# Electronic Supplementary Material (ESI) for Organic & Biomolecular Chemistry.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# 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_nfn22
_database_code_depnum_ccdc_archive 'CCDC 1455768'
_audit_update_record             
;
2016-05-12 deposited with the CCDC.
2016-05-26 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
'Rhodium,chloro-(1,2,3,4,5-pentamethylcyclopentadienyl)phenyl(triphenylphosphine) complex'
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C34 H35 Cl P Rh'
_chemical_formula_weight         612.95

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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.4496(3)
_cell_length_b                   15.6045(5)
_cell_length_c                   19.2722(6)
_cell_angle_alpha                104.775(2)
_cell_angle_beta                 100.930(2)
_cell_angle_gamma                98.868(2)
_cell_volume                     2914.84(15)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    9969
_cell_measurement_theta_min      2.43
_cell_measurement_theta_max      27.53

_exptl_crystal_description       PRISM
_exptl_crystal_colour            gold
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.397
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1264
_exptl_absorpt_coefficient_mu    0.754
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5939
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_process_details   'SAINT ver 7.34; Bruker SADABS'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEXII CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            66539
_diffrn_reflns_av_R_equivalents  0.0884
_diffrn_reflns_av_sigmaI/netI    0.0850
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         1.38
_diffrn_reflns_theta_max         27.58
_reflns_number_total             12997
_reflns_number_gt                8351
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker APEXII'
_computing_cell_refinement       'Bruker APEXII'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0387P)²+8.2780P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         12997
_refine_ls_number_parameters     745
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1110
_refine_ls_R_factor_gt           0.0611
_refine_ls_wR_factor_ref         0.1373
_refine_ls_wR_factor_gt          0.1183
_refine_ls_goodness_of_fit_ref   1.000
_refine_ls_restrained_S_all      1.000
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.71665(3) 0.707019(18) 0.201706(15) 0.03084(7) Uani 1 1 d . . .
Cl1 Cl 0.85123(10) 0.83858(6) 0.18785(6) 0.0496(3) Uani 1 1 d . . .
P1 P 0.90710(9) 0.67321(6) 0.25948(5) 0.0319(2) Uani 1 1 d . . .
C1 C 0.4952(3) 0.6735(3) 0.1618(2) 0.0410(11) Uani 1 1 d . . .
C2 C 0.5499(4) 0.7096(3) 0.1115(2) 0.0449(11) Uani 1 1 d . . .
C3 C 0.6264(4) 0.6483(3) 0.0777(2) 0.0432(11) Uani 1 1 d . . .
C4 C 0.6194(4) 0.5762(3) 0.1078(2) 0.0415(11) Uani 1 1 d . . .
C5 C 0.5435(4) 0.5923(2) 0.1635(2) 0.0429(11) Uani 1 1 d . . .
C6 C 0.4000(4) 0.7104(3) 0.2054(3) 0.0595(14) Uani 1 1 d . . .
H6A H 0.4387 0.7234 0.2572 0.12(2) Uiso 1 1 calc R . .
H6B H 0.3177 0.6664 0.1918 0.147 Uiso 1 1 calc R . .
H6C H 0.3830 0.7651 0.1949 0.147 Uiso 1 1 calc R . .
C7 C 0.5229(5) 0.7920(3) 0.0896(3) 0.0648(14) Uani 1 1 d . . .
H7A H 0.4683 0.8209 0.1190 0.086(16) Uiso 1 1 calc R . .
H7B H 0.4774 0.7742 0.0383 0.103 Uiso 1 1 calc R . .
H7C H 0.6058 0.8336 0.0974 0.103 Uiso 1 1 calc R . .
C8 C 0.6914(5) 0.6608(4) 0.0169(2) 0.0694(16) Uani 1 1 d . . .
H8A H 0.7332 0.6109 0.0014 0.085(16) Uiso 1 1 calc R . .
H8B H 0.7574 0.7164 0.0344 0.102 Uiso 1 1 calc R . .
H8C H 0.6251 0.6629 -0.0243 0.102 Uiso 1 1 calc R . .
C9 C 0.6711(4) 0.4911(3) 0.0819(3) 0.0621(15) Uani 1 1 d . . .
H9A H 0.6280 0.4609 0.0309 0.113(19) Uiso 1 1 calc R . .
H9B H 0.6525 0.4514 0.1111 0.135 Uiso 1 1 calc R . .
H9C H 0.7657 0.5070 0.0872 0.135 Uiso 1 1 calc R . .
C10 C 0.4914(4) 0.5255(3) 0.2006(3) 0.0619(14) Uani 1 1 d . . .
H10A H 0.4128 0.4842 0.1679 0.093 Uiso 1 1 calc R . .
H10B H 0.4697 0.5573 0.2450 0.093 Uiso 1 1 calc R . .
H10C H 0.5582 0.4924 0.2127 0.093 Uiso 1 1 calc R . .
C11 C 0.6962(3) 0.7717(2) 0.30482(19) 0.0317(9) Uani 1 1 d . . .
C12 C 0.6671(3) 0.7261(3) 0.3547(2) 0.0403(10) Uani 1 1 d . . .
H12A H 0.6629 0.6639 0.3427 0.048 Uiso 1 1 calc R . .
C13 C 0.6442(4) 0.7699(3) 0.4216(2) 0.0494(12) Uani 1 1 d . . .
H13A H 0.634(4) 0.741(2) 0.454(2) 0.051(12) Uiso 1 1 d . . .
C14 C 0.6510(4) 0.8615(3) 0.4421(2) 0.0549(13) Uani 1 1 d . . .
H14A H 0.6379 0.8909 0.4878 0.066 Uiso 1 1 calc R . .
C15 C 0.6773(4) 0.9085(3) 0.3939(2) 0.0535(13) Uani 1 1 d . . .
H15A H 0.6806 0.9706 0.4065 0.064 Uiso 1 1 calc R . .
C16 C 0.6994(4) 0.8648(2) 0.3263(2) 0.0429(11) Uani 1 1 d . . .
H16A H 0.720(3) 0.894(2) 0.2905(18) 0.033(9) Uiso 1 1 d . . .
C17 C 0.9882(3) 0.6119(2) 0.1917(2) 0.0391(10) Uani 1 1 d . . .
C18 C 1.0045(4) 0.6450(3) 0.1338(2) 0.0466(11) Uani 1 1 d . . .
H18A H 0.977(3) 0.695(2) 0.1323(18) 0.037(10) Uiso 1 1 d . . .
C19 C 1.0697(4) 0.6030(3) 0.0829(2) 0.0635(15) Uani 1 1 d . . .
H19A H 1.0816 0.6263 0.0441 0.076 Uiso 1 1 calc R . .
C20 C 1.1166(4) 0.5278(3) 0.0894(3) 0.0691(16) Uani 1 1 d . . .
H20A H 1.158(4) 0.505(3) 0.058(2) 0.068(14) Uiso 1 1 d . . .
C21 C 1.1019(4) 0.4940(3) 0.1464(3) 0.0676(16) Uani 1 1 d . . .
H21A H 1.1353 0.4433 0.1510 0.081 Uiso 1 1 calc R . .
C22 C 1.0372(4) 0.5350(3) 0.1972(2) 0.0509(12) Uani 1 1 d . . .
H22A H 1.032(3) 0.515(2) 0.2360(19) 0.041(11) Uiso 1 1 d . . .
C23 C 0.8858(3) 0.6011(2) 0.3191(2) 0.0363(9) Uani 1 1 d . . .
C24 C 0.8090(4) 0.5145(3) 0.2892(2) 0.0536(12) Uani 1 1 d . . .
H24A H 0.7746 0.4920 0.2384 0.064 Uiso 1 1 calc R . .
C25 C 0.7824(5) 0.4606(3) 0.3339(3) 0.0702(16) Uani 1 1 d . . .
H25A H 0.738(4) 0.405(3) 0.312(2) 0.053(12) Uiso 1 1 d . . .
C26 C 0.8328(5) 0.4921(3) 0.4081(3) 0.0729(15) Uani 1 1 d . . .
H26A H 0.814(4) 0.460(3) 0.437(2) 0.077(15) Uiso 1 1 d . . .
C27 C 0.9093(5) 0.5781(3) 0.4400(2) 0.0621(13) Uani 1 1 d . . .
H27A H 0.9419 0.6002 0.4910 0.075 Uiso 1 1 calc R . .
C28 C 0.9374(4) 0.6316(3) 0.3953(2) 0.0488(12) Uani 1 1 d . . .
H28A H 0.982(3) 0.685(2) 0.4142(19) 0.041(10) Uiso 1 1 d . . .
C29 C 1.0481(3) 0.7637(2) 0.31857(18) 0.0326(9) Uani 1 1 d . . .
C30 C 1.1763(4) 0.7492(3) 0.3257(2) 0.0471(12) Uani 1 1 d . . .
H30A H 1.189(3) 0.694(2) 0.2968(19) 0.041(10) Uiso 1 1 d . . .
C31 C 1.2834(4) 0.8135(3) 0.3737(2) 0.0557(14) Uani 1 1 d . . .
H31A H 1.361(4) 0.805(2) 0.3788(19) 0.045(11) Uiso 1 1 d . . .
C32 C 1.2630(4) 0.8923(3) 0.4151(2) 0.0517(13) Uani 1 1 d . . .
H32A H 1.329(3) 0.932(2) 0.4434(17) 0.028(9) Uiso 1 1 d . . .
C33 C 1.1387(4) 0.9089(3) 0.4099(2) 0.0520(13) Uani 1 1 d . . .
H33A H 1.122(3) 0.955(2) 0.4340(19) 0.042(11) Uiso 1 1 d . . .
C34 C 1.0306(4) 0.8452(3) 0.3611(2) 0.0448(11) Uani 1 1 d . . .
H34A H 0.950(3) 0.855(2) 0.3609(17) 0.028(9) Uiso 1 1 d . . .
Rh2 Rh 1.35339(3) 0.156245(19) 0.211868(17) 0.03889(8) Uani 1 1 d . . .
Cl2 Cl 1.45318(11) 0.27786(7) 0.16993(6) 0.0573(3) Uani 1 1 d . . .
P2 P 1.20751(10) 0.24088(7) 0.25755(6) 0.0411(3) Uani 1 1 d . . .
C35 C 1.2778(5) 0.0130(3) 0.2017(3) 0.0572(13) Uani 1 1 d . . .
C36 C 1.2082(4) 0.0268(3) 0.1342(2) 0.0510(12) Uani 1 1 d . . .
C37 C 1.3034(5) 0.0544(3) 0.0979(2) 0.0588(14) Uani 1 1 d . . .
C38 C 1.4350(5) 0.0547(3) 0.1404(3) 0.0654(15) Uani 1 1 d . . .
C39 C 1.4165(5) 0.0243(3) 0.2022(3) 0.0610(14) Uani 1 1 d . . .
C40 C 1.2151(5) -0.0287(3) 0.2518(3) 0.0792(17) Uani 1 1 d . . .
H40A H 1.1935 -0.0935 0.2314 0.119 Uiso 1 1 calc R . .
H40B H 1.1352 -0.0072 0.2571 0.119 Uiso 1 1 calc R . .
H40C H 1.2762 -0.0123 0.2994 0.119 Uiso 1 1 calc R . .
C41 C 1.0597(5) 0.0037(3) 0.1045(3) 0.0658(15) Uani 1 1 d . . .
H41A H 1.0390 -0.0218 0.0517 0.13(2) Uiso 1 1 calc R . .
H41B H 1.0250 0.0577 0.1166 0.161 Uiso 1 1 calc R . .
H41C H 1.0201 -0.0395 0.1260 0.161 Uiso 1 1 calc R . .
C42 C 1.2765(6) 0.0743(4) 0.0247(3) 0.090(2) Uani 1 1 d . . .
H42A H 1.2450 0.0184 -0.0145 0.15(2) Uiso 1 1 calc R . .
H42B H 1.3573 0.1069 0.0185 0.175 Uiso 1 1 calc R . .
H42C H 1.2100 0.1104 0.0234 0.175 Uiso 1 1 calc R . .
C43 C 1.5621(5) 0.0733(4) 0.1181(3) 0.103(2) Uani 1 1 d . . .
H43A H 1.5758 0.0181 0.0875 0.154 Uiso 1 1 calc R . .
H43B H 1.6345 0.0969 0.1613 0.154 Uiso 1 1 calc R . .
H43C H 1.5582 0.1169 0.0909 0.154 Uiso 1 1 calc R . .
C44 C 1.5198(6) 0.0032(3) 0.2563(3) 0.102(2) Uani 1 1 d . . .
H44A H 1.5272 -0.0587 0.2377 0.152 Uiso 1 1 calc R . .
H44B H 1.4947 0.0117 0.3026 0.152 Uiso 1 1 calc R . .
H44C H 1.6041 0.0429 0.2634 0.152 Uiso 1 1 calc R . .
C45 C 1.4931(4) 0.2016(2) 0.3114(2) 0.0423(10) Uani 1 1 d . . .
C46 C 1.6260(4) 0.2299(3) 0.3115(2) 0.0479(11) Uani 1 1 d . . .
H46A H 1.647(4) 0.241(2) 0.268(2) 0.050(11) Uiso 1 1 d . . .
C47 C 1.7283(4) 0.2458(3) 0.3737(3) 0.0574(13) Uani 1 1 d . . .
H47A H 1.8162 0.2641 0.3718 0.069 Uiso 1 1 calc R . .
C48 C 1.7010(4) 0.2349(3) 0.4368(3) 0.0667(15) Uani 1 1 d . . .
H48A H 1.7697 0.2460 0.4785 0.080 Uiso 1 1 calc R . .
C49 C 1.5712(4) 0.2075(3) 0.4391(2) 0.0672(15) Uani 1 1 d . . .
H49A H 1.5519 0.2003 0.4827 0.081 Uiso 1 1 calc R . .
C50 C 1.4690(4) 0.1903(3) 0.3771(2) 0.0560(13) Uani 1 1 d . . .
H50A H 1.3818 0.1706 0.3795 0.067 Uiso 1 1 calc R . .
C51 C 1.0743(4) 0.2481(3) 0.1826(2) 0.0503(12) Uani 1 1 d . . .
C52 C 0.9477(5) 0.2596(3) 0.1924(3) 0.0713(16) Uani 1 1 d . . .
H52A H 0.9289 0.2637 0.2382 0.086 Uiso 1 1 calc R . .
C53 C 0.8501(5) 0.2649(4) 0.1347(3) 0.0854(18) Uani 1 1 d . . .
H53A H 0.7670 0.2738 0.1419 0.102 Uiso 1 1 calc R . .
C54 C 0.8781(5) 0.2569(4) 0.0666(3) 0.0908(19) Uani 1 1 d . . .
H54A H 0.814(4) 0.257(3) 0.034(2) 0.072(14) Uiso 1 1 d . . .
C55 C 1.0014(5) 0.2457(3) 0.0566(3) 0.0720(16) Uani 1 1 d . . .
H55A H 1.0190 0.2403 0.0103 0.086 Uiso 1 1 calc R . .
C56 C 1.1000(5) 0.2424(3) 0.1141(2) 0.0594(13) Uani 1 1 d . . .
H56A H 1.1839 0.2363 0.1067 0.071 Uiso 1 1 calc R . .
C57 C 1.1127(4) 0.1941(3) 0.3152(2) 0.0463(11) Uani 1 1 d . . .
C58 C 1.1452(4) 0.2281(3) 0.3915(2) 0.0509(12) Uani 1 1 d . . .
H58A H 1.217(3) 0.277(2) 0.4155(19) 0.045(11) Uiso 1 1 d . . .
C59 C 1.0766(4) 0.1859(3) 0.4327(3) 0.0632(14) Uani 1 1 d . . .
H59A H 1.1003 0.2085 0.4840 0.076 Uiso 1 1 calc R . .
C60 C 0.9762(5) 0.1127(3) 0.4000(3) 0.0706(14) Uani 1 1 d . . .
H60A H 0.9314 0.0853 0.4286 0.085 Uiso 1 1 calc R . .
C61 C 0.9404(5) 0.0791(3) 0.3254(3) 0.0779(17) Uani 1 1 d . . .
H61A H 0.8703 0.0290 0.3029 0.094 Uiso 1 1 calc R . .
C62 C 1.0078(5) 0.1192(3) 0.2830(3) 0.0690(16) Uani 1 1 d . . .
H62A H 0.974(3) 0.095(2) 0.2347(17) 0.029(9) Uiso 1 1 d . . .
C63 C 1.2700(4) 0.3598(2) 0.3134(2) 0.0467(11) Uani 1 1 d . . .
C64 C 1.4031(4) 0.3984(3) 0.3379(3) 0.0605(14) Uani 1 1 d . . .
H64A H 1.4651 0.3651 0.3235 0.073 Uiso 1 1 calc R . .
C65 C 1.4469(5) 0.4871(3) 0.3842(3) 0.0795(18) Uani 1 1 d . . .
H65A H 1.5378 0.5120 0.4016 0.095 Uiso 1 1 calc R . .
C66 C 1.3583(6) 0.5369(3) 0.4040(3) 0.084(2) Uani 1 1 d . . .
H66A H 1.389(4) 0.587(3) 0.433(2) 0.058(13) Uiso 1 1 d . . .
C67 C 1.2265(6) 0.5012(3) 0.3810(3) 0.089(2) Uani 1 1 d . . .
H67A H 1.1664 0.5361 0.3954 0.106 Uiso 1 1 calc R . .
C68 C 1.1797(5) 0.4125(3) 0.3360(3) 0.0780(18) Uani 1 1 d . . .
H68A H 1.0885 0.3879 0.3209 0.094 Uiso 1 1 calc R . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Rh1 C11 2.054(3) . ?
Rh1 C5 2.201(3) . ?
Rh1 C1 2.229(3) . ?
Rh1 C2 2.229(4) . ?
