C17A H17A 0.9500 . ?
C17A C16 1.3900 . ?
C16 C15A 1.3900 . ?
C16 C17 1.343(4) . ?
C16 C15 1.422(4) . ?
C16 C19 1.531(3) . ?
C15A H15A 0.9500 . ?
C15A C14A 1.3900 . ?
C14A H14A 0.9500 . ?
C18 H18 0.9500 . ?
C18 C17 1.388(4) . ?
C17 H17 0.9500 . ?
C15 H15 0.9500 . ?
C15 C14 1.392(4) . ?
C14 H14 0.9500 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 C21 1.399(3) . ?
C20 C25 1.396(3) . ?
C21 H21 0.9500 . ?
C21 C22 1.387(3) . ?
C22 H22 0.9500 . ?
C22 C23 1.393(3) . ?
C23 C24 1.391(3) . ?
C23 C26 1.506(3) . ?
C24 H24 0.9500 . ?
C24 C25 1.388(3) . ?
C25 H25 0.9500 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 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
Cr1 Rh1 Rh1 104.025(10) 3_766 3_766 ?
P1 Rh1 Rh1 54.181(14) . 3_766 ?
P1 Rh1 Rh1 47.570(13) 3_766 3_766 ?
P1 Rh1 Cr1 158.204(17) . 3_766 ?
P1 Rh1 Cr1 56.456(14) 3_766 3_766 ?
P1 Rh1 P1 101.751(17) . 3_766 ?
C27 Rh1 Rh1 152.46(6) . 3_766 ?
C27 Rh1 Cr1 103.38(6) . 3_766 ?
C27 Rh1 P1 98.38(6) . . ?
C27 Rh1 P1 159.72(6) . 3_766 ?
P1 Cr1 Rh1 53.472(14) . 3_766 ?
C1 Cr1 Rh1 81.51(5) . 3_766 ?
C1 Cr1 P1 43.32(5) . . ?
C2 Cr1 Rh1 116.70(5) . 3_766 ?
C2 Cr1 P1 72.58(5) . . ?
C2 Cr1 C1 35.22(7) . . ?
C2 Cr1 C4 65.41(7) . . ?
C2 Cr1 C5 80.15(7) . . ?
C3 Cr1 Rh1 140.24(6) . 3_766 ?
C3 Cr1 P1 86.77(6) . . ?
C3 Cr1 C1 66.44(7) . . ?
C3 Cr1 C2 36.84(7) . . ?
C3 Cr1 C4 36.64(7) . . ?
C3 Cr1 C5 66.97(7) . . ?
C4 Cr1 Rh1 117.04(5) . 3_766 ?
C4 Cr1 P1 72.35(5) . . ?
C4 Cr1 C1 79.12(7) . . ?
C4 Cr1 C5 35.45(7) . . ?
C5 Cr1 Rh1 81.59(5) . 3_766 ?
C5 Cr1 P1 43.51(5) . . ?
C5 Cr1 C1 72.09(7) . . ?
C28 Cr1 Rh1 68.52(6) . 3_766 ?
C28 Cr1 P1 101.47(6) . . ?
C28 Cr1 C1 84.57(8) . . ?
C28 Cr1 C2 96.13(8) . . ?
C28 Cr1 C3 127.42(8) . . ?
C28 Cr1 C4 161.46(8) . . ?
C28 Cr1 C5 144.50(8) . . ?
C29 Cr1 Rh1 133.76(7) . 3_766 ?
C29 Cr1 P1 172.53(7) . . ?
C29 Cr1 C1 134.00(8) . . ?
C29 Cr1 C2 102.43(8) . . ?
C29 Cr1 C3 85.99(9) . . ?
C29 Cr1 C4 100.62(9) . . ?
C29 Cr1 C5 130.99(8) . . ?
C29 Cr1 C28 84.43(9) . . ?
C29 Cr1 C30 83.33(9) . . ?
C30 Cr1 Rh1 65.72(6) . 3_766 ?
C30 Cr1 P1 100.11(6) . . ?
C30 Cr1 C1 142.54(8) . . ?
C30 Cr1 C2 164.37(8) . . ?
C30 Cr1 C3 130.99(9) . . ?
C30 Cr1 C4 99.39(8) . . ?
C30 Cr1 C5 85.12(8) . . ?
C30 Cr1 C28 98.91(9) . . ?
Rh1 P1 Rh1 78.250(17) . 3_766 ?
Rh1 P1 Cr1 148.32(3) . . ?