Rh1 C3 2.280(3) . ?
Rh1 C4 2.292(3) . ?
Rh1 P1 2.2939(10) . ?
Rh1 Cl1 2.4074(10) . ?
P1 C23 1.821(4) . ?
P1 C29 1.834(3) . ?
P1 C17 1.836(4) . ?
C1 C2 1.405(6) . ?
C1 C5 1.440(6) . ?
C1 C6 1.508(6) . ?
C2 C3 1.447(6) . ?
C2 C7 1.502(6) . ?
C3 C4 1.389(6) . ?
C3 C8 1.501(6) . ?
C4 C5 1.447(6) . ?
C4 C9 1.513(6) . ?
C5 C10 1.499(6) . ?
C6 H6A 0.9600 . ?
C6 H6B 0.9600 . ?
C6 H6C 0.9600 . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C11 C12 1.384(5) . ?
C11 C16 1.399(5) . ?
C12 C13 1.380(5) . ?
C12 H12A 0.9300 . ?
C13 C14 1.369(6) . ?
C13 H13A 0.88(4) . ?
C14 C15 1.364(7) . ?
C14 H14A 0.9300 . ?
C15 C16 1.387(6) . ?
C15 H15A 0.9300 . ?
C16 H16A 0.95(3) . ?
C17 C18 1.372(6) . ?
C17 C22 1.394(6) . ?
C18 C19 1.385(6) . ?
C18 H18A 0.88(3) . ?
C19 C20 1.366(7) . ?
C19 H19A 0.9300 . ?
C20 C21 1.358(8) . ?
C20 H20A 0.85(4) . ?
C21 C22 1.376(6) . ?
C21 H21A 0.9300 . ?
C22 H22A 0.89(4) . ?
C23 C24 1.376(5) . ?
C23 C28 1.391(5) . ?
C24 C25 1.383(7) . ?
C24 H24A 0.9300 . ?
C25 C26 1.358(7) . ?
C25 H25A 0.87(3) . ?
C26 C27 1.372(6) . ?
C26 H26A 0.86(5) . ?
C27 C28 1.384(6) . ?
C27 H27A 0.9300 . ?
C28 H28A 0.83(3) . ?
C29 C30 1.379(5) . ?
C29 C34 1.386(5) . ?
C30 C31 1.379(5) . ?
C30 H30A 0.94(3) . ?
C31 C32 1.355(6) . ?
C31 H31A 0.84(4) . ?
C32 C33 1.353(6) . ?
C32 H32A 0.84(3) . ?
C33 C34 1.387(5) . ?
C33 H33A 0.82(3) . ?
C34 H34A 0.87(3) . ?
Rh2 C45 2.059(4) . ?
Rh2 C35 2.198(4) . ?
Rh2 C38 2.209(5) . ?
Rh2 C39 2.232(4) . ?
Rh2 C37 2.270(4) . ?
Rh2 C36 2.296(4) . ?
Rh2 P2 2.3194(11) . ?
Rh2 Cl2 2.4153(11) . ?
P2 C57 1.832(4) . ?
P2 C63 1.836(4) . ?
P2 C51 1.844(4) . ?
C35 C39 1.431(7) . ?
C35 C36 1.450(6) . ?
C35 C40 1.489(7) . ?
C36 C37 1.397(6) . ?
C36 C41 1.500(6) . ?
C37 C38 1.460(6) . ?
C37 C42 1.504(7) . ?
C38 C39 1.424(7) . ?
C38 C43 1.482(7) . ?
C39 C44 1.489(7) . ?
C40 H40A 0.9600 . ?
C40 H40B 0.9600 . ?
C40 H40C 0.9600 . ?
C41 H41A 0.9600 . ?
C41 H41B 0.9600 . ?
C41 H41C 0.9600 . ?
C42 H42A 0.9600 . ?
C42 H42B 0.9600 . ?
C42 H42C 0.9600 . ?
C43 H43A 0.9600 . ?
C43 H43B 0.9600 . ?
C43 H43C 0.9600 . ?
C44 H44A 0.9600 . ?
C44 H44B 0.9600 . ?
C44 H44C 0.9600 . ?
C45 C50 1.385(6) . ?
C45 C46 1.391(5) . ?
C46 C47 1.387(6) . ?
C46 H46A 0.96(4) . ?
C47 C48 1.345(7) . ?
C47 H47A 0.9300 . ?
C48 C49 1.371(6) . ?
C48 H48A 0.9300 . ?
C49 C50 1.380(6) . ?
C49 H49A 0.9300 . ?
C50 H50A 0.9300 . ?
C51 C56 1.380(6) . ?
C51 C52 1.403(6) . ?
C52 C53 1.389(7) . ?
C52 H52A 0.9300 . ?
C53 C54 1.376(8) . ?
C53 H53A 0.9300 . ?
C54 C55 1.369(8) . ?
C54 H54A 0.84(4) . ?
C55 C56 1.380(6) . ?
C55 H55A 0.9300 . ?
C56 H56A 0.9300 . ?
C57 C58 1.384(6) . ?
C57 C62 1.389(6) . ?
C58 C59 1.384(6) . ?
C58 H58A 0.94(3) . ?
C59 C60 1.348(6) . ?
C59 H59A 0.9300 . ?
C60 C61 1.352(7) . ?
C60 H60A 0.9300 . ?
C61 C62 1.378(7) . ?
C61 H61A 0.9300 . ?
C62 H62A 0.89(3) . ?
C63 C64 1.366(6) . ?
C63 C68 1.403(6) . ?
C64 C65 1.394(6) . ?
C64 H64A 0.9300 . ?
C65 C66 1.346(7) . ?
C65 H65A 0.9300 . ?
C66 C67 1.345(7) . ?
C66 H66A 0.81(4) . ?
C67 C68 1.387(6) . ?
C67 H67A 0.9300 . ?
C68 H68A 0.9300 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C11 Rh1 C5 101.63(14) . . ?
C11 Rh1 C1 88.93(13) . . ?
C5 Rh1 C1 37.93(14) . . ?
C11 Rh1 C2 112.54(14) . . ?
C5 Rh1 C2 62.52(15) . . ?
C1 Rh1 C2 36.75(15) . . ?
C11 Rh1 C3 149.04(13) . . ?
C5 Rh1 C3 61.76(15) . . ?
C1 Rh1 C3 61.67(14) . . ?
C2 Rh1 C3 37.40(14) . . ?
C11 Rh1 C4 138.77(14) . . ?
C5 Rh1 C4 37.51(14) . . ?
C1 Rh1 C4 61.78(14) . . ?
C2 Rh1 C4 61.06(14) . . ?
C3 Rh1 C4 35.37(15) . . ?
C11 Rh1 P1 87.53(10) . . ?
C5 Rh1 P1 113.40(11) . . ?
C1 Rh1 P1 149.17(11) . . ?
C2 Rh1 P1 159.86(11) . . ?
C3 Rh1 P1 122.50(11) . . ?
C4 Rh1 P1 103.00(10) . . ?
C11 Rh1 Cl1 94.90(10) . . ?
C5 Rh1 Cl1 152.37(11) . . ?
C1 Rh1 Cl1 121.74(11) . . ?
C2 Rh1 Cl1 90.76(11) . . ?
C3 Rh1 Cl1 93.07(11) . . ?
C4 Rh1 Cl1 124.57(11) . . ?
P1 Rh1 Cl1 89.09(4) . . ?
C23 P1 C29 101.45(16) . . ?
C23 P1 C17 104.39(18) . . ?
C29 P1 C17 100.71(16) . . ?
C23 P1 Rh1 116.22(12) . . ?
C29 P1 Rh1 120.81(12) . . ?
C17 P1 Rh1 111.03(12) . . ?
C2 C1 C5 107.8(3) . . ?
C2 C1 C6 127.0(4) . . ?
C5 C1 C6 125.2(4) . . ?
C2 C1 Rh1 71.6(2) . . ?
C5 C1 Rh1 70.0(2) . . ?
C6 C1 Rh1 125.0(2) . . ?
C1 C2 C3 108.3(4) . . ?
C1 C2 C7 126.6(4) . . ?
C3 C2 C7 124.8(4) . . ?
C1 C2 Rh1 71.6(2) . . ?
C3 C2 Rh1 73.2(2) . . ?
C7 C2 Rh1 126.0(3) . . ?
C4 C3 C2 108.2(4) . . ?
C4 C3 C8 128.0(4) . . ?
C2 C3 C8 123.7(4) . . ?
C4 C3 Rh1 72.8(2) . . ?
C2 C3 Rh1 69.4(2) . . ?
C8 C3 Rh1 126.8(3) . . ?
C3 C4 C5 108.4(3) . . ?
C3 C4 C9 125.9(4) . . ?
C5 C4 C9 125.5(4) . . ?
C3 C4 Rh1 71.8(2) . . ?
C5 C4 Rh1 67.82(19) . . ?
C9 C4 Rh1 130.3(3) . . ?
C1 C5 C4 107.0(4) . . ?
C1 C5 C10 124.4(4) . . ?
C4 C5 C10 126.5(4) . . ?
C1 C5 Rh1 72.09(19) . . ?
C4 C5 Rh1 74.7(2) . . ?
C10 C5 Rh1 131.4(3) . . ?
C1 C6 H6A 109.5 . . ?
C1 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C1 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C2 C7 H7A 109.5 . . ?
C2 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C2 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C3 C8 H8A 109.5 . . ?
C3 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C3 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C4 C9 H9A 109.5 . . ?
C4 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C4 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C5 C10 H10A 109.5 . . ?
C5 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C5 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C12 C11 C16 115.6(3) . . ?
C12 C11 Rh1 123.0(3) . . ?
C16 C11 Rh1 121.2(3) . . ?
C13 C12 C11 122.1(4) . . ?
C13 C12 H12A 118.9 . . ?
C11 C12 H12A 118.9 . . ?
C14 C13 C12 121.1(4) . . ?
C14 C13 H13A 118(2) . . ?
C12 C13 H13A 121(2) . . ?
C15 C14 C13 118.4(4) . . ?
C15 C14 H14A 120.8 . . ?
C13 C14 H14A 120.8 . . ?
C14 C15 C16 120.7(4) . . ?
C14 C15 H15A 119.6 . . ?
C16 C15 H15A 119.6 . . ?
C15 C16 C11 121.9(4) . . ?
C15 C16 H16A 125.2(19) . . ?
C11 C16 H16A 112.9(19) . . ?
C18 C17 C22 118.4(4) . . ?
C18 C17 P1 118.1(3) . . ?
C22 C17 P1 123.5(3) . . ?
C17 C18 C19 120.1(4) . . ?
C17 C18 H18A 118(2) . . ?
C19 C18 H18A 122(2) . . ?
C20 C19 C18 120.4(5) . . ?
C20 C19 H19A 119.8 . . ?
C18 C19 H19A 119.8 . . ?
C21 C20 C19 120.4(5) . . ?
C21 C20 H20A 122(3) . . ?
C19 C20 H20A 118(3) . . ?
C20 C21 C22 119.7(5) . . ?
C20 C21 H21A 120.2 . . ?
C22 C21 H21A 120.2 . . ?
C21 C22 C17 121.0(5) . . ?
C21 C22 H22A 119(2) . . ?
C17 C22 H22A 120(2) . . ?
C24 C23 C28 117.8(4) . . ?
C24 C23 P1 119.4(3) . . ?
C28 C23 P1 122.6(3) . . ?
C23 C24 C25 120.8(4) . . ?
C23 C24 H24A 119.6 . . ?
C25 C24 H24A 119.6 . . ?
C26 C25 C24 120.4(4) . . ?
C26 C25 H25A 122(3) . . ?
C24 C25 H25A 117(3) . . ?
C25 C26 C27 120.5(5) . . ?
C25 C26 H26A 121(3) . . ?
C27 C26 H26A 118(3) . . ?
C26 C27 C28 119.1(4) . . ?
C26 C27 H27A 120.5 . . ?
C28 C27 H27A 120.5 . . ?
C27 C28 C23 121.4(4) . . ?
C27 C28 H28A 120(3) . . ?
C23 C28 H28A 119(3) . . ?
C30 C29 C34 117.7(3) . . ?
C30 C29 P1 119.9(3) . . ?
C34 C29 P1 122.3(3) . . ?
C31 C30 C29 121.2(4) . . ?
C31 C30 H30A 121(2) . . ?
C29 C30 H30A 118(2) . . ?
C32 C31 C30 119.8(4) . . ?
C32 C31 H31A 118(2) . . ?
C30 C31 H31A 122(2) . . ?
C33 C32 C31 120.9(4) . . ?
C33 C32 H32A 120(2) . . ?
C31 C32 H32A 119(2) . . ?
C32 C33 C34 119.8(4) . . ?
C32 C33 H33A 124(2) . . ?
C34 C33 H33A 116(2) . . ?
C29 C34 C33 120.6(4) . . ?
C29 C34 H34A 120.0(19) . . ?
C33 C34 H34A 119.0(19) . . ?
C45 Rh2 C35 103.41(16) . . ?
C45 Rh2 C38 104.75(17) . . ?
C35 Rh2 C38 63.06(18) . . ?
C45 Rh2 C39 85.08(16) . . ?
C35 Rh2 C39 37.67(17) . . ?
C38 Rh2 C39 37.39(19) . . ?
C45 Rh2 C37 142.63(17) . . ?
C35 Rh2 C37 62.03(17) . . ?
C38 Rh2 C37 38.02(17) . . ?
C39 Rh2 C37 62.24(18) . . ?
C45 Rh2 C36 140.93(16) . . ?
C35 Rh2 C36 37.56(16) . . ?
C38 Rh2 C36 61.85(16) . . ?
C39 Rh2 C36 61.93(16) . . ?
C37 Rh2 C36 35.61(16) . . ?
C45 Rh2 P2 92.74(11) . . ?
C35 Rh2 P2 108.79(13) . . ?
C38 Rh2 P2 161.90(12) . . ?
C39 Rh2 P2 143.23(14) . . ?
C37 Rh2 P2 124.13(13) . . ?
C36 Rh2 P2 101.47(12) . . ?
C45 Rh2 Cl2 91.90(11) . . ?
C35 Rh2 Cl2 153.83(13) . . ?
C38 Rh2 Cl2 92.77(14) . . ?
C39 Rh2 Cl2 125.47(14) . . ?
C37 Rh2 Cl2 92.99(13) . . ?
C36 Rh2 Cl2 123.54(12) . . ?
P2 Rh2 Cl2 91.26(4) . . ?
C57 P2 C63 102.21(19) . . ?
C57 P2 C51 102.38(19) . . ?
C63 P2 C51 102.83(18) . . ?
C57 P2 Rh2 115.51(14) . . ?
C63 P2 Rh2 120.00(14) . . ?
C51 P2 Rh2 111.73(14) . . ?
C39 C35 C36 108.0(4) . . ?
C39 C35 C40 124.2(4) . . ?
C36 C35 C40 126.0(4) . . ?
C39 C35 Rh2 72.4(2) . . ?
C36 C35 Rh2 74.9(2) . . ?
C40 C35 Rh2 130.3(3) . . ?
C37 C36 C35 108.0(4) . . ?
C37 C36 C41 126.2(4) . . ?
C35 C36 C41 125.3(4) . . ?
C37 C36 Rh2 71.2(2) . . ?
C35 C36 Rh2 67.6(2) . . ?
C41 C36 Rh2 132.7(3) . . ?
C36 C37 C38 108.3(4) . . ?
C36 C37 C42 126.5(4) . . ?
C38 C37 C42 125.0(5) . . ?
C36 C37 Rh2 73.2(2) . . ?
C38 C37 Rh2 68.7(2) . . ?
C42 C37 Rh2 127.0(3) . . ?
C39 C38 C37 107.6(4) . . ?
C39 C38 C43 126.6(5) . . ?
C37 C38 C43 125.5(5) . . ?
C39 C38 Rh2 72.2(3) . . ?
C37 C38 Rh2 73.2(3) . . ?
C43 C38 Rh2 125.4(3) . . ?
C38 C39 C35 107.7(4) . . ?
C38 C39 C44 127.1(5) . . ?
C35 C39 C44 125.1(5) . . ?
C38 C39 Rh2 70.5(3) . . ?
C35 C39 Rh2 69.9(2) . . ?
C44 C39 Rh2 127.2(3) . . ?
C35 C40 H40A 109.5 . . ?
C35 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
C35 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C36 C41 H41A 109.5 . . ?
C36 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
C36 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C37 C42 H42A 109.5 . . ?
C37 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
C37 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C38 C43 H43A 109.5 . . ?
C38 C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
C38 C43 H43C 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C39 C44 H44A 109.5 . . ?
C39 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
C39 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C50 C45 C46 116.1(4) . . ?
C50 C45 Rh2 124.2(3) . . ?
C46 C45 Rh2 118.6(3) . . ?
C47 C46 C45 121.9(4) . . ?
C47 C46 H46A 119(2) . . ?
C45 C46 H46A 119(2) . . ?
C48 C47 C46 120.4(4) . . ?
C48 C47 H47A 119.8 . . ?
C46 C47 H47A 119.8 . . ?
C47 C48 C49 119.5(4) . . ?
C47 C48 H48A 120.2 . . ?
C49 C48 H48A 120.2 . . ?
C48 C49 C50 120.4(5) . . ?
C48 C49 H49A 119.8 . . ?
C50 C49 H49A 119.8 . . ?
C49 C50 C45 121.7(4) . . ?
C49 C50 H50A 119.2 . . ?
C45 C50 H50A 119.2 . . ?
C56 C51 C52 118.4(4) . . ?
C56 C51 P2 118.9(3) . . ?
C52 C51 P2 122.7(4) . . ?
C53 C52 C51 121.1(5) . . ?
C53 C52 H52A 119.5 . . ?
C51 C52 H52A 119.5 . . ?
C54 C53 C52 119.0(5) . . ?
C54 C53 H53A 120.5 . . ?
C52 C53 H53A 120.5 . . ?
C55 C54 C53 120.3(5) . . ?
C55 C54 H54A 125(3) . . ?
C53 C54 H54A 114(3) . . ?
C54 C55 C56 121.0(5) . . ?
C54 C55 H55A 119.5 . . ?
C56 C55 H55A 119.5 . . ?
C55 C56 C51 120.2(5) . . ?
C55 C56 H56A 119.9 . . ?
C51 C56 H56A 119.9 . . ?
C58 C57 C62 117.4(4) . . ?
C58 C57 P2 122.3(3) . . ?
C62 C57 P2 120.2(3) . . ?
C59 C58 C57 120.0(4) . . ?
C59 C58 H58A 120(2) . . ?
C57 C58 H58A 120(2) . . ?
C60 C59 C58 121.2(4) . . ?
C60 C59 H59A 119.4 . . ?
C58 C59 H59A 119.4 . . ?
C59 C60 C61 120.1(5) . . ?
C59 C60 H60A 119.9 . . ?
C61 C60 H60A 119.9 . . ?
C60 C61 C62 119.9(4) . . ?
C60 C61 H61A 120.1 . . ?
C62 C61 H61A 120.1 . . ?
C61 C62 C57 121.4(4) . . ?
C61 C62 H62A 114(2) . . ?
C57 C62 H62A 124(2) . . ?
C64 C63 C68 117.9(4) . . ?
C64 C63 P2 122.4(3) . . ?
C68 C63 P2 119.6(3) . . ?
C63 C64 C65 120.7(4) . . ?
C63 C64 H64A 119.7 . . ?
C65 C64 H64A 119.7 . . ?
C66 C65 C64 120.4(5) . . ?
C66 C65 H65A 119.8 . . ?
C64 C65 H65A 119.8 . . ?
C67 C66 C65 120.6(4) . . ?
C67 C66 H66A 123(3) . . ?
C65 C66 H66A 116(3) . . ?
C66 C67 C68 120.5(5) . . ?
C66 C67 H67A 119.7 . . ?
C68 C67 H67A 119.7 . . ?
C67 C68 C63 119.9(4) . . ?
C67 C68 H68A 120.0 . . ?
C63 C68 H68A 120.0 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C11 Rh1 P1 C23 62.92(16) . . . . ?
C5 Rh1 P1 C23 -38.70(17) . . . . ?
C1 Rh1 P1 C23 -20.8(2) . . . . ?
C2 Rh1 P1 C23 -112.4(3) . . . . ?
C3 Rh1 P1 C23 -109.09(18) . . . . ?
C4 Rh1 P1 C23 -76.78(17) . . . . ?
Cl1 Rh1 P1 C23 157.86(13) . . . . ?
C11 Rh1 P1 C29 -60.54(17) . . . . ?
C5 Rh1 P1 C29 -162.15(18) . . . . ?
C1 Rh1 P1 C29 -144.3(2) . . . . ?
C2 Rh1 P1 C29 124.1(3) . . . . ?
C3 Rh1 P1 C29 127.45(19) . . . . ?
C4 Rh1 P1 C29 159.77(18) . . . . ?
Cl1 Rh1 P1 C29 34.40(14) . . . . ?
C11 Rh1 P1 C17 -178.00(16) . . . . ?
C5 Rh1 P1 C17 80.39(18) . . . . ?
C1 Rh1 P1 C17 98.2(2) . . . . ?
C2 Rh1 P1 C17 6.7(3) . . . . ?
C3 Rh1 P1 C17 10.00(19) . . . . ?
C4 Rh1 P1 C17 42.31(17) . . . . ?
Cl1 Rh1 P1 C17 -83.05(14) . . . . ?
C11 Rh1 C1 C2 131.8(2) . . . . ?
C5 Rh1 C1 C2 -117.6(3) . . . . ?
C3 Rh1 C1 C2 -38.2(2) . . . . ?
C4 Rh1 C1 C2 -78.5(2) . . . . ?
P1 Rh1 C1 C2 -144.9(2) . . . . ?
Cl1 Rh1 C1 C2 36.7(2) . . . . ?
C11 Rh1 C1 C5 -110.6(2) . . . . ?
C2 Rh1 C1 C5 117.6(3) . . . . ?
C3 Rh1 C1 C5 79.5(2) . . . . ?
C4 Rh1 C1 C5 39.1(2) . . . . ?
P1 Rh1 C1 C5 -27.2(3) . . . . ?
Cl1 Rh1 C1 C5 154.3(2) . . . . ?
C11 Rh1 C1 C6 9.0(4) . . . . ?
C5 Rh1 C1 C6 119.6(5) . . . . ?
C2 Rh1 C1 C6 -122.8(5) . . . . ?
C3 Rh1 C1 C6 -160.9(4) . . . . ?
C4 Rh1 C1 C6 158.7(4) . . . . ?
P1 Rh1 C1 C6 92.4(4) . . . . ?
Cl1 Rh1 C1 C6 -86.1(4) . . . . ?
C5 C1 C2 C3 3.6(4) . . . . ?
C6 C1 C2 C3 -175.0(3) . . . . ?
Rh1 C1 C2 C3 64.5(2) . . . . ?
C5 C1 C2 C7 177.4(3) . . . . ?
C6 C1 C2 C7 -1.2(6) . . . . ?
Rh1 C1 C2 C7 -121.7(4) . . . . ?
C5 C1 C2 Rh1 -61.0(2) . . . . ?
C6 C1 C2 Rh1 120.4(3) . . . . ?
C11 Rh1 C2 C1 -53.9(3) . . . . ?
C5 Rh1 C2 C1 37.9(2) . . . . ?
C3 Rh1 C2 C1 116.5(3) . . . . ?
C4 Rh1 C2 C1 80.6(2) . . . . ?
P1 Rh1 C2 C1 121.1(3) . . . . ?
Cl1 Rh1 C2 C1 -149.5(2) . . . . ?
C11 Rh1 C2 C3 -170.3(2) . . . . ?
C5 Rh1 C2 C3 -78.6(2) . . . . ?
C1 Rh1 C2 C3 -116.5(3) . . . . ?
C4 Rh1 C2 C3 -35.8(2) . . . . ?
P1 Rh1 C2 C3 4.6(5) . . . . ?
Cl1 Rh1 C2 C3 94.1(2) . . . . ?
C11 Rh1 C2 C7 68.5(4) . . . . ?
C5 Rh1 C2 C7 160.2(4) . . . . ?
C1 Rh1 C2 C7 122.3(5) . . . . ?
C3 Rh1 C2 C7 -121.2(5) . . . . ?
C4 Rh1 C2 C7 -157.0(4) . . . . ?
P1 Rh1 C2 C7 -116.6(4) . . . . ?
Cl1 Rh1 C2 C7 -27.2(4) . . . . ?
C1 C2 C3 C4 -0.6(4) . . . . ?
C7 C2 C3 C4 -174.6(3) . . . . ?
Rh1 C2 C3 C4 62.8(2) . . . . ?
C1 C2 C3 C8 175.3(3) . . . . ?
C7 C2 C3 C8 1.3(5) . . . . ?
Rh1 C2 C3 C8 -121.3(3) . . . . ?
C1 C2 C3 Rh1 -63.5(2) . . . . ?
C7 C2 C3 Rh1 122.6(4) . . . . ?
C11 Rh1 C3 C4 -100.2(3) . . . . ?
C5 Rh1 C3 C4 -37.0(2) . . . . ?
C1 Rh1 C3 C4 -80.3(3) . . . . ?
C2 Rh1 C3 C4 -117.8(3) . . . . ?
P1 Rh1 C3 C4 64.1(2) . . . . ?
Cl1 Rh1 C3 C4 155.0(2) . . . . ?
C11 Rh1 C3 C2 17.6(4) . . . . ?
C5 Rh1 C3 C2 80.8(2) . . . . ?
C1 Rh1 C3 C2 37.5(2) . . . . ?
C4 Rh1 C3 C2 117.8(3) . . . . ?
P1 Rh1 C3 C2 -178.11(19) . . . . ?
Cl1 Rh1 C3 C2 -87.2(2) . . . . ?
C11 Rh1 C3 C8 134.9(4) . . . . ?
C5 Rh1 C3 C8 -161.9(4) . . . . ?
C1 Rh1 C3 C8 154.8(4) . . . . ?
C2 Rh1 C3 C8 117.3(5) . . . . ?
C4 Rh1 C3 C8 -124.9(5) . . . . ?
P1 Rh1 C3 C8 -60.8(4) . . . . ?
Cl1 Rh1 C3 C8 30.1(4) . . . . ?
C2 C3 C4 C5 -2.5(4) . . . . ?
C8 C3 C4 C5 -178.2(3) . . . . ?
Rh1 C3 C4 C5 58.1(2) . . . . ?
C2 C3 C4 C9 172.2(3) . . . . ?
C8 C3 C4 C9 -3.4(6) . . . . ?
Rh1 C3 C4 C9 -127.1(4) . . . . ?
C2 C3 C4 Rh1 -60.7(2) . . . . ?
C8 C3 C4 Rh1 123.7(4) . . . . ?
C11 Rh1 C4 C3 129.8(3) . . . . ?
C5 Rh1 C4 C3 119.5(3) . . . . ?
C1 Rh1 C4 C3 79.9(3) . . . . ?
C2 Rh1 C4 C3 37.9(2) . . . . ?
P1 Rh1 C4 C3 -128.9(2) . . . . ?
Cl1 Rh1 C4 C3 -30.9(3) . . . . ?
C11 Rh1 C4 C5 10.3(3) . . . . ?
C1 Rh1 C4 C5 -39.6(2) . . . . ?
C2 Rh1 C4 C5 -81.6(3) . . . . ?
C3 Rh1 C4 C5 -119.5(3) . . . . ?
P1 Rh1 C4 C5 111.6(2) . . . . ?
Cl1 Rh1 C4 C5 -150.4(2) . . . . ?
C11 Rh1 C4 C9 -108.1(4) . . . . ?
C5 Rh1 C4 C9 -118.4(5) . . . . ?
C1 Rh1 C4 C9 -158.0(5) . . . . ?
C2 Rh1 C4 C9 159.9(5) . . . . ?
C3 Rh1 C4 C9 122.1(5) . . . . ?
P1 Rh1 C4 C9 -6.8(4) . . . . ?
Cl1 Rh1 C4 C9 91.2(4) . . . . ?
C2 C1 C5 C4 -5.1(4) . . . . ?
C6 C1 C5 C4 173.6(3) . . . . ?
Rh1 C1 C5 C4 -67.1(2) . . . . ?
C2 C1 C5 C10 -169.6(3) . . . . ?
C6 C1 C5 C10 9.1(5) . . . . ?
Rh1 C1 C5 C10 128.4(4) . . . . ?
C2 C1 C5 Rh1 62.0(2) . . . . ?
C6 C1 C5 Rh1 -119.3(3) . . . . ?
C3 C4 C5 C1 4.7(4) . . . . ?
C9 C4 C5 C1 -170.1(3) . . . . ?
Rh1 C4 C5 C1 65.3(2) . . . . ?
C3 C4 C5 C10 168.8(3) . . . . ?
C9 C4 C5 C10 -6.0(6) . . . . ?
Rh1 C4 C5 C10 -130.6(4) . . . . ?
C3 C4 C5 Rh1 -60.6(2) . . . . ?
C9 C4 C5 Rh1 124.6(3) . . . . ?
C11 Rh1 C5 C1 72.8(2) . . . . ?
C2 Rh1 C5 C1 -36.7(2) . . . . ?
C3 Rh1 C5 C1 -79.2(2) . . . . ?
C4 Rh1 C5 C1 -114.1(3) . . . . ?
P1 Rh1 C5 C1 165.2(2) . . . . ?
Cl1 Rh1 C5 C1 -52.7(4) . . . . ?
C11 Rh1 C5 C4 -173.1(2) . . . . ?
C1 Rh1 C5 C4 114.1(3) . . . . ?
C2 Rh1 C5 C4 77.4(2) . . . . ?
C3 Rh1 C5 C4 34.9(2) . . . . ?
P1 Rh1 C5 C4 -80.7(2) . . . . ?
Cl1 Rh1 C5 C4 61.4(3) . . . . ?
C11 Rh1 C5 C10 -47.6(4) . . . . ?
C1 Rh1 C5 C10 -120.4(5) . . . . ?
C2 Rh1 C5 C10 -157.1(4) . . . . ?
C3 Rh1 C5 C10 160.4(4) . . . . ?
C4 Rh1 C5 C10 125.5(5) . . . . ?
P1 Rh1 C5 C10 44.8(4) . . . . ?
Cl1 Rh1 C5 C10 -173.1(3) . . . . ?
C5 Rh1 C11 C12 45.3(3) . . . . ?
C1 Rh1 C11 C12 81.3(3) . . . . ?
C2 Rh1 C11 C12 110.2(3) . . . . ?
C3 Rh1 C11 C12 98.7(4) . . . . ?
C4 Rh1 C11 C12 38.9(4) . . . . ?
P1 Rh1 C11 C12 -68.1(3) . . . . ?
Cl1 Rh1 C11 C12 -157.0(3) . . . . ?
C5 Rh1 C11 C16 -129.0(3) . . . . ?
C1 Rh1 C11 C16 -93.0(3) . . . . ?
C2 Rh1 C11 C16 -64.1(3) . . . . ?
C3 Rh1 C11 C16 -75.5(4) . . . . ?
C4 Rh1 C11 C16 -135.4(3) . . . . ?
P1 Rh1 C11 C16 117.6(3) . . . . ?
Cl1 Rh1 C11 C16 28.8(3) . . . . ?
C16 C11 C12 C13 -0.6(5) . . . . ?
Rh1 C11 C12 C13 -175.2(3) . . . . ?
C11 C12 C13 C14 -0.9(6) . . . . ?
C12 C13 C14 C15 1.8(6) . . . . ?
C13 C14 C15 C16 -1.3(6) . . . . ?
C14 C15 C16 C11 -0.2(6) . . . . ?
C12 C11 C16 C15 1.2(5) . . . . ?
Rh1 C11 C16 C15 175.8(3) . . . . ?
C23 P1 C17 C18 173.0(3) . . . . ?
C29 P1 C17 C18 -82.1(3) . . . . ?
Rh1 P1 C17 C18 47.1(3) . . . . ?
C23 P1 C17 C22 -8.7(3) . . . . ?
C29 P1 C17 C22 96.2(3) . . . . ?
Rh1 P1 C17 C22 -134.7(3) . . . . ?
C22 C17 C18 C19 -0.8(5) . . . . ?
P1 C17 C18 C19 177.5(3) . . . . ?
C17 C18 C19 C20 0.9(6) . . . . ?
C18 C19 C20 C21 -1.1(6) . . . . ?
C19 C20 C21 C22 1.1(6) . . . . ?
C20 C21 C22 C17 -1.0(6) . . . . ?
C18 C17 C22 C21 0.9(5) . . . . ?
P1 C17 C22 C21 -177.4(3) . . . . ?
C29 P1 C23 C24 -165.3(3) . . . . ?
C17 P1 C23 C24 -61.0(4) . . . . ?
Rh1 P1 C23 C24 61.7(4) . . . . ?
C29 P1 C23 C28 18.8(4) . . . . ?
C17 P1 C23 C28 123.2(3) . . . . ?
Rh1 P1 C23 C28 -114.2(3) . . . . ?
C28 C23 C24 C25 1.1(6) . . . . ?
P1 C23 C24 C25 -174.9(4) . . . . ?
C23 C24 C25 C26 -0.5(8) . . . . ?
C24 C25 C26 C27 0.8(8) . . . . ?
C25 C26 C27 C28 -1.7(8) . . . . ?
C26 C27 C28 C23 2.3(7) . . . . ?
C24 C23 C28 C27 -2.0(6) . . . . ?
P1 C23 C28 C27 173.9(3) . . . . ?
C23 P1 C29 C30 79.0(4) . . . . ?
C17 P1 C29 C30 -28.2(4) . . . . ?
Rh1 P1 C29 C30 -150.7(3) . . . . ?
C23 P1 C29 C34 -96.4(4) . . . . ?
C17 P1 C29 C34 156.3(3) . . . . ?
Rh1 P1 C29 C34 33.8(4) . . . . ?
C34 C29 C30 C31 0.3(7) . . . . ?
P1 C29 C30 C31 -175.4(4) . . . . ?
C29 C30 C31 C32 0.4(7) . . . . ?
C30 C31 C32 C33 -0.1(8) . . . . ?
C31 C32 C33 C34 -0.8(8) . . . . ?
C30 C29 C34 C33 -1.2(6) . . . . ?
P1 C29 C34 C33 174.4(3) . . . . ?
C32 C33 C34 C29 1.4(7) . . . . ?
C45 Rh2 P2 C57 -77.67(17) . . . . ?
C35 Rh2 P2 C57 27.49(19) . . . . ?
C38 Rh2 P2 C57 87.5(5) . . . . ?
C39 Rh2 P2 C57 7.8(2) . . . . ?
C37 Rh2 P2 C57 95.9(2) . . . . ?
C36 Rh2 P2 C57 65.74(18) . . . . ?
Cl2 Rh2 P2 C57 -169.63(14) . . . . ?
C45 Rh2 P2 C63 45.4(2) . . . . ?
C35 Rh2 P2 C63 150.6(2) . . . . ?
C38 Rh2 P2 C63 -149.4(5) . . . . ?
C39 Rh2 P2 C63 130.9(2) . . . . ?
C37 Rh2 P2 C63 -141.0(2) . . . . ?
C36 Rh2 P2 C63 -171.2(2) . . . . ?
Cl2 Rh2 P2 C63 -46.52(16) . . . . ?
C45 Rh2 P2 C51 165.85(18) . . . . ?
C35 Rh2 P2 C51 -88.99(19) . . . . ?