Rh1 P1 Cr1 70.071(16) 3_766 . ?
C1 P1 Rh1 107.02(7) . 3_766 ?
C1 P1 Rh1 128.05(7) . . ?
C1 P1 Cr1 64.52(7) . . ?
C1 P1 C5 100.89(9) . . ?
C5 P1 Rh1 127.76(7) . . ?
C5 P1 Rh1 106.61(7) . 3_766 ?
C5 P1 Cr1 63.94(6) . . ?
P1 C1 Cr1 72.16(7) . . ?
C2 C1 Cr1 68.94(11) . . ?
C2 C1 P1 123.53(15) . . ?
C2 C1 C6 117.85(17) . . ?
C6 C1 Cr1 132.33(14) . . ?
C6 C1 P1 118.57(15) . . ?
Cr1 C2 H2 116.2 . . ?
C1 C2 Cr1 75.84(12) . . ?
C1 C2 H2 116.2 . . ?
C1 C2 C3 125.95(18) . . ?
C3 C2 Cr1 70.13(11) . . ?
C3 C2 H2 116.2 . . ?
C2 C3 Cr1 73.03(12) . . ?
C2 C3 C13 120.08(18) . . ?
C4 C3 Cr1 73.43(12) . . ?
C4 C3 C2 119.75(18) . . ?
C4 C3 C13 120.16(19) . . ?
C13 C3 Cr1 125.96(15) . . ?
Cr1 C4 H4 115.4 . . ?
C3 C4 Cr1 69.93(12) . . ?
C3 C4 H4 115.4 . . ?
C5 C4 Cr1 74.77(12) . . ?
C5 C4 C3 126.64(19) . . ?
C5 C4 H4 115.4 . . ?
P1 C5 Cr1 72.55(7) . . ?
C4 C5 Cr1 69.78(12) . . ?
C4 C5 P1 122.74(15) . . ?
C4 C5 C20 118.29(18) . . ?
C20 C5 Cr1 131.17(14) . . ?
C20 C5 P1 118.96(14) . . ?
C7 C6 C1 120.56(19) . . ?
C11 C6 C1 121.55(19) . . ?
C11 C6 C7 117.62(19) . . ?
C6 C7 H7 119.4 . . ?
C8 C7 C6 121.1(2) . . ?
C8 C7 H7 119.4 . . ?
C7 C8 H8 119.4 . . ?
C7 C8 C9 121.3(2) . . ?
C9 C8 H8 119.4 . . ?
C8 C9 C12 120.3(2) . . ?
C10 C9 C8 117.7(2) . . ?
C10 C9 C12 122.0(2) . . ?
C9 C10 H10 119.2 . . ?
C9 C10 C11 121.6(2) . . ?
C11 C10 H10 119.2 . . ?
C6 C11 H11 119.7 . . ?
C10 C11 C6 120.6(2) . . ?
C10 C11 H11 119.7 . . ?
C9 C12 H12A 109.5 . . ?
C9 C12 H12B 109.5 . . ?
C9 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C18A C13 C3 121.91(16) . . ?
C18A C13 C14A 120.0 . . ?
C14A C13 C3 118.02(16) . . ?
C18 C13 C3 121.2(2) . . ?
C18 C13 C14 119.31(19) . . ?
C14 C13 C3 119.3(2) . . ?
C13 C18A H18A 120.0 . . ?
C13 C18A C17A 120.0 . . ?
C17A C18A H18A 120.0 . . ?
C18A C17A H17A 120.0 . . ?
C16 C17A C18A 120.0 . . ?
C16 C17A H17A 120.0 . . ?
C17A C16 C19 121.12(19) . . ?
C15A C16 C17A 120.0 . . ?
C15A C16 C19 118.86(19) . . ?
C17 C16 C15 118.96(19) . . ?
C17 C16 C19 121.3(2) . . ?
C15 C16 C19 119.5(2) . . ?
C16 C15A H15A 120.0 . . ?
C16 C15A C14A 120.0 . . ?
C14A C15A H15A 120.0 . . ?
C13 C14A H14A 120.0 . . ?
C15A C14A C13 120.0 . . ?
C15A C14A H14A 120.0 . . ?
C13 C18 H18 119.5 . . ?
C13 C18 C17 120.9(2) . . ?
C17 C18 H18 119.5 . . ?
C16 C17 C18 121.3(2) . . ?
C16 C17 H17 119.4 . . ?
C18 C17 H17 119.4 . . ?