C38 Rh2 P2 C51 -29.0(5) . . . . ?
C39 Rh2 P2 C51 -108.7(2) . . . . ?
C37 Rh2 P2 C51 -20.6(2) . . . . ?
C36 Rh2 P2 C51 -50.74(19) . . . . ?
Cl2 Rh2 P2 C51 73.89(15) . . . . ?
C45 Rh2 C35 C39 -63.1(3) . . . . ?
C38 Rh2 C35 C39 36.9(3) . . . . ?
C37 Rh2 C35 C39 79.9(3) . . . . ?
C36 Rh2 C35 C39 114.9(4) . . . . ?
P2 Rh2 C35 C39 -160.7(2) . . . . ?
Cl2 Rh2 C35 C39 61.1(4) . . . . ?
C45 Rh2 C35 C36 -178.0(3) . . . . ?
C38 Rh2 C35 C36 -78.0(3) . . . . ?
C39 Rh2 C35 C36 -114.9(4) . . . . ?
C37 Rh2 C35 C36 -35.0(3) . . . . ?
P2 Rh2 C35 C36 84.4(3) . . . . ?
Cl2 Rh2 C35 C36 -53.7(4) . . . . ?
C45 Rh2 C35 C40 57.3(5) . . . . ?
C38 Rh2 C35 C40 157.2(5) . . . . ?
C39 Rh2 C35 C40 120.4(5) . . . . ?
C37 Rh2 C35 C40 -159.7(5) . . . . ?
C36 Rh2 C35 C40 -124.8(6) . . . . ?
P2 Rh2 C35 C40 -40.4(5) . . . . ?
Cl2 Rh2 C35 C40 -178.5(3) . . . . ?
C39 C35 C36 C37 -5.5(5) . . . . ?
C40 C35 C36 C37 -170.9(4) . . . . ?
Rh2 C35 C36 C37 59.9(3) . . . . ?
C39 C35 C36 C41 167.3(4) . . . . ?
C40 C35 C36 C41 1.9(7) . . . . ?
Rh2 C35 C36 C41 -127.3(4) . . . . ?
C39 C35 C36 Rh2 -65.4(3) . . . . ?
C40 C35 C36 Rh2 129.2(5) . . . . ?
C45 Rh2 C36 C37 -116.5(3) . . . . ?
C35 Rh2 C36 C37 -119.6(4) . . . . ?
C38 Rh2 C36 C37 -38.1(3) . . . . ?
C39 Rh2 C36 C37 -80.7(3) . . . . ?
P2 Rh2 C36 C37 134.4(3) . . . . ?
Cl2 Rh2 C36 C37 35.1(3) . . . . ?
C45 Rh2 C36 C35 3.1(4) . . . . ?
C38 Rh2 C36 C35 81.5(3) . . . . ?
C39 Rh2 C36 C35 38.9(3) . . . . ?
C37 Rh2 C36 C35 119.6(4) . . . . ?
P2 Rh2 C36 C35 -106.0(3) . . . . ?
Cl2 Rh2 C36 C35 154.7(2) . . . . ?
C45 Rh2 C36 C41 121.2(4) . . . . ?
C35 Rh2 C36 C41 118.0(6) . . . . ?
C38 Rh2 C36 C41 -160.4(5) . . . . ?
C39 Rh2 C36 C41 157.0(5) . . . . ?
C37 Rh2 C36 C41 -122.3(6) . . . . ?
P2 Rh2 C36 C41 12.1(5) . . . . ?
Cl2 Rh2 C36 C41 -87.2(5) . . . . ?
C35 C36 C37 C38 2.4(5) . . . . ?
C41 C36 C37 C38 -170.3(4) . . . . ?
Rh2 C36 C37 C38 60.1(3) . . . . ?
C35 C36 C37 C42 178.4(4) . . . . ?
C41 C36 C37 C42 5.7(7) . . . . ?
Rh2 C36 C37 C42 -123.9(5) . . . . ?
C35 C36 C37 Rh2 -57.7(3) . . . . ?
C41 C36 C37 Rh2 129.6(4) . . . . ?
C45 Rh2 C37 C36 111.6(3) . . . . ?
C35 Rh2 C37 C36 36.9(3) . . . . ?
C38 Rh2 C37 C36 118.0(4) . . . . ?
C39 Rh2 C37 C36 79.7(3) . . . . ?
P2 Rh2 C37 C36 -57.7(3) . . . . ?
Cl2 Rh2 C37 C36 -151.3(3) . . . . ?
C45 Rh2 C37 C38 -6.4(4) . . . . ?
C35 Rh2 C37 C38 -81.2(3) . . . . ?
C39 Rh2 C37 C38 -38.3(3) . . . . ?
C36 Rh2 C37 C38 -118.0(4) . . . . ?
P2 Rh2 C37 C38 -175.8(2) . . . . ?
Cl2 Rh2 C37 C38 90.7(3) . . . . ?
C45 Rh2 C37 C42 -124.9(4) . . . . ?
C35 Rh2 C37 C42 160.3(5) . . . . ?
C38 Rh2 C37 C42 -118.5(6) . . . . ?
C39 Rh2 C37 C42 -156.8(5) . . . . ?
C36 Rh2 C37 C42 123.5(6) . . . . ?
P2 Rh2 C37 C42 65.7(5) . . . . ?
Cl2 Rh2 C37 C42 -27.8(4) . . . . ?
C36 C37 C38 C39 1.6(5) . . . . ?
C42 C37 C38 C39 -174.5(4) . . . . ?
Rh2 C37 C38 C39 64.5(3) . . . . ?
C36 C37 C38 C43 175.2(4) . . . . ?
C42 C37 C38 C43 -0.9(7) . . . . ?
Rh2 C37 C38 C43 -121.9(5) . . . . ?
C36 C37 C38 Rh2 -62.9(3) . . . . ?
C42 C37 C38 Rh2 121.0(5) . . . . ?
C45 Rh2 C38 C39 60.6(3) . . . . ?
C35 Rh2 C38 C39 -37.1(2) . . . . ?
C37 Rh2 C38 C39 -115.3(4) . . . . ?
C36 Rh2 C38 C39 -79.7(3) . . . . ?
P2 Rh2 C38 C39 -104.1(5) . . . . ?
Cl2 Rh2 C38 C39 153.3(2) . . . . ?
C45 Rh2 C38 C37 176.0(3) . . . . ?
C35 Rh2 C38 C37 78.2(3) . . . . ?
C39 Rh2 C38 C37 115.3(4) . . . . ?
C36 Rh2 C38 C37 35.7(3) . . . . ?
P2 Rh2 C38 C37 11.3(6) . . . . ?
Cl2 Rh2 C38 C37 -91.3(3) . . . . ?
C45 Rh2 C38 C43 -62.0(5) . . . . ?
C35 Rh2 C38 C43 -159.8(6) . . . . ?
C39 Rh2 C38 C43 -122.6(6) . . . . ?
C37 Rh2 C38 C43 122.0(6) . . . . ?
C36 Rh2 C38 C43 157.7(6) . . . . ?
P2 Rh2 C38 C43 133.3(4) . . . . ?
Cl2 Rh2 C38 C43 30.7(5) . . . . ?
C37 C38 C39 C35 -4.9(5) . . . . ?
C43 C38 C39 C35 -178.5(4) . . . . ?
Rh2 C38 C39 C35 60.2(3) . . . . ?
C37 C38 C39 C44 172.4(4) . . . . ?
C43 C38 C39 C44 -1.2(7) . . . . ?
Rh2 C38 C39 C44 -122.5(4) . . . . ?
C37 C38 C39 Rh2 -65.2(3) . . . . ?
C43 C38 C39 Rh2 121.3(4) . . . . ?
C36 C35 C39 C38 6.4(4) . . . . ?
C40 C35 C39 C38 172.1(4) . . . . ?
Rh2 C35 C39 C38 -60.6(3) . . . . ?
C36 C35 C39 C44 -170.9(4) . . . . ?
C40 C35 C39 C44 -5.2(7) . . . . ?
Rh2 C35 C39 C44 122.0(4) . . . . ?
C36 C35 C39 Rh2 67.0(3) . . . . ?
C40 C35 C39 Rh2 -127.3(4) . . . . ?
C45 Rh2 C39 C38 -122.2(3) . . . . ?
C35 Rh2 C39 C38 118.3(4) . . . . ?
C37 Rh2 C39 C38 39.0(3) . . . . ?
C36 Rh2 C39 C38 79.5(3) . . . . ?
P2 Rh2 C39 C38 149.8(2) . . . . ?
Cl2 Rh2 C39 C38 -33.4(3) . . . . ?
C45 Rh2 C39 C35 119.5(3) . . . . ?
C38 Rh2 C39 C35 -118.3(4) . . . . ?
C37 Rh2 C39 C35 -79.3(3) . . . . ?
C36 Rh2 C39 C35 -38.8(3) . . . . ?
P2 Rh2 C39 C35 31.5(4) . . . . ?
Cl2 Rh2 C39 C35 -151.7(2) . . . . ?
C45 Rh2 C39 C44 0.1(5) . . . . ?
C35 Rh2 C39 C44 -119.4(6) . . . . ?
C38 Rh2 C39 C44 122.3(6) . . . . ?
C37 Rh2 C39 C44 161.3(6) . . . . ?
C36 Rh2 C39 C44 -158.2(6) . . . . ?
P2 Rh2 C39 C44 -87.9(5) . . . . ?
Cl2 Rh2 C39 C44 88.9(5) . . . . ?
C35 Rh2 C45 C50 -51.4(4) . . . . ?
C38 Rh2 C45 C50 -116.7(4) . . . . ?
C39 Rh2 C45 C50 -84.6(4) . . . . ?
C37 Rh2 C45 C50 -112.6(4) . . . . ?
C36 Rh2 C45 C50 -53.4(5) . . . . ?
P2 Rh2 C45 C50 58.6(4) . . . . ?
Cl2 Rh2 C45 C50 149.9(4) . . . . ?
C35 Rh2 C45 C46 115.9(3) . . . . ?
C38 Rh2 C45 C46 50.6(3) . . . . ?
C39 Rh2 C45 C46 82.7(3) . . . . ?
C37 Rh2 C45 C46 54.7(4) . . . . ?
C36 Rh2 C45 C46 113.9(3) . . . . ?
P2 Rh2 C45 C46 -134.1(3) . . . . ?
Cl2 Rh2 C45 C46 -42.7(3) . . . . ?
C50 C45 C46 C47 0.0(6) . . . . ?
Rh2 C45 C46 C47 -168.3(3) . . . . ?
C45 C46 C47 C48 -0.6(7) . . . . ?
C46 C47 C48 C49 0.4(7) . . . . ?
C47 C48 C49 C50 0.5(8) . . . . ?
C48 C49 C50 C45 -1.2(8) . . . . ?
C46 C45 C50 C49 0.9(6) . . . . ?
Rh2 C45 C50 C49 168.5(4) . . . . ?
C57 P2 C51 C56 -152.3(3) . . . . ?
C63 P2 C51 C56 102.0(4) . . . . ?
Rh2 P2 C51 C56 -28.1(4) . . . . ?
C57 P2 C51 C52 28.1(4) . . . . ?
C63 P2 C51 C52 -77.7(4) . . . . ?
Rh2 P2 C51 C52 152.3(3) . . . . ?
C56 C51 C52 C53 0.2(7) . . . . ?
P2 C51 C52 C53 179.8(4) . . . . ?
C51 C52 C53 C54 1.3(8) . . . . ?
C52 C53 C54 C55 -1.3(8) . . . . ?
C53 C54 C55 C56 -0.1(8) . . . . ?
C54 C55 C56 C51 1.7(7) . . . . ?
C52 C51 C56 C55 -1.6(6) . . . . ?
P2 C51 C56 C55 178.7(3) . . . . ?
C63 P2 C57 C58 -29.2(4) . . . . ?
C51 P2 C57 C58 -135.4(4) . . . . ?
Rh2 P2 C57 C58 102.9(3) . . . . ?
C63 P2 C57 C62 153.9(4) . . . . ?
C51 P2 C57 C62 47.7(4) . . . . ?
Rh2 P2 C57 C62 -74.0(4) . . . . ?
C62 C57 C58 C59 1.9(7) . . . . ?
P2 C57 C58 C59 -175.1(3) . . . . ?
C57 C58 C59 C60 -1.3(7) . . . . ?
C58 C59 C60 C61 -0.1(8) . . . . ?
C59 C60 C61 C62 0.7(8) . . . . ?
C60 C61 C62 C57 -0.1(8) . . . . ?
C58 C57 C62 C61 -1.2(7) . . . . ?
P2 C57 C62 C61 175.8(4) . . . . ?
C57 P2 C63 C64 120.5(4) . . . . ?
C51 P2 C63 C64 -133.6(4) . . . . ?
Rh2 P2 C63 C64 -8.8(5) . . . . ?
C57 P2 C63 C68 -55.5(4) . . . . ?
C51 P2 C63 C68 50.4(4) . . . . ?
Rh2 P2 C63 C68 175.2(3) . . . . ?
C68 C63 C64 C65 0.4(8) . . . . ?
P2 C63 C64 C65 -175.7(4) . . . . ?
C63 C64 C65 C66 -1.8(9) . . . . ?
C64 C65 C66 C67 1.8(10) . . . . ?
C65 C66 C67 C68 -0.6(10) . . . . ?
C66 C67 C68 C63 -0.8(10) . . . . ?
C64 C63 C68 C67 0.9(8) . . . . ?
P2 C63 C68 C67 177.1(5) . . . . ?

_diffrn_measured_fraction_theta_max 0.963
_diffrn_reflns_theta_full        27.58
_diffrn_measured_fraction_theta_full 0.963
_refine_diff_density_max         0.847
_refine_diff_density_min         -0.601
_refine_diff_density_rms         0.088

_exptl_crystal_recrystallization_method 'Vapour deposition'
####################################################################### 
# 
# 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_lyf5
_database_code_depnum_ccdc_archive 'CCDC 1455769'
_audit_update_record             
;
2016-05-12 deposited with the CCDC.
2016-05-26 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
'Rhodium,bromo-(1,2,3,4,5-pentamethylcyclopentadienyl)phenyl(triphenylphosphine) complex'
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C34 H35 Br P Rh'
_chemical_formula_weight         657.41

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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.2901 2.4595 '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'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.4383(2)
_cell_length_b                   15.6767(4)
_cell_length_c                   19.2505(5)
_cell_angle_alpha                104.905(2)
_cell_angle_beta                 100.8330(10)
_cell_angle_gamma                98.7530(10)
_cell_volume                     2922.39(12)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    7965
_cell_measurement_theta_min      2.27
_cell_measurement_theta_max      22.04

_exptl_crystal_description       PLATE
_exptl_crystal_colour            gold
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.494
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1336
_exptl_absorpt_coefficient_mu    2.027
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6642
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_process_details   'SAINT ver 7.34; Bruker SADABS'

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEXII CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            80719
_diffrn_reflns_av_R_equivalents  0.0940
_diffrn_reflns_av_sigmaI/netI    0.0777
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         1.38
_diffrn_reflns_theta_max         27.52
_reflns_number_total             13409
_reflns_number_gt                7637
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker APEXII'
_computing_cell_refinement       'Bruker APEXII'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0810P)²+34.1308P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         13409
_refine_ls_number_parameters     667
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.1487
_refine_ls_R_factor_gt           0.0825
_refine_ls_wR_factor_ref         0.2502
_refine_ls_wR_factor_gt          0.2105
_refine_ls_goodness_of_fit_ref   1.003
_refine_ls_restrained_S_all      1.002
_refine_ls_shift/su_max          0.052
_refine_ls_shift/su_mean         0.002

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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.28417(3) 0.79345(2) 0.29819(2) 0.03529(10) Uani 1 1 d . . .
Br1 Br 0.14803(9) 0.66026(6) 0.31587(5) 0.0976(3) Uani 1 1 d . . .
P1 P 0.09375(11) 0.82743(8) 0.23999(7) 0.0357(3) Uani 1 1 d . . .
C1 C 0.4567(5) 0.9069(4) 0.3349(3) 0.0472(15) Uani 1 1 d . . .
C2 C 0.5060(5) 0.8270(4) 0.3381(3) 0.0490(16) Uani 1 1 d . . .
C3 C 0.4518(5) 0.7928(4) 0.3898(3) 0.0530(17) Uani 1 1 d . . .
C4 C 0.3753(5) 0.8540(4) 0.4228(3) 0.0503(16) Uani 1 1 d . . .
C5 C 0.3806(5) 0.9249(4) 0.3913(3) 0.0504(16) Uani 1 1 d . . .
C6 C 0.5098(6) 0.9708(4) 0.2967(4) 0.064(2) Uani 1 1 d . . .
H6A H 0.5880 1.0125 0.3293 0.096 Uiso 1 1 calc R . .
H6B H 0.4432 1.0035 0.2833 0.096 Uiso 1 1 calc R . .
H6C H 0.5323 0.9377 0.2529 0.096 Uiso 1 1 calc R . .
C7 C 0.6000(5) 0.7895(4) 0.2947(4) 0.064(2) Uani 1 1 d . . .
H7A H 0.6902 0.8140 0.3231 0.095 Uiso 1 1 calc R . .
H7B H 0.5883 0.8053 0.2493 0.095 Uiso 1 1 calc R . .
H7C H 0.5818 0.7249 0.2838 0.095 Uiso 1 1 calc R . .
C8 C 0.4785(7) 0.7097(4) 0.4115(4) 0.075(2) Uani 1 1 d . . .
H8A H 0.5547 0.7267 0.4527 0.113 Uiso 1 1 calc R . .
H8B H 0.4957 0.6672 0.3704 0.113 Uiso 1 1 calc R . .
H8C H 0.4021 0.6826 0.4253 0.113 Uiso 1 1 calc R . .
C9 C 0.3087(7) 0.8421(5) 0.4842(3) 0.076(2) Uani 1 1 d . . .
H9A H 0.3688 0.8737 0.5313 0.114 Uiso 1 1 calc R . .
H9B H 0.2860 0.7790 0.4802 0.114 Uiso 1 1 calc R . .
H9C H 0.2291 0.8660 0.4800 0.114 Uiso 1 1 calc R . .
C10 C 0.3324(6) 1.0100(4) 0.4155(4) 0.068(2) Uani 1 1 d . . .
H10A H 0.3982 1.0520 0.4566 0.101 Uiso 1 1 calc R . .
H10B H 0.2504 0.9969 0.4302 0.101 Uiso 1 1 calc R . .
H10C H 0.3175 1.0358 0.3753 0.101 Uiso 1 1 calc R . .
C11 C 0.3049(4) 0.7278(3) 0.1944(3) 0.0397(13) Uani 1 1 d . . .
C12 C 0.3351(5) 0.7732(4) 0.1452(3) 0.0435(14) Uani 1 1 d . . .
H12A H 0.3405 0.8352 0.1576 0.052 Uiso 1 1 calc R . .
C13 C 0.3577(6) 0.7290(4) 0.0775(3) 0.0572(18) Uani 1 1 d . . .
H13A H 0.3775 0.7619 0.0455 0.069 Uiso 1 1 calc R . .
C14 C 0.3513(6) 0.6385(4) 0.0573(3) 0.0609(19) Uani 1 1 d . . .
H14A H 0.3651 0.6091 0.0117 0.073 Uiso 1 1 calc R . .
C15 C 0.3246(5) 0.5917(4) 0.1051(4) 0.0612(19) Uani 1 1 d . . .
H15A H 0.3212 0.5298 0.0919 0.073 Uiso 1 1 calc R . .
C16 C 0.3017(5) 0.6346(4) 0.1743(3) 0.0505(16) Uani 1 1 d . . .
H16A H 0.2846 0.6014 0.2065 0.061 Uiso 1 1 calc R . .
C17 C 0.1138(5) 0.8984(3) 0.1797(3) 0.0413(13) Uani 1 1 d . . .
C18 C 0.0650(5) 0.8673(4) 0.1039(3) 0.0516(16) Uani 1 1 d . . .
H18A H 0.0133 0.8092 0.0824 0.062 Uiso 1 1 calc R . .
C19 C 0.0920(7) 0.9218(4) 0.0589(3) 0.070(2) Uani 1 1 d . . .
H19A H 0.0589 0.8998 0.0079 0.084 Uiso 1 1 calc R . .
C20 C 0.1664(7) 1.0065(4) 0.0899(4) 0.075(2) Uani 1 1 d . . .
H20A H 0.1841 1.0429 0.0601 0.090 Uiso 1 1 calc R . .
C21 C 0.2157(7) 1.0389(4) 0.1645(4) 0.074(2) Uani 1 1 d . . .
H21A H 0.2647 1.0978 0.1854 0.088 Uiso 1 1 calc R . .
C22 C 0.1939(6) 0.9856(4) 0.2093(3) 0.0576(17) Uani 1 1 d . . .
H22A H 0.2326 1.0075 0.2598 0.069 Uiso 1 1 calc R . .
C23 C -0.0451(4) 0.7369(3) 0.1802(2) 0.0367(12) Uani 1 1 d . . .
C24 C -0.1758(5) 0.7503(4) 0.1739(3) 0.0507(16) Uani 1 1 d . . .
H24A H -0.1905 0.8036 0.2029 0.061 Uiso 1 1 calc R . .
C25 C -0.2824(5) 0.6875(4) 0.1266(3) 0.0604(19) Uani 1 1 d . . .
H25A H -0.3681 0.6985 0.1229 0.072 Uiso 1 1 calc R . .
C26 C -0.2622(6) 0.6079(4) 0.0845(3) 0.0601(19) Uani 1 1 d . . .
H26A H -0.3343 0.5645 0.0523 0.072 Uiso 1 1 calc R . .
C27 C -0.1360(6) 0.5925(4) 0.0898(3) 0.0554(18) Uani 1 1 d . . .
H27A H -0.1224 0.5389 0.0607 0.067 Uiso 1 1 calc R . .
C28 C -0.0284(5) 0.6561(4) 0.1382(3) 0.0481(16) Uani 1 1 d . . .
H28A H 0.0567 0.6438 0.1423 0.058 Uiso 1 1 calc R . .
C29 C 0.0131(5) 0.8903(3) 0.3075(3) 0.0444(15) Uani 1 1 d . . .
C30 C -0.0046(5) 0.8567(4) 0.3656(3) 0.0561(17) Uani 1 1 d . . .
H30A H 0.0269 0.8054 0.3701 0.067 Uiso 1 1 calc R . .
C31 C -0.0685(6) 0.8986(5) 0.4171(3) 0.074(2) Uani 1 1 d . . .
H31A H -0.0790 0.8765 0.4566 0.089 Uiso 1 1 calc R . .
C32 C -0.1156(7) 0.9723(5) 0.4094(4) 0.079(2) Uani 1 1 d . . .
H32A H -0.1587 1.0005 0.4441 0.095 Uiso 1 1 calc R . .
C33 C -0.1016(7) 1.0063(4) 0.3524(4) 0.074(2) Uani 1 1 d . . .
H33A H -0.1354 1.0566 0.3476 0.089 Uiso 1 1 calc R . .
C34 C -0.0364(6) 0.9648(4) 0.3017(4) 0.0597(18) Uani 1 1 d . . .
H34A H -0.0258 0.9879 0.2628 0.072 Uiso 1 1 calc R . .
Rh2 Rh 0.64523(4) 0.34322(3) 0.28816(2) 0.04522(12) Uani 1 1 d . . .
Br2 Br 0.54188(10) 0.21940(6) 0.33224(5) 0.1046(3) Uani 1 1 d . . .
P2 P 0.79234(14) 0.25931(9) 0.24277(8) 0.0460(4) Uani 1 1 d . . .
C35 C 0.7904(6) 0.4718(4) 0.3663(4) 0.0614(19) Uani 1 1 d . . .
C36 C 0.6948(7) 0.4444(4) 0.4020(4) 0.067(2) Uani 1 1 d . . .
C37 C 0.5654(7) 0.4452(4) 0.3606(4) 0.076(2) Uani 1 1 d . . .
C38 C 0.5831(7) 0.4746(4) 0.2998(4) 0.071(2) Uani 1 1 d . . .
C39 C 0.7218(7) 0.4857(4) 0.2978(4) 0.069(2) Uani 1 1 d . . .
C40 C 0.9368(7) 0.4962(5) 0.3957(4) 0.075(2) Uani 1 1 d . . .
H40A H 0.9618 0.5568 0.4284 0.112 Uiso 1 1 calc R . .
H40B H 0.9799 0.4924 0.3554 0.112 Uiso 1 1 calc R . .
H40C H 0.9639 0.4553 0.4222 0.112 Uiso 1 1 calc R . .
C41 C 0.7202(9) 0.4256(6) 0.4754(4) 0.099(3) Uani 1 1 d . . .
H41A H 0.7382 0.4813 0.5144 0.148 Uiso 1 1 calc R . .
H41B H 0.7956 0.3976 0.4803 0.148 Uiso 1 1 calc R . .
H41C H 0.6430 0.3860 0.4783 0.148 Uiso 1 1 calc R . .
C42 C 0.4379(8) 0.4278(6) 0.3833(5) 0.118(4) Uani 1 1 d . . .
H42A H 0.4268 0.4825 0.4157 0.177 Uiso 1 1 calc R . .
H42B H 0.4395 0.3825 0.4086 0.177 Uiso 1 1 calc R . .
H42C H 0.3649 0.4071 0.3402 0.177 Uiso 1 1 calc R . .
C43 C 0.4758(8) 0.4951(5) 0.2433(6) 0.117(4) Uani 1 1 d . . .
H43A H 0.4662 0.5562 0.2619 0.175 Uiso 1 1 calc R . .
H43B H 0.3922 0.4545 0.2355 0.175 Uiso 1 1 calc R . .
H43C H 0.5021 0.4875 0.1972 0.175 Uiso 1 1 calc R . .
C44 C 0.7841(8) 0.5275(4) 0.2485(4) 0.091(3) Uani 1 1 d . . .
H44A H 0.8077 0.5919 0.2701 0.137 Uiso 1 1 calc R . .
H44B H 0.7222 0.5129 0.2013 0.137 Uiso 1 1 calc R . .
H44C H 0.8629 0.5050 0.2420 0.137 Uiso 1 1 calc R . .
C45 C 0.5063(5) 0.2983(4) 0.1882(3) 0.0517(16) Uani 1 1 d . . .
C46 C 0.3719(6) 0.2700(4) 0.1873(3) 0.0572(17) Uani 1 1 d . . .
H46A H 0.3508 0.2612 0.2302 0.069 Uiso 1 1 calc R . .
C47 C 0.2708(6) 0.2549(4) 0.1267(4) 0.065(2) Uani 1 1 d . . .
H47A H 0.1829 0.2377 0.1293 0.078 Uiso 1 1 calc R . .
C48 C 0.2971(7) 0.2646(5) 0.0632(4) 0.075(2) Uani 1 1 d . . .
H48A H 0.2281 0.2523 0.0213 0.089 Uiso 1 1 calc R . .
C49 C 0.4272(7) 0.2930(5) 0.0608(4) 0.078(2) Uani 1 1 d . . .
H49A H 0.4464 0.3016 0.0175 0.093 Uiso 1 1 calc R . .
C50 C 0.5309(6) 0.3091(5) 0.1237(3) 0.068(2) Uani 1 1 d . . .
H50A H 0.6185 0.3275 0.1213 0.081 Uiso 1 1 calc R . .
C51 C 0.8874(5) 0.3062(3) 0.1850(3) 0.0492(15) Uani 1 1 d . . .
C52 C 0.9925(7) 0.3790(4) 0.2184(4) 0.074(2) Uani 1 1 d . . .
H52A H 1.0198 0.4009 0.2697 0.089 Uiso 1 1 calc R . .
C53 C 1.0591(7) 0.4203(5) 0.1736(4) 0.088(2) Uani 1 1 d . . .
H53A H 1.1277 0.4710 0.1959 0.105 Uiso 1 1 calc R . .
C54 C 1.0236(6) 0.3866(4) 0.0985(4) 0.0715(19) Uani 1 1 d . . .
H54A H 1.0688 0.4132 0.0696 0.086 Uiso 1 1 calc R . .
C55 C 0.9236(6) 0.3153(5) 0.0670(3) 0.0688(19) Uani 1 1 d . . .
H55A H 0.8988 0.2931 0.0156 0.083 Uiso 1 1 calc R . .
C56 C 0.8540(6) 0.2722(4) 0.1086(3) 0.0580(18) Uani 1 1 d . . .
H56A H 0.7862 0.2212 0.0851 0.070 Uiso 1 1 calc R . .
C57 C 0.7308(6) 0.1397(4) 0.1864(3) 0.0532(17) Uani 1 1 d . . .
C58 C 0.5968(6) 0.1029(4) 0.1613(3) 0.0615(19) Uani 1 1 d . . .
H58A H 0.5350 0.1370 0.1747 0.074 Uiso 1 1 calc R . .
C59 C 0.5542(8) 0.0148(5) 0.1160(5) 0.086(3) Uani 1 1 d . . .
H59A H 0.4632 -0.0099 0.0993 0.103 Uiso 1 1 calc R . .
C60 C 0.6415(8) -0.0361(4) 0.0955(5) 0.088(3) Uani 1 1 d . . .
H60A H 0.6110 -0.0950 0.0646 0.105 Uiso 1 1 calc R . .
C61 C 0.7747(8) -0.0002(5) 0.1205(5) 0.093(3) Uani 1 1 d . . .
H61A H 0.8358 -0.0347 0.1066 0.112 Uiso 1 1 calc R . .
C62 C 0.8186(7) 0.0865(5) 0.1661(4) 0.082(3) Uani 1 1 d . . .
H62A H 0.9098 0.1100 0.1837 0.099 Uiso 1 1 calc R . .
C63 C 0.9254(5) 0.2509(4) 0.3178(3) 0.0515(16) Uani 1 1 d D . .
C64 C 1.0534(6) 0.2406(5) 0.3084(4) 0.078(2) Uani 1 1 d D . .
H64A H 1.0730 0.2375 0.2627 0.093 Uiso 1 1 calc R . .
C65 C 1.1500(7) 0.2352(5) 0.3657(4) 0.092(3) Uani 1 1 d D . .
H65A H 1.2327 0.2256 0.3581 0.110 Uiso 1 1 calc R . .
C66 C 1.1231(7) 0.2439(5) 0.4341(4) 0.093(3) Uani 1 1 d D . .
H66A H 1.1896 0.2440 0.4738 0.112 Uiso 1 1 calc R . .
C67 C 0.9983(7) 0.2526(5) 0.4439(4) 0.078(2) Uani 1 1 d D . .
H67A H 0.9795 0.2558 0.4898 0.093 Uiso 1 1 calc R . .
C68 C 0.9000(6) 0.2568(4) 0.3863(3) 0.0610(18) Uani 1 1 d D . .
H68A H 0.8163 0.2636 0.3939 0.073 Uiso 1 1 calc R . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Rh1 C11 2.067(5) . ?
Rh1 C1 2.192(5) . ?
Rh1 C2 2.232(5) . ?
Rh1 C3 2.242(5) . ?
Rh1 C4 2.292(5) . ?
Rh1 C5 2.294(5) . ?
Rh1 P1 2.2983(13) . ?
Rh1 Br1 2.4778(10) . ?
P1 C17 1.820(6) . ?
P1 C23 1.830(4) . ?
P1 C29 1.837(6) . ?
C1 C2 1.435(8) . ?
C1 C5 1.457(8) . ?
C1 C6 1.489(9) . ?
C2 C3 1.411(9) . ?
C2 C7 1.496(8) . ?
C3 C4 1.439(8) . ?
C3 C8 1.516(9) . ?
C4 C5 1.396(9) . ?
C4 C9 1.516(9) . ?
C5 C10 1.491(9) . ?
C6 H6A 0.9600 . ?
C6 H6B 0.9600 . ?
C6 H6C 0.9600 . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C11 C12 1.375(8) . ?
C11 C16 1.406(7) . ?
C12 C13 1.392(8) . ?
C12 H12A 0.9300 . ?
C13 C14 1.360(9) . ?
C13 H13A 0.9300 . ?
C14 C15 1.358(10) . ?
C14 H14A 0.9300 . ?
C15 C16 1.412(8) . ?
C15 H15A 0.9300 . ?
C16 H16A 0.9300 . ?
C17 C18 1.380(7) . ?
C17 C22 1.403(7) . ?
C18 C19 1.400(9) . ?
C18 H18A 0.9300 . ?
C19 C20 1.352(9) . ?
C19 H19A 0.9300 . ?
C20 C21 1.362(9) . ?
C20 H20A 0.9300 . ?
C21 C22 1.370(10) . ?
C21 H21A 0.9300 . ?
C22 H22A 0.9300 . ?
C23 C28 1.372(7) . ?
C23 C24 1.400(7) . ?
C24 C25 1.364(7) . ?
C24 H24A 0.9300 . ?
C25 C26 1.372(9) . ?
C25 H25A 0.9300 . ?
C26 C27 1.364(9) . ?
C26 H26A 0.9300 . ?
C27 C28 1.382(7) . ?
C27 H27A 0.9300 . ?
C28 H28A 0.9300 . ?
C29 C34 1.368(8) . ?
C29 C30 1.385(9) . ?
C30 C31 1.380(9) . ?
C30 H30A 0.9300 . ?
C31 C32 1.355(11) . ?
C31 H31A 0.9300 . ?
C32 C33 1.359(11) . ?
C32 H32A 0.9300 . ?
C33 C34 1.375(10) . ?
C33 H33A 0.9300 . ?
C34 H34A 0.9300 . ?
Rh2 C45 2.060(5) . ?
Rh2 C39 2.202(6) . ?
Rh2 C37 2.211(7) . ?
Rh2 C38 2.221(6) . ?
Rh2 C36 2.264(6) . ?
Rh2 C35 2.298(5) . ?
Rh2 P2 2.3194(16) . ?
Rh2 Br2 2.4911(11) . ?
P2 C51 1.836(6) . ?
P2 C57 1.852(5) . ?
P2 C63 1.853(6) . ?
C35 C36 1.390(10) . ?
C35 C39 1.462(10) . ?
C35 C40 1.479(9) . ?
C36 C37 1.438(10) . ?
C36 C41 1.498(11) . ?
C37 C38 1.396(11) . ?
C37 C42 1.485(11) . ?
C38 C39 1.441(10) . ?
C38 C43 1.541(11) . ?
C39 C44 1.476(11) . ?
C40 H40A 0.9600 . ?
C40 H40B 0.9600 . ?
C40 H40C 0.9600 . ?
C41 H41A 0.9600 . ?
C41 H41B 0.9600 . ?
C41 H41C 0.9600 . ?
C42 H42A 0.9600 . ?
C42 H42B 0.9600 . ?
C42 H42C 0.9600 . ?
C43 H43A 0.9600 . ?
C43 H43B 0.9600 . ?
C43 H43C 0.9600 . ?
C44 H44A 0.9600 . ?
C44 H44B 0.9600 . ?
C44 H44C 0.9600 . ?
C45 C50 1.360(9) . ?
C45 C46 1.401(8) . ?
C46 C47 1.361(8) . ?
C46 H46A 0.9300 . ?
C47 C48 1.343(10) . ?
C47 H47A 0.9300 . ?
C48 C49 1.377(10) . ?
C48 H48A 0.9300 . ?
C49 C50 1.404(9) . ?
C49 H49A 0.9300 . ?
C50 H50A 0.9300 . ?