C16 C15 H15 120.2 . . ?
C14 C15 C16 119.6(2) . . ?
C14 C15 H15 120.2 . . ?
C13 C14 H14 120.5 . . ?
C15 C14 C13 119.0(2) . . ?
C15 C14 H14 120.5 . . ?
C16 C19 H19A 109.5 . . ?
C16 C19 H19B 109.5 . . ?
C16 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C21 C20 C5 121.53(18) . . ?
C25 C20 C5 120.85(18) . . ?
C25 C20 C21 117.48(18) . . ?
C20 C21 H21 119.5 . . ?
C22 C21 C20 121.07(19) . . ?
C22 C21 H21 119.5 . . ?
C21 C22 H22 119.4 . . ?
C21 C22 C23 121.28(19) . . ?
C23 C22 H22 119.4 . . ?
C22 C23 C26 121.78(19) . . ?
C24 C23 C22 117.59(18) . . ?
C24 C23 C26 120.62(19) . . ?
C23 C24 H24 119.3 . . ?
C25 C24 C23 121.39(19) . . ?
C25 C24 H24 119.3 . . ?
C20 C25 H25 119.5 . . ?
C24 C25 C20 121.04(18) . . ?
C24 C25 H25 119.5 . . ?
C23 C26 H26A 109.5 . . ?
C23 C26 H26B 109.5 . . ?
C23 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
O1 C27 Rh1 176.34(18) . . ?
O2 C28 Cr1 172.83(18) . . ?
O3 C29 Cr1 177.4(2) . . ?
O4 C30 Cr1 171.84(18) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Rh1 P1 C1 Cr1 -57.27(5) 3_766 . . . ?
Rh1 P1 C1 Cr1 -145.50(5) . . . . ?
Rh1 P1 C1 C2 -105.50(17) 3_766 . . . ?
Rh1 P1 C1 C2 166.27(14) . . . . ?
Rh1 P1 C1 C6 71.81(16) 3_766 . . . ?
Rh1 P1 C1 C6 -16.42(19) . . . . ?
Rh1 P1 C5 Cr1 57.19(5) 3_766 . . . ?
Rh1 P1 C5 Cr1 145.03(5) . . . . ?
Rh1 P1 C5 C4 -164.24(14) . . . . ?
Rh1 P1 C5 C4 107.92(17) 3_766 . . . ?
Rh1 P1 C5 C20 -70.74(16) 3_766 . . . ?
Rh1 P1 C5 C20 17.10(19) . . . . ?
Cr1 P1 C1 C2 -48.24(16) . . . . ?
Cr1 P1 C1 C6 129.07(17) . . . . ?
Cr1 P1 C5 C4 50.73(16) . . . . ?
Cr1 P1 C5 C20 -127.93(17) . . . . ?
Cr1 C1 C2 C3 -51.97(19) . . . . ?
Cr1 C1 C6 C7 131.84(19) . . . . ?
Cr1 C1 C6 C11 -54.3(3) . . . . ?
Cr1 C2 C3 C4 -58.82(18) . . . . ?
Cr1 C2 C3 C13 122.20(19) . . . . ?
Cr1 C3 C4 C5 -51.7(2) . . . . ?
Cr1 C3 C13 C18A -108.7(4) . . . . ?
Cr1 C3 C13 C14A 68.2(4) . . . . ?
Cr1 C3 C13 C18 -73.3(3) . . . . ?
Cr1 C3 C13 C14 111.2(2) . . . . ?
Cr1 C4 C5 P1 -51.91(14) . . . . ?
Cr1 C4 C5 C20 126.76(17) . . . . ?
Cr1 C5 C20 C21 61.2(3) . . . . ?
Cr1 C5 C20 C25 -123.28(19) . . . . ?
P1 C1 C2 Cr1 49.54(14) . . . . ?
P1 C1 C2 C3 -2.4(3) . . . . ?
P1 C1 C6 C7 40.5(3) . . . . ?
P1 C1 C6 C11 -145.66(17) . . . . ?
P1 C5 C20 C21 152.86(17) . . . . ?
P1 C5 C20 C25 -31.6(3) . . . . ?
C1 P1 C5 Cr1 -54.43(8) . . . . ?
C1 P1 C5 C4 -3.7(2) . . . . ?
C1 P1 C5 C20 177.64(15) . . . . ?
C1 C2 C3 Cr1 54.3(2) . . . . ?
C1 C2 C3 C4 -4.5(3) . . . . ?