C51 C52 1.377(8) . ?
C51 C56 1.384(8) . ?
C52 C53 1.422(11) . ?
C52 H52A 0.9300 . ?
C53 C54 1.361(10) . ?
C53 H53A 0.9300 . ?
C54 C55 1.329(8) . ?
C54 H54A 0.9300 . ?
C55 C56 1.406(9) . ?
C55 H55A 0.9300 . ?
C56 H56A 0.9300 . ?
C57 C58 1.370(8) . ?
C57 C62 1.374(10) . ?
C58 C59 1.384(8) . ?
C58 H58A 0.9300 . ?
C59 C60 1.348(11) . ?
C59 H59A 0.9300 . ?
C60 C61 1.361(11) . ?
C60 H60A 0.9300 . ?
C61 C62 1.370(9) . ?
C61 H61A 0.9300 . ?
C62 H62A 0.9300 . ?
C63 C68 1.375(8) . ?
C63 C64 1.409(8) . ?
C64 C65 1.378(9) . ?
C64 H64A 0.9300 . ?
C65 C66 1.375(11) . ?
C65 H65A 0.9300 . ?
C66 C67 1.373(10) . ?
C66 H66A 0.9300 . ?
C67 C68 1.385(9) . ?
C67 H67A 0.9300 . ?
C68 H68A 0.9300 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C11 Rh1 C1 101.2(2) . . ?
C11 Rh1 C2 88.97(18) . . ?
C1 Rh1 C2 37.8(2) . . ?
C11 Rh1 C3 113.0(2) . . ?
C1 Rh1 C3 62.4(2) . . ?
C2 Rh1 C3 36.8(2) . . ?
C11 Rh1 C4 149.1(2) . . ?
C1 Rh1 C4 61.9(2) . . ?
C2 Rh1 C4 61.5(2) . . ?
C3 Rh1 C4 37.0(2) . . ?
C11 Rh1 C5 138.6(2) . . ?
C1 Rh1 C5 37.8(2) . . ?
C2 Rh1 C5 61.9(2) . . ?
C3 Rh1 C5 60.9(2) . . ?
C4 Rh1 C5 35.4(2) . . ?
C11 Rh1 P1 87.50(14) . . ?
C1 Rh1 P1 113.07(16) . . ?
C2 Rh1 P1 148.85(17) . . ?
C3 Rh1 P1 159.35(16) . . ?
C4 Rh1 P1 122.38(16) . . ?
C5 Rh1 P1 102.49(15) . . ?
C11 Rh1 Br1 95.86(14) . . ?
C1 Rh1 Br1 151.59(16) . . ?
C2 Rh1 Br1 121.09(17) . . ?
C3 Rh1 Br1 90.06(16) . . ?
C4 Rh1 Br1 92.26(15) . . ?
C5 Rh1 Br1 123.80(16) . . ?
P1 Rh1 Br1 90.06(4) . . ?
C17 P1 C23 100.7(2) . . ?
C17 P1 C29 103.6(3) . . ?
C23 P1 C29 102.0(2) . . ?
C17 P1 Rh1 116.81(16) . . ?
C23 P1 Rh1 120.23(17) . . ?
C29 P1 Rh1 111.17(17) . . ?
C2 C1 C5 107.3(5) . . ?
C2 C1 C6 123.4(5) . . ?
C5 C1 C6 127.0(5) . . ?
C2 C1 Rh1 72.6(3) . . ?
C5 C1 Rh1 74.9(3) . . ?
C6 C1 Rh1 131.6(4) . . ?
C3 C2 C1 107.7(5) . . ?
C3 C2 C7 127.3(6) . . ?
C1 C2 C7 125.1(6) . . ?
C3 C2 Rh1 72.0(3) . . ?
C1 C2 Rh1 69.6(3) . . ?
C7 C2 Rh1 124.7(3) . . ?
C2 C3 C4 108.6(5) . . ?
C2 C3 C8 125.8(6) . . ?
C4 C3 C8 125.5(6) . . ?
C2 C3 Rh1 71.2(3) . . ?
C4 C3 Rh1 73.4(3) . . ?
C8 C3 Rh1 125.0(4) . . ?
C5 C4 C3 108.4(5) . . ?
C5 C4 C9 128.0(6) . . ?
C3 C4 C9 123.6(6) . . ?
C5 C4 Rh1 72.4(3) . . ?
C3 C4 Rh1 69.6(3) . . ?
C9 C4 Rh1 126.2(4) . . ?
C4 C5 C1 107.9(5) . . ?
C4 C5 C10 127.2(6) . . ?
C1 C5 C10 124.5(6) . . ?
C4 C5 Rh1 72.2(3) . . ?
C1 C5 Rh1 67.3(3) . . ?
C10 C5 Rh1 131.1(4) . . ?
C1 C6 H6A 109.5 . . ?
C1 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C1 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C2 C7 H7A 109.5 . . ?
C2 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C2 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C3 C8 H8A 109.5 . . ?
C3 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C3 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C4 C9 H9A 109.5 . . ?
C4 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C4 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C5 C10 H10A 109.5 . . ?
C5 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C5 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C12 C11 C16 117.1(5) . . ?
C12 C11 Rh1 122.4(4) . . ?
C16 C11 Rh1 120.2(4) . . ?
C11 C12 C13 122.0(5) . . ?
C11 C12 H12A 119.0 . . ?
C13 C12 H12A 119.0 . . ?
C14 C13 C12 120.9(6) . . ?
C14 C13 H13A 119.5 . . ?
C12 C13 H13A 119.5 . . ?
C15 C14 C13 118.8(6) . . ?
C15 C14 H14A 120.6 . . ?
C13 C14 H14A 120.6 . . ?
C14 C15 C16 121.6(6) . . ?
C14 C15 H15A 119.2 . . ?
C16 C15 H15A 119.2 . . ?
C11 C16 C15 119.6(6) . . ?
C11 C16 H16A 120.2 . . ?
C15 C16 H16A 120.2 . . ?
C18 C17 C22 117.3(5) . . ?
C18 C17 P1 122.9(4) . . ?
C22 C17 P1 119.4(4) . . ?
C17 C18 C19 121.1(5) . . ?
C17 C18 H18A 119.5 . . ?
C19 C18 H18A 119.5 . . ?
C20 C19 C18 119.8(6) . . ?
C20 C19 H19A 120.1 . . ?
C18 C19 H19A 120.1 . . ?
C19 C20 C21 120.3(7) . . ?
C19 C20 H20A 119.8 . . ?
C21 C20 H20A 119.8 . . ?
C20 C21 C22 120.8(6) . . ?
C20 C21 H21A 119.6 . . ?
C22 C21 H21A 119.6 . . ?
C21 C22 C17 120.6(5) . . ?
C21 C22 H22A 119.7 . . ?
C17 C22 H22A 119.7 . . ?
C28 C23 C24 117.1(4) . . ?
C28 C23 P1 123.4(4) . . ?
C24 C23 P1 119.5(4) . . ?
C25 C24 C23 122.0(5) . . ?
C25 C24 H24A 119.0 . . ?
C23 C24 H24A 119.0 . . ?
C24 C25 C26 119.5(5) . . ?
C24 C25 H25A 120.2 . . ?
C26 C25 H25A 120.2 . . ?
C27 C26 C25 119.9(5) . . ?
C27 C26 H26A 120.1 . . ?
C25 C26 H26A 120.1 . . ?
C26 C27 C28 120.5(5) . . ?
C26 C27 H27A 119.8 . . ?
C28 C27 H27A 119.8 . . ?
C23 C28 C27 121.0(5) . . ?
C23 C28 H28A 119.5 . . ?
C27 C28 H28A 119.5 . . ?
C34 C29 C30 118.4(6) . . ?
C34 C29 P1 124.3(5) . . ?
C30 C29 P1 117.2(4) . . ?
C31 C30 C29 120.5(7) . . ?
C31 C30 H30A 119.7 . . ?
C29 C30 H30A 119.7 . . ?
C32 C31 C30 119.1(7) . . ?
C32 C31 H31A 120.4 . . ?
C30 C31 H31A 120.4 . . ?
C31 C32 C33 121.8(7) . . ?
C31 C32 H32A 119.1 . . ?
C33 C32 H32A 119.1 . . ?
C32 C33 C34 118.8(7) . . ?
C32 C33 H33A 120.6 . . ?
C34 C33 H33A 120.6 . . ?
C29 C34 C33 121.4(7) . . ?
C29 C34 H34A 119.3 . . ?
C33 C34 H34A 119.3 . . ?
C45 Rh2 C39 103.2(2) . . ?
C45 Rh2 C37 105.5(2) . . ?
C39 Rh2 C37 63.2(3) . . ?
C45 Rh2 C38 85.9(2) . . ?
C39 Rh2 C38 38.0(3) . . ?
C37 Rh2 C38 36.7(3) . . ?
C45 Rh2 C36 142.8(2) . . ?
C39 Rh2 C36 62.4(3) . . ?
C37 Rh2 C36 37.5(3) . . ?
C38 Rh2 C36 61.4(3) . . ?
C45 Rh2 C35 141.0(2) . . ?
C39 Rh2 C35 37.9(2) . . ?
C37 Rh2 C35 61.3(2) . . ?
C38 Rh2 C35 61.5(2) . . ?
C36 Rh2 C35 35.5(2) . . ?
C45 Rh2 P2 92.84(17) . . ?
C39 Rh2 P2 108.2(2) . . ?
C37 Rh2 P2 161.01(18) . . ?
C38 Rh2 P2 143.5(2) . . ?
C36 Rh2 P2 123.84(19) . . ?
C35 Rh2 P2 101.15(18) . . ?
C45 Rh2 Br2 92.33(17) . . ?
C39 Rh2 Br2 153.8(2) . . ?
C37 Rh2 Br2 92.5(2) . . ?
C38 Rh2 Br2 124.7(2) . . ?
C36 Rh2 Br2 92.58(19) . . ?
C35 Rh2 Br2 123.02(18) . . ?
P2 Rh2 Br2 91.77(5) . . ?
C51 P2 C57 102.2(3) . . ?
C51 P2 C63 102.8(3) . . ?
C57 P2 C63 102.0(3) . . ?
C51 P2 Rh2 115.39(19) . . ?
C57 P2 Rh2 120.1(2) . . ?
C63 P2 Rh2 112.17(19) . . ?
C36 C35 C39 108.3(6) . . ?
C36 C35 C40 127.1(6) . . ?
C39 C35 C40 124.1(6) . . ?
C36 C35 Rh2 70.9(3) . . ?
C39 C35 Rh2 67.5(3) . . ?
C40 C35 Rh2 133.7(5) . . ?
C35 C36 C37 108.7(7) . . ?
C35 C36 C41 126.7(7) . . ?
C37 C36 C41 124.4(7) . . ?
C35 C36 Rh2 73.6(4) . . ?
C37 C36 Rh2 69.3(4) . . ?
C41 C36 Rh2 127.5(5) . . ?
C38 C37 C36 107.8(6) . . ?
C38 C37 C42 126.2(7) . . ?
C36 C37 C42 125.7(8) . . ?
C38 C37 Rh2 72.0(4) . . ?
C36 C37 Rh2 73.3(4) . . ?
C42 C37 Rh2 125.5(5) . . ?
C37 C38 C39 109.2(6) . . ?
C37 C38 C43 127.2(7) . . ?
C39 C38 C43 123.5(8) . . ?
C37 C38 Rh2 71.2(4) . . ?
C39 C38 Rh2 70.3(4) . . ?
C43 C38 Rh2 125.8(5) . . ?
C38 C39 C35 105.5(7) . . ?
C38 C39 C44 125.7(7) . . ?
C35 C39 C44 126.6(6) . . ?
C38 C39 Rh2 71.7(4) . . ?
C35 C39 Rh2 74.6(4) . . ?
C44 C39 Rh2 131.2(5) . . ?
C35 C40 H40A 109.5 . . ?
C35 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
C35 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C36 C41 H41A 109.5 . . ?
C36 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
C36 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C37 C42 H42A 109.5 . . ?
C37 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
C37 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C38 C43 H43A 109.5 . . ?
C38 C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
C38 C43 H43C 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C39 C44 H44A 109.5 . . ?
C39 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
C39 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C50 C45 C46 115.7(5) . . ?
C50 C45 Rh2 124.2(4) . . ?
C46 C45 Rh2 119.0(4) . . ?
C47 C46 C45 123.0(6) . . ?
C47 C46 H46A 118.5 . . ?
C45 C46 H46A 118.5 . . ?
C48 C47 C46 120.4(6) . . ?
C48 C47 H47A 119.8 . . ?
C46 C47 H47A 119.8 . . ?
C47 C48 C49 119.3(6) . . ?
C47 C48 H48A 120.4 . . ?
C49 C48 H48A 120.4 . . ?
C48 C49 C50 119.9(7) . . ?
C48 C49 H49A 120.0 . . ?
C50 C49 H49A 120.0 . . ?
C45 C50 C49 121.6(6) . . ?
C45 C50 H50A 119.2 . . ?
C49 C50 H50A 119.2 . . ?
C52 C51 C56 118.9(6) . . ?
C52 C51 P2 119.2(5) . . ?
C56 C51 P2 121.9(4) . . ?
C51 C52 C53 119.3(6) . . ?
C51 C52 H52A 120.3 . . ?
C53 C52 H52A 120.3 . . ?
C54 C53 C52 120.8(6) . . ?
C54 C53 H53A 119.6 . . ?
C52 C53 H53A 119.6 . . ?
C55 C54 C53 119.3(7) . . ?
C55 C54 H54A 120.4 . . ?
C53 C54 H54A 120.4 . . ?
C54 C55 C56 122.2(6) . . ?
C54 C55 H55A 118.9 . . ?
C56 C55 H55A 118.9 . . ?
C51 C56 C55 119.4(5) . . ?
C51 C56 H56A 120.3 . . ?
C55 C56 H56A 120.3 . . ?
C58 C57 C62 118.2(5) . . ?
C58 C57 P2 121.1(5) . . ?
C62 C57 P2 120.6(4) . . ?
C57 C58 C59 119.6(6) . . ?
C57 C58 H58A 120.2 . . ?
C59 C58 H58A 120.2 . . ?
C60 C59 C58 121.5(7) . . ?
C60 C59 H59A 119.2 . . ?
C58 C59 H59A 119.2 . . ?
C59 C60 C61 119.2(6) . . ?
C59 C60 H60A 120.4 . . ?
C61 C60 H60A 120.4 . . ?
C60 C61 C62 120.0(7) . . ?
C60 C61 H61A 120.0 . . ?
C62 C61 H61A 120.0 . . ?
C61 C62 C57 121.4(6) . . ?
C61 C62 H62A 119.3 . . ?
C57 C62 H62A 119.3 . . ?
C68 C63 C64 118.2(6) . . ?
C68 C63 P2 119.1(4) . . ?
C64 C63 P2 122.8(5) . . ?
C65 C64 C63 121.0(7) . . ?
C65 C64 H64A 119.5 . . ?
C63 C64 H64A 119.5 . . ?
C66 C65 C64 119.5(7) . . ?
C66 C65 H65A 120.2 . . ?
C64 C65 H65A 120.2 . . ?
C67 C66 C65 120.0(7) . . ?
C67 C66 H66A 120.0 . . ?
C65 C66 H66A 120.0 . . ?
C66 C67 C68 120.7(7) . . ?
C66 C67 H67A 119.6 . . ?
C68 C67 H67A 119.6 . . ?
C63 C68 C67 120.4(6) . . ?
C63 C68 H68A 119.8 . . ?
C67 C68 H68A 119.8 . . ?

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
C11 Rh1 P1 C17 -62.8(2) . . . . ?
C1 Rh1 P1 C17 38.3(2) . . . . ?
C2 Rh1 P1 C17 21.0(3) . . . . ?
C3 Rh1 P1 C17 111.0(5) . . . . ?
C4 Rh1 P1 C17 108.6(2) . . . . ?
C5 Rh1 P1 C17 76.6(2) . . . . ?
Br1 Rh1 P1 C17 -158.67(18) . . . . ?
C11 Rh1 P1 C23 59.6(2) . . . . ?
C1 Rh1 P1 C23 160.7(2) . . . . ?
C2 Rh1 P1 C23 143.4(3) . . . . ?
C3 Rh1 P1 C23 -126.6(5) . . . . ?
C4 Rh1 P1 C23 -129.0(3) . . . . ?
C5 Rh1 P1 C23 -161.0(2) . . . . ?
Br1 Rh1 P1 C23 -36.3(2) . . . . ?
C11 Rh1 P1 C29 178.6(2) . . . . ?
C1 Rh1 P1 C29 -80.3(2) . . . . ?
C2 Rh1 P1 C29 -97.6(3) . . . . ?
C3 Rh1 P1 C29 -7.6(5) . . . . ?
C4 Rh1 P1 C29 -10.0(3) . . . . ?
C5 Rh1 P1 C29 -42.1(2) . . . . ?
Br1 Rh1 P1 C29 82.70(19) . . . . ?
C11 Rh1 C1 C2 -73.5(3) . . . . ?
C3 Rh1 C1 C2 36.8(3) . . . . ?
C4 Rh1 C1 C2 78.9(4) . . . . ?
C5 Rh1 C1 C2 114.0(5) . . . . ?
P1 Rh1 C1 C2 -165.5(3) . . . . ?
Br1 Rh1 C1 C2 52.3(5) . . . . ?
C11 Rh1 C1 C5 172.5(3) . . . . ?
C2 Rh1 C1 C5 -114.0(5) . . . . ?
C3 Rh1 C1 C5 -77.2(4) . . . . ?
C4 Rh1 C1 C5 -35.1(3) . . . . ?
P1 Rh1 C1 C5 80.5(3) . . . . ?
Br1 Rh1 C1 C5 -61.7(5) . . . . ?
C11 Rh1 C1 C6 46.1(6) . . . . ?
C2 Rh1 C1 C6 119.5(7) . . . . ?
C3 Rh1 C1 C6 156.3(6) . . . . ?
C4 Rh1 C1 C6 -161.6(6) . . . . ?
C5 Rh1 C1 C6 -126.5(7) . . . . ?
P1 Rh1 C1 C6 -46.0(6) . . . . ?
Br1 Rh1 C1 C6 171.9(4) . . . . ?
C5 C1 C2 C3 5.2(5) . . . . ?
C6 C1 C2 C3 168.9(4) . . . . ?
Rh1 C1 C2 C3 -62.3(3) . . . . ?
C5 C1 C2 C7 -173.9(4) . . . . ?
C6 C1 C2 C7 -10.1(7) . . . . ?
Rh1 C1 C2 C7 118.7(5) . . . . ?
C5 C1 C2 Rh1 67.5(3) . . . . ?
C6 C1 C2 Rh1 -128.8(5) . . . . ?
C11 Rh1 C2 C3 -132.6(4) . . . . ?
C1 Rh1 C2 C3 117.5(5) . . . . ?
C4 Rh1 C2 C3 37.6(3) . . . . ?
C5 Rh1 C2 C3 78.1(4) . . . . ?
P1 Rh1 C2 C3 143.9(3) . . . . ?
Br1 Rh1 C2 C3 -36.4(4) . . . . ?
C11 Rh1 C2 C1 109.9(3) . . . . ?
C3 Rh1 C2 C1 -117.5(5) . . . . ?
C4 Rh1 C2 C1 -79.9(4) . . . . ?
C5 Rh1 C2 C1 -39.4(3) . . . . ?
P1 Rh1 C2 C1 26.4(5) . . . . ?
Br1 Rh1 C2 C1 -153.9(3) . . . . ?
C11 Rh1 C2 C7 -9.3(6) . . . . ?
C1 Rh1 C2 C7 -119.2(7) . . . . ?
C3 Rh1 C2 C7 123.3(7) . . . . ?
C4 Rh1 C2 C7 160.9(6) . . . . ?
C5 Rh1 C2 C7 -158.6(6) . . . . ?
P1 Rh1 C2 C7 -92.8(6) . . . . ?
Br1 Rh1 C2 C7 86.9(6) . . . . ?
C1 C2 C3 C4 -3.7(5) . . . . ?
C7 C2 C3 C4 175.3(4) . . . . ?
Rh1 C2 C3 C4 -64.4(3) . . . . ?
C1 C2 C3 C8 -179.2(5) . . . . ?
C7 C2 C3 C8 -0.2(8) . . . . ?
Rh1 C2 C3 C8 120.1(5) . . . . ?
C1 C2 C3 Rh1 60.7(3) . . . . ?
C7 C2 C3 Rh1 -120.3(5) . . . . ?
C11 Rh1 C3 C2 53.1(4) . . . . ?
C1 Rh1 C3 C2 -37.9(3) . . . . ?
C4 Rh1 C3 C2 -116.9(5) . . . . ?
C5 Rh1 C3 C2 -81.0(4) . . . . ?
P1 Rh1 C3 C2 -120.2(4) . . . . ?
Br1 Rh1 C3 C2 149.4(3) . . . . ?
C11 Rh1 C3 C4 169.9(3) . . . . ?
C1 Rh1 C3 C4 79.0(4) . . . . ?
C2 Rh1 C3 C4 116.9(5) . . . . ?
C5 Rh1 C3 C4 35.8(3) . . . . ?
P1 Rh1 C3 C4 -3.4(7) . . . . ?
Br1 Rh1 C3 C4 -93.7(3) . . . . ?
C11 Rh1 C3 C8 -68.1(6) . . . . ?
C1 Rh1 C3 C8 -159.0(6) . . . . ?
C2 Rh1 C3 C8 -121.1(7) . . . . ?
C4 Rh1 C3 C8 122.0(7) . . . . ?
C5 Rh1 C3 C8 157.8(6) . . . . ?
P1 Rh1 C3 C8 118.7(5) . . . . ?
Br1 Rh1 C3 C8 28.3(5) . . . . ?
C2 C3 C4 C5 0.7(5) . . . . ?
C8 C3 C4 C5 176.2(5) . . . . ?
Rh1 C3 C4 C5 -62.3(3) . . . . ?
C2 C3 C4 C9 -176.3(5) . . . . ?
C8 C3 C4 C9 -0.8(8) . . . . ?
Rh1 C3 C4 C9 120.7(5) . . . . ?
C2 C3 C4 Rh1 63.0(3) . . . . ?
C8 C3 C4 Rh1 -121.5(5) . . . . ?
C11 Rh1 C4 C5 99.9(5) . . . . ?
C1 Rh1 C4 C5 37.5(3) . . . . ?
C2 Rh1 C4 C5 80.7(4) . . . . ?
C3 Rh1 C4 C5 118.1(5) . . . . ?
P1 Rh1 C4 C5 -63.3(4) . . . . ?
Br1 Rh1 C4 C5 -154.8(3) . . . . ?
C11 Rh1 C4 C3 -18.2(6) . . . . ?
C1 Rh1 C4 C3 -80.6(4) . . . . ?
C2 Rh1 C4 C3 -37.4(3) . . . . ?
C5 Rh1 C4 C3 -118.1(5) . . . . ?
P1 Rh1 C4 C3 178.6(3) . . . . ?
Br1 Rh1 C4 C3 87.1(3) . . . . ?
C11 Rh1 C4 C9 -135.5(6) . . . . ?
C1 Rh1 C4 C9 162.1(7) . . . . ?
C2 Rh1 C4 C9 -154.7(7) . . . . ?
C3 Rh1 C4 C9 -117.3(7) . . . . ?
C5 Rh1 C4 C9 124.6(7) . . . . ?
P1 Rh1 C4 C9 61.3(6) . . . . ?
Br1 Rh1 C4 C9 -30.2(6) . . . . ?
C3 C4 C5 C1 2.6(5) . . . . ?
C9 C4 C5 C1 179.4(5) . . . . ?
Rh1 C4 C5 C1 -58.0(3) . . . . ?
C3 C4 C5 C10 -170.8(5) . . . . ?
C9 C4 C5 C10 6.0(8) . . . . ?
Rh1 C4 C5 C10 128.6(5) . . . . ?
C3 C4 C5 Rh1 60.6(3) . . . . ?
C9 C4 C5 Rh1 -122.6(5) . . . . ?
C2 C1 C5 C4 -4.8(5) . . . . ?
C6 C1 C5 C4 -167.8(5) . . . . ?
Rh1 C1 C5 C4 61.1(3) . . . . ?
C2 C1 C5 C10 168.8(5) . . . . ?
C6 C1 C5 C10 5.8(8) . . . . ?
Rh1 C1 C5 C10 -125.3(5) . . . . ?
C2 C1 C5 Rh1 -65.9(3) . . . . ?
C6 C1 C5 Rh1 131.1(5) . . . . ?
C11 Rh1 C5 C4 -130.0(4) . . . . ?
C1 Rh1 C5 C4 -118.9(5) . . . . ?
C2 Rh1 C5 C4 -79.5(4) . . . . ?
C3 Rh1 C5 C4 -37.4(3) . . . . ?
P1 Rh1 C5 C4 129.4(3) . . . . ?
Br1 Rh1 C5 C4 30.8(4) . . . . ?
C11 Rh1 C5 C1 -11.1(5) . . . . ?
C2 Rh1 C5 C1 39.4(3) . . . . ?
C3 Rh1 C5 C1 81.5(4) . . . . ?
C4 Rh1 C5 C1 118.9(5) . . . . ?
P1 Rh1 C5 C1 -111.7(3) . . . . ?
Br1 Rh1 C5 C1 149.7(3) . . . . ?
C11 Rh1 C5 C10 105.7(6) . . . . ?
C1 Rh1 C5 C10 116.8(8) . . . . ?
C2 Rh1 C5 C10 156.2(7) . . . . ?
C3 Rh1 C5 C10 -161.7(7) . . . . ?
C4 Rh1 C5 C10 -124.3(8) . . . . ?
P1 Rh1 C5 C10 5.1(6) . . . . ?
Br1 Rh1 C5 C10 -93.5(6) . . . . ?
C1 Rh1 C11 C12 -44.5(4) . . . . ?
C2 Rh1 C11 C12 -80.5(4) . . . . ?
C3 Rh1 C11 C12 -109.1(4) . . . . ?
C4 Rh1 C11 C12 -97.3(5) . . . . ?
C5 Rh1 C11 C12 -37.6(5) . . . . ?
P1 Rh1 C11 C12 68.5(4) . . . . ?
Br1 Rh1 C11 C12 158.3(4) . . . . ?
C1 Rh1 C11 C16 129.0(4) . . . . ?
C2 Rh1 C11 C16 93.0(4) . . . . ?
C3 Rh1 C11 C16 64.4(4) . . . . ?
C4 Rh1 C11 C16 76.2(5) . . . . ?
C5 Rh1 C11 C16 135.9(4) . . . . ?
P1 Rh1 C11 C16 -118.0(4) . . . . ?
Br1 Rh1 C11 C16 -28.2(4) . . . . ?
C16 C11 C12 C13 1.9(7) . . . . ?
Rh1 C11 C12 C13 175.6(4) . . . . ?
C11 C12 C13 C14 -0.3(8) . . . . ?
C12 C13 C14 C15 -1.1(8) . . . . ?
C13 C14 C15 C16 0.8(8) . . . . ?
C12 C11 C16 C15 -2.1(7) . . . . ?
Rh1 C11 C16 C15 -175.9(4) . . . . ?
C14 C15 C16 C11 0.8(8) . . . . ?
C23 P1 C17 C18 -19.5(5) . . . . ?
C29 P1 C17 C18 -124.8(5) . . . . ?
Rh1 P1 C17 C18 112.5(4) . . . . ?
C23 P1 C17 C22 167.5(5) . . . . ?
C29 P1 C17 C22 62.2(5) . . . . ?
Rh1 P1 C17 C22 -60.4(5) . . . . ?
C22 C17 C18 C19 -1.5(9) . . . . ?
P1 C17 C18 C19 -174.7(5) . . . . ?
C17 C18 C19 C20 -0.4(10) . . . . ?
C18 C19 C20 C21 0.3(11) . . . . ?
C19 C20 C21 C22 1.7(12) . . . . ?
C20 C21 C22 C17 -3.8(11) . . . . ?
C18 C17 C22 C21 3.6(9) . . . . ?
P1 C17 C22 C21 176.9(5) . . . . ?
C17 P1 C23 C28 96.9(5) . . . . ?
C29 P1 C23 C28 -156.5(5) . . . . ?
Rh1 P1 C23 C28 -33.0(5) . . . . ?
C17 P1 C23 C24 -80.8(5) . . . . ?
C29 P1 C23 C24 25.8(5) . . . . ?
Rh1 P1 C23 C24 149.3(4) . . . . ?
C28 C23 C24 C25 -2.1(9) . . . . ?
P1 C23 C24 C25 175.7(5) . . . . ?
C23 C24 C25 C26 1.1(10) . . . . ?
C24 C25 C26 C27 -0.5(11) . . . . ?
C25 C26 C27 C28 0.9(10) . . . . ?
C24 C23 C28 C27 2.5(9) . . . . ?
P1 C23 C28 C27 -175.2(5) . . . . ?
C26 C27 C28 C23 -1.9(10) . . . . ?
C17 P1 C29 C34 9.3(5) . . . . ?
C23 P1 C29 C34 -95.0(5) . . . . ?
Rh1 P1 C29 C34 135.6(4) . . . . ?
C17 P1 C29 C30 -174.3(4) . . . . ?
C23 P1 C29 C30 81.4(4) . . . . ?
Rh1 P1 C29 C30 -48.0(4) . . . . ?
C34 C29 C30 C31 -1.2(7) . . . . ?
P1 C29 C30 C31 -177.8(4) . . . . ?
C29 C30 C31 C32 1.0(8) . . . . ?
C30 C31 C32 C33 -0.1(9) . . . . ?
C31 C32 C33 C34 -0.7(9) . . . . ?
C30 C29 C34 C33 0.4(8) . . . . ?
P1 C29 C34 C33 176.8(4) . . . . ?
C32 C33 C34 C29 0.5(9) . . . . ?
C45 Rh2 P2 C51 77.3(2) . . . . ?
C39 Rh2 P2 C51 -27.5(3) . . . . ?
C37 Rh2 P2 C51 -87.3(7) . . . . ?
C38 Rh2 P2 C51 -9.5(4) . . . . ?
C36 Rh2 P2 C51 -95.9(3) . . . . ?
C35 Rh2 P2 C51 -66.1(3) . . . . ?
Br2 Rh2 P2 C51 169.76(18) . . . . ?
C45 Rh2 P2 C57 -45.7(3) . . . . ?
C39 Rh2 P2 C57 -150.6(3) . . . . ?
C37 Rh2 P2 C57 149.7(7) . . . . ?
C38 Rh2 P2 C57 -132.6(4) . . . . ?
C36 Rh2 P2 C57 141.0(3) . . . . ?
C35 Rh2 P2 C57 170.9(3) . . . . ?
Br2 Rh2 P2 C57 46.7(2) . . . . ?
C45 Rh2 P2 C63 -165.4(3) . . . . ?
C39 Rh2 P2 C63 89.7(3) . . . . ?
C37 Rh2 P2 C63 29.9(7) . . . . ?
C38 Rh2 P2 C63 107.7(4) . . . . ?
C36 Rh2 P2 C63 21.3(3) . . . . ?
C35 Rh2 P2 C63 51.1(3) . . . . ?
Br2 Rh2 P2 C63 -73.0(2) . . . . ?
C45 Rh2 C35 C36 116.6(5) . . . . ?
C39 Rh2 C35 C36 120.1(6) . . . . ?
C37 Rh2 C35 C36 37.8(4) . . . . ?
C38 Rh2 C35 C36 79.8(5) . . . . ?
P2 Rh2 C35 C36 -134.5(4) . . . . ?
Br2 Rh2 C35 C36 -35.0(5) . . . . ?
C45 Rh2 C35 C39 -3.6(6) . . . . ?
C37 Rh2 C35 C39 -82.4(5) . . . . ?
C38 Rh2 C35 C39 -40.3(4) . . . . ?
C36 Rh2 C35 C39 -120.1(6) . . . . ?
P2 Rh2 C35 C39 105.3(4) . . . . ?
Br2 Rh2 C35 C39 -155.1(4) . . . . ?
C45 Rh2 C35 C40 -119.9(7) . . . . ?
C39 Rh2 C35 C40 -116.3(9) . . . . ?
C37 Rh2 C35 C40 161.3(8) . . . . ?
C38 Rh2 C35 C40 -156.7(8) . . . . ?
C36 Rh2 C35 C40 123.5(9) . . . . ?
P2 Rh2 C35 C40 -11.0(7) . . . . ?
Br2 Rh2 C35 C40 88.5(7) . . . . ?
C39 C35 C36 C37 -3.4(7) . . . . ?
C40 C35 C36 C37 168.4(6) . . . . ?
Rh2 C35 C36 C37 -60.7(4) . . . . ?
C39 C35 C36 C41 -177.8(7) . . . . ?
C40 C35 C36 C41 -6.0(11) . . . . ?
Rh2 C35 C36 C41 124.9(7) . . . . ?
C39 C35 C36 Rh2 57.3(4) . . . . ?
C40 C35 C36 Rh2 -130.9(7) . . . . ?
C45 Rh2 C36 C35 -111.5(5) . . . . ?
C39 Rh2 C36 C35 -36.8(4) . . . . ?
C37 Rh2 C36 C35 -118.0(6) . . . . ?
C38 Rh2 C36 C35 -80.1(5) . . . . ?
P2 Rh2 C36 C35 57.4(5) . . . . ?
Br2 Rh2 C36 C35 151.2(4) . . . . ?
C45 Rh2 C36 C37 6.5(7) . . . . ?
C39 Rh2 C36 C37 81.2(5) . . . . ?
C38 Rh2 C36 C37 37.9(4) . . . . ?
C35 Rh2 C36 C37 118.0(6) . . . . ?
P2 Rh2 C36 C37 175.4(4) . . . . ?
Br2 Rh2 C36 C37 -90.8(4) . . . . ?
C45 Rh2 C36 C41 124.5(7) . . . . ?
C39 Rh2 C36 C41 -160.8(8) . . . . ?
C37 Rh2 C36 C41 118.0(8) . . . . ?
C38 Rh2 C36 C41 155.9(8) . . . . ?
C35 Rh2 C36 C41 -123.9(9) . . . . ?
P2 Rh2 C36 C41 -66.6(7) . . . . ?
Br2 Rh2 C36 C41 27.3(7) . . . . ?
C35 C36 C37 C38 -0.8(7) . . . . ?
C41 C36 C37 C38 173.7(6) . . . . ?
Rh2 C36 C37 C38 -64.2(4) . . . . ?
C35 C36 C37 C42 -174.5(6) . . . . ?
C41 C36 C37 C42 0.0(11) . . . . ?
Rh2 C36 C37 C42 122.1(7) . . . . ?
C35 C36 C37 Rh2 63.4(5) . . . . ?
C41 C36 C37 Rh2 -122.0(7) . . . . ?
C45 Rh2 C37 C38 -60.3(4) . . . . ?
C39 Rh2 C37 C38 36.9(4) . . . . ?
C36 Rh2 C37 C38 115.6(6) . . . . ?
C35 Rh2 C37 C38 79.9(4) . . . . ?
P2 Rh2 C37 C38 103.8(7) . . . . ?
Br2 Rh2 C37 C38 -153.4(3) . . . . ?
C45 Rh2 C37 C36 -175.9(4) . . . . ?
C39 Rh2 C37 C36 -78.7(4) . . . . ?