C1 C2 C3 C13 176.5(2) . . . . ?
C1 C6 C7 C8 172.8(2) . . . . ?
C1 C6 C11 C10 -172.56(19) . . . . ?
C2 C1 C6 C7 -142.1(2) . . . . ?
C2 C1 C6 C11 31.8(3) . . . . ?
C2 C3 C4 Cr1 58.62(17) . . . . ?
C2 C3 C4 C5 7.0(3) . . . . ?
C2 C3 C13 C18A 161.1(4) . . . . ?
C2 C3 C13 C14A -22.0(5) . . . . ?
C2 C3 C13 C18 -163.5(2) . . . . ?
C2 C3 C13 C14 21.0(3) . . . . ?
C3 C4 C5 Cr1 49.8(2) . . . . ?
C3 C4 C5 P1 -2.1(3) . . . . ?
C3 C4 C5 C20 176.5(2) . . . . ?
C3 C13 C18A C17A 176.85(19) . . . . ?
C3 C13 C14A C15A -176.97(18) . . . . ?
C3 C13 C18 C17 175.6(2) . . . . ?
C3 C13 C14 C15 -175.5(2) . . . . ?
C4 C3 C13 C18A -17.9(5) . . . . ?
C4 C3 C13 C14A 159.0(4) . . . . ?
C4 C3 C13 C18 17.5(3) . . . . ?
C4 C3 C13 C14 -158.0(2) . . . . ?
C4 C5 C20 C21 -25.9(3) . . . . ?
C4 C5 C20 C25 149.6(2) . . . . ?
C5 P1 C1 Cr1 54.04(8) . . . . ?
C5 P1 C1 C2 5.8(2) . . . . ?
C5 P1 C1 C6 -176.89(16) . . . . ?
C5 C20 C21 C22 172.2(2) . . . . ?
C5 C20 C25 C24 -173.09(19) . . . . ?
C6 C1 C2 Cr1 -127.79(17) . . . . ?
C6 C1 C2 C3 -179.76(19) . . . . ?
C6 C7 C8 C9 -0.7(4) . . . . ?
C7 C6 C11 C10 1.5(3) . . . . ?
C7 C8 C9 C10 2.6(4) . . . . ?
C7 C8 C9 C12 -176.4(2) . . . . ?
C8 C9 C10 C11 -2.4(3) . . . . ?
C9 C10 C11 C6 0.4(3) . . . . ?
C11 C6 C7 C8 -1.4(3) . . . . ?
C12 C9 C10 C11 176.5(2) . . . . ?
C13 C3 C4 Cr1 -122.39(19) . . . . ?
C13 C3 C4 C5 -174.1(2) . . . . ?
C13 C18A C17A C16 0.0 . . . . ?
C13 C18 C17 C16 1.0(5) . . . . ?
C18A C13 C14A C15A 0.0 . . . . ?
C18A C17A C16 C15A 0.0 . . . . ?
C18A C17A C16 C19 -178.8(2) . . . . ?
C17A C16 C15A C14A 0.0 . . . . ?
C16 C15A C14A C13 0.0 . . . . ?
C16 C15 C14 C13 -1.5(4) . . . . ?
C14A C13 C18A C17A 0.0 . . . . ?
C18 C13 C14 C15 8.9(4) . . . . ?
C17 C16 C15 C14 -6.2(4) . . . . ?
C15 C16 C17 C18 6.5(4) . . . . ?
C14 C13 C18 C17 -8.8(4) . . . . ?
C19 C16 C15A C14A 178.8(2) . . . . ?
C19 C16 C17 C18 -178.7(3) . . . . ?
C19 C16 C15 C14 179.0(3) . . . . ?
C20 C21 C22 C23 0.9(3) . . . . ?
C21 C20 C25 C24 2.6(3) . . . . ?
C21 C22 C23 C24 2.7(3) . . . . ?
C21 C22 C23 C26 -175.8(2) . . . . ?
C22 C23 C24 C25 -3.5(3) . . . . ?
C23 C24 C25 C20 0.9(3) . . . . ?
C25 C20 C21 C22 -3.5(3) . . . . ?
C26 C23 C24 C25 174.9(2) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.250 -0.636 0.250 369.8 68.5 '1.5 C4H10O'
2 -0.250 -0.719 0.750 369.8 68.5 '1.5 C4H10O'

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: Et2O, DCM'
_chemical_properties_physical    Air-sensitive,Moisture-sensitive