C38 Rh2 C37 C36 -115.6(6) . . . . ?
C35 Rh2 C37 C36 -35.8(4) . . . . ?
P2 Rh2 C37 C36 -11.9(10) . . . . ?
Br2 Rh2 C37 C36 91.0(4) . . . . ?
C45 Rh2 C37 C42 61.8(8) . . . . ?
C39 Rh2 C37 C42 159.0(8) . . . . ?
C38 Rh2 C37 C42 122.1(9) . . . . ?
C36 Rh2 C37 C42 -122.3(10) . . . . ?
C35 Rh2 C37 C42 -158.0(9) . . . . ?
P2 Rh2 C37 C42 -134.2(6) . . . . ?
Br2 Rh2 C37 C42 -31.3(7) . . . . ?
C36 C37 C38 C39 4.8(7) . . . . ?
C42 C37 C38 C39 178.4(6) . . . . ?
Rh2 C37 C38 C39 -60.2(4) . . . . ?
C36 C37 C38 C43 -173.8(6) . . . . ?
C42 C37 C38 C43 -0.1(11) . . . . ?
Rh2 C37 C38 C43 121.2(6) . . . . ?
C36 C37 C38 Rh2 65.1(4) . . . . ?
C42 C37 C38 Rh2 -121.3(7) . . . . ?
C45 Rh2 C38 C37 122.9(4) . . . . ?
C39 Rh2 C38 C37 -119.4(6) . . . . ?
C36 Rh2 C38 C37 -38.6(4) . . . . ?
C35 Rh2 C38 C37 -79.2(4) . . . . ?
P2 Rh2 C38 C37 -147.9(3) . . . . ?
Br2 Rh2 C38 C37 33.0(4) . . . . ?
C45 Rh2 C38 C39 -117.6(4) . . . . ?
C37 Rh2 C38 C39 119.4(6) . . . . ?
C36 Rh2 C38 C39 80.8(4) . . . . ?
C35 Rh2 C38 C39 40.2(4) . . . . ?
P2 Rh2 C38 C39 -28.5(6) . . . . ?
Br2 Rh2 C38 C39 152.4(4) . . . . ?
C45 Rh2 C38 C43 0.1(7) . . . . ?
C39 Rh2 C38 C43 117.7(9) . . . . ?
C37 Rh2 C38 C43 -122.9(9) . . . . ?
C36 Rh2 C38 C43 -161.5(8) . . . . ?
C35 Rh2 C38 C43 157.9(8) . . . . ?
P2 Rh2 C38 C43 89.2(7) . . . . ?
Br2 Rh2 C38 C43 -89.9(7) . . . . ?
C37 C38 C39 C35 -6.7(7) . . . . ?
C43 C38 C39 C35 171.9(6) . . . . ?
Rh2 C38 C39 C35 -67.6(4) . . . . ?
C37 C38 C39 C44 -171.0(6) . . . . ?
C43 C38 C39 C44 7.6(10) . . . . ?
Rh2 C38 C39 C44 128.1(6) . . . . ?
C37 C38 C39 Rh2 60.9(4) . . . . ?
C43 C38 C39 Rh2 -120.5(6) . . . . ?
C36 C35 C39 C38 6.2(7) . . . . ?
C40 C35 C39 C38 -166.0(6) . . . . ?
Rh2 C35 C39 C38 65.6(4) . . . . ?
C36 C35 C39 C44 170.3(6) . . . . ?
C40 C35 C39 C44 -1.9(10) . . . . ?
Rh2 C35 C39 C44 -130.3(7) . . . . ?
C36 C35 C39 Rh2 -59.4(4) . . . . ?
C40 C35 C39 Rh2 128.5(6) . . . . ?
C45 Rh2 C39 C38 65.2(5) . . . . ?
C37 Rh2 C39 C38 -35.7(4) . . . . ?
C36 Rh2 C39 C38 -78.0(5) . . . . ?
C35 Rh2 C39 C38 -112.5(6) . . . . ?
P2 Rh2 C39 C38 162.7(4) . . . . ?
Br2 Rh2 C39 C38 -59.6(6) . . . . ?
C45 Rh2 C39 C35 177.7(4) . . . . ?
C37 Rh2 C39 C35 76.8(4) . . . . ?
C38 Rh2 C39 C35 112.5(6) . . . . ?
C36 Rh2 C39 C35 34.5(4) . . . . ?
P2 Rh2 C39 C35 -84.8(4) . . . . ?
Br2 Rh2 C39 C35 52.9(6) . . . . ?
C45 Rh2 C39 C44 -56.7(7) . . . . ?
C37 Rh2 C39 C44 -157.6(8) . . . . ?
C38 Rh2 C39 C44 -121.9(8) . . . . ?
C36 Rh2 C39 C44 160.1(8) . . . . ?
C35 Rh2 C39 C44 125.6(9) . . . . ?
P2 Rh2 C39 C44 40.8(7) . . . . ?
Br2 Rh2 C39 C44 178.5(5) . . . . ?
C39 Rh2 C45 C50 51.2(6) . . . . ?
C37 Rh2 C45 C50 116.7(6) . . . . ?
C38 Rh2 C45 C50 85.3(6) . . . . ?
C36 Rh2 C45 C50 112.6(6) . . . . ?
C35 Rh2 C45 C50 53.5(7) . . . . ?
P2 Rh2 C45 C50 -58.2(6) . . . . ?
Br2 Rh2 C45 C50 -150.1(5) . . . . ?
C39 Rh2 C45 C46 -116.2(5) . . . . ?
C37 Rh2 C45 C46 -50.7(5) . . . . ?
C38 Rh2 C45 C46 -82.1(5) . . . . ?
C36 Rh2 C45 C46 -54.8(7) . . . . ?
C35 Rh2 C45 C46 -113.9(5) . . . . ?
P2 Rh2 C45 C46 134.4(5) . . . . ?
Br2 Rh2 C45 C46 42.5(5) . . . . ?
C50 C45 C46 C47 -0.7(9) . . . . ?
Rh2 C45 C46 C47 167.8(5) . . . . ?
C45 C46 C47 C48 1.7(10) . . . . ?
C46 C47 C48 C49 -2.2(11) . . . . ?
C47 C48 C49 C50 1.7(11) . . . . ?
C46 C45 C50 C49 0.2(10) . . . . ?
Rh2 C45 C50 C49 -167.6(5) . . . . ?
C48 C49 C50 C45 -0.8(11) . . . . ?
C57 P2 C51 C52 -152.2(5) . . . . ?
C63 P2 C51 C52 -46.7(6) . . . . ?
Rh2 P2 C51 C52 75.7(6) . . . . ?
C57 P2 C51 C56 29.7(6) . . . . ?
C63 P2 C51 C56 135.2(5) . . . . ?
Rh2 P2 C51 C56 -102.4(5) . . . . ?
C56 C51 C52 C53 3.5(10) . . . . ?
P2 C51 C52 C53 -174.7(6) . . . . ?
C51 C52 C53 C54 -2.7(12) . . . . ?
C52 C53 C54 C55 1.4(12) . . . . ?
C53 C54 C55 C56 -1.0(11) . . . . ?
C52 C51 C56 C55 -3.2(9) . . . . ?
P2 C51 C56 C55 175.0(5) . . . . ?
C54 C55 C56 C51 2.0(10) . . . . ?
C51 P2 C57 C58 -119.3(6) . . . . ?
C63 P2 C57 C58 134.6(6) . . . . ?
Rh2 P2 C57 C58 9.9(6) . . . . ?
C51 P2 C57 C62 58.0(6) . . . . ?
C63 P2 C57 C62 -48.1(7) . . . . ?
Rh2 P2 C57 C62 -172.8(5) . . . . ?
C62 C57 C58 C59 -0.9(11) . . . . ?
P2 C57 C58 C59 176.5(6) . . . . ?
C57 C58 C59 C60 -0.3(13) . . . . ?
C58 C59 C60 C61 0.7(14) . . . . ?
C59 C60 C61 C62 0.1(14) . . . . ?
C60 C61 C62 C57 -1.3(14) . . . . ?
C58 C57 C62 C61 1.7(12) . . . . ?
P2 C57 C62 C61 -175.8(7) . . . . ?
C51 P2 C63 C68 151.8(4) . . . . ?
C57 P2 C63 C68 -102.6(5) . . . . ?
Rh2 P2 C63 C68 27.2(5) . . . . ?
C51 P2 C63 C64 -26.9(6) . . . . ?
C57 P2 C63 C64 78.8(6) . . . . ?
Rh2 P2 C63 C64 -151.4(5) . . . . ?
C68 C63 C64 C65 1.0(10) . . . . ?
P2 C63 C64 C65 179.6(5) . . . . ?
C63 C64 C65 C66 -2.9(11) . . . . ?
C64 C65 C66 C67 3.9(12) . . . . ?
C65 C66 C67 C68 -2.9(11) . . . . ?
C64 C63 C68 C67 0.0(9) . . . . ?
P2 C63 C68 C67 -178.7(5) . . . . ?
C66 C67 C68 C63 0.9(10) . . . . ?

_diffrn_measured_fraction_theta_max 0.996
_diffrn_reflns_theta_full        27.52
_diffrn_measured_fraction_theta_full 0.996
_refine_diff_density_max         1.184
_refine_diff_density_min         -1.313
_refine_diff_density_rms         0.174
_exptl_crystal_recrystallization_method 'Vapour deposition'
####################################################################### 
# 
# 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_lyf6
_database_code_depnum_ccdc_archive 'CCDC 1455770'
_audit_update_record             
;
2016-05-12 deposited with the CCDC.
2016-05-26 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
'Rhodium,dichloro-(1,2,3,4,5-pentamethylcyclopentadienyl)(triphenylphosphine) complex '
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C29 H32 Cl4 P Rh'
_chemical_formula_weight         656.23

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P2(1)/n

loop_
_symmetry_equiv_pos_as_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                   8.5942(2)
_cell_length_b                   16.8880(4)
_cell_length_c                   19.6492(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 91.8090(10)
_cell_angle_gamma                90.00
_cell_volume                     2850.44(11)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    8567
_cell_measurement_theta_min      2.40
_cell_measurement_theta_max      26.54

_exptl_crystal_description       NEEDLE
_exptl_crystal_colour            red
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.529
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1336
_exptl_absorpt_coefficient_mu    1.048
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6497
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_process_details   'SAINT ver 7.34: Bruker SADABS'

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEXII CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            48750
_diffrn_reflns_av_R_equivalents  0.0615
_diffrn_reflns_av_sigmaI/netI    0.0402
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         1.59
_diffrn_reflns_theta_max         27.60
_reflns_number_total             6594
_reflns_number_gt                4978
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker APEXII'
_computing_cell_refinement       'Bruker APEXII'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0236P)²+2.9660P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         6594
_refine_ls_number_parameters     376
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0559
_refine_ls_R_factor_gt           0.0337
_refine_ls_wR_factor_ref         0.0750
_refine_ls_wR_factor_gt          0.0657
_refine_ls_goodness_of_fit_ref   1.001
_refine_ls_restrained_S_all      1.001
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.322026(16) 0.793941(9) 0.192869(8) 0.02629(4) Uani 1 1 d . . .
Cl1 Cl 0.29173(7) 0.67261(3) 0.25461(3) 0.04596(15) Uani 1 1 d . . .
Cl2 Cl 0.57461(6) 0.81676(3) 0.24666(3) 0.04531(15) Uani 1 1 d . . .
P1 P 0.42642(6) 0.71763(3) 0.10574(3) 0.02772(12) Uani 1 1 d . . .
C1 C 0.0846(2) 0.82524(12) 0.16312(11) 0.0348(5) Uani 1 1 d . . .
C2 C 0.1029(2) 0.84121(12) 0.23500(11) 0.0363(5) Uani 1 1 d . . .
C3 C 0.2219(2) 0.89766(12) 0.24466(10) 0.0357(5) Uani 1 1 d . . .
C4 C 0.2761(2) 0.91983(11) 0.17867(11) 0.0346(5) Uani 1 1 d . . .
C5 C 0.1882(2) 0.87708(12) 0.12882(10) 0.0353(5) Uani 1 1 d . . .
C6 C -0.0428(3) 0.77614(15) 0.13187(14) 0.0576(8) Uani 1 1 d . . .
H6A H -0.1417 0.7985 0.1427 0.096(10) Uiso 1 1 calc R . .
H6B H -0.0358 0.7232 0.1494 0.094(10) Uiso 1 1 calc R . .
H6C H -0.0331 0.7751 0.0833 0.113 Uiso 1 1 calc R . .
C7 C 0.0067(3) 0.80392(16) 0.28828(13) 0.0590(8) Uani 1 1 d . . .
H7A H -0.1015 0.8138 0.2780 0.114(12) Uiso 1 1 calc R . .
H7B H 0.0348 0.8261 0.3319 0.136 Uiso 1 1 calc R . .
H7C H 0.0251 0.7479 0.2891 0.136 Uiso 1 1 calc R . .
C8 C 0.2765(3) 0.93396(16) 0.31044(12) 0.0595(8) Uani 1 1 d . . .
H8A H 0.3871 0.9417 0.3100 0.093(10) Uiso 1 1 calc R . .
H8B H 0.2516 0.8994 0.3474 0.091(10) Uiso 1 1 calc R . .
H8C H 0.2258 0.9841 0.3162 0.109 Uiso 1 1 calc R . .
C9 C 0.3892(3) 0.98597(13) 0.16787(14) 0.0539(7) Uani 1 1 d . . .
H9A H 0.4860 0.9743 0.1915 0.082(9) Uiso 1 1 calc R . .
H9B H 0.3474 1.0344 0.1851 0.075(8) Uiso 1 1 calc R . .
H9C H 0.4066 0.9916 0.1201 0.089 Uiso 1 1 calc R . .
C10 C 0.1882(3) 0.89016(15) 0.05338(12) 0.0511(7) Uani 1 1 d . . .
H10C H 0.284(3) 0.9071(16) 0.0370(13) 0.079(9) Uiso 1 1 d . . .
H10B H 0.155(3) 0.8440(16) 0.0283(13) 0.077(9) Uiso 1 1 d . . .
H10A H 0.113(3) 0.9265(15) 0.0421(12) 0.068(8) Uiso 1 1 d . . .
C11 C 0.2696(2) 0.67796(12) 0.05066(10) 0.0320(5) Uani 1 1 d . . .
C12 C 0.1646(3) 0.62633(13) 0.08014(11) 0.0413(6) Uani 1 1 d . . .
H12A H 0.179(2) 0.6139(13) 0.1252(11) 0.045(6) Uiso 1 1 d . . .
C13 C 0.0408(3) 0.59608(14) 0.04217(13) 0.0531(7) Uani 1 1 d . . .
H13A H -0.0276 0.5609 0.0620 0.064 Uiso 1 1 calc R . .
C14 C 0.0182(3) 0.61766(15) -0.02485(13) 0.0545(7) Uani 1 1 d . . .
H14A H -0.069(3) 0.6010(14) -0.0503(11) 0.055(7) Uiso 1 1 d . . .
C15 C 0.1193(3) 0.66880(15) -0.05477(12) 0.0505(7) Uani 1 1 d . . .
H15A H 0.109(3) 0.6824(14) -0.0979(12) 0.056(7) Uiso 1 1 d . . .
C16 C 0.2460(3) 0.69876(13) -0.01693(11) 0.0383(5) Uani 1 1 d . . .
H16A H 0.314(2) 0.7299(11) -0.0380(9) 0.026(5) Uiso 1 1 d . . .
C17 C 0.5419(2) 0.62910(12) 0.12651(10) 0.0317(5) Uani 1 1 d . . .
C18 C 0.6592(2) 0.63378(14) 0.17641(11) 0.0438(6) Uani 1 1 d . . .
H18A H 0.6748 0.6806 0.2005 0.053 Uiso 1 1 calc R . .
C19 C 0.7532(3) 0.56884(16) 0.19041(13) 0.0564(7) Uani 1 1 d . . .
H19A H 0.830(3) 0.5750(15) 0.2218(13) 0.067(8) Uiso 1 1 d . . .
C20 C 0.7318(3) 0.49934(14) 0.15633(13) 0.0533(7) Uani 1 1 d . . .
H20A H 0.791(3) 0.4524(16) 0.1663(13) 0.073(8) Uiso 1 1 d . . .
C21 C 0.6177(3) 0.49433(14) 0.10624(14) 0.0564(7) Uani 1 1 d . . .
H21A H 0.597(3) 0.4501(15) 0.0810(12) 0.061(7) Uiso 1 1 d . . .
C22 C 0.5226(3) 0.55851(13) 0.09122(12) 0.0467(6) Uani 1 1 d . . .
H22A H 0.4453 0.5543 0.0572 0.056 Uiso 1 1 calc R . .
C23 C 0.5542(2) 0.77083(12) 0.04880(10) 0.0329(5) Uani 1 1 d . . .
C24 C 0.5861(2) 0.84987(13) 0.06114(12) 0.0413(6) Uani 1 1 d . . .
H24A H 0.546(2) 0.8765(13) 0.0981(11) 0.046(6) Uiso 1 1 d . . .
C25 C 0.6781(3) 0.89236(15) 0.01718(14) 0.0558(7) Uani 1 1 d . . .
H25A H 0.702(3) 0.9451(14) 0.0273(12) 0.058(7) Uiso 1 1 d . . .
C26 C 0.7398(3) 0.85641(16) -0.03817(13) 0.0577(7) Uani 1 1 d . . .
H26A H 0.7992 0.8855 -0.0680 0.069 Uiso 1 1 calc R . .
C27 C 0.7135(3) 0.77715(17) -0.04953(12) 0.0559(7) Uani 1 1 d . . .
H27A H 0.7573 0.7523 -0.0866 0.067 Uiso 1 1 calc R . .
C28 C 0.6223(3) 0.73435(15) -0.00610(12) 0.0475(6) Uani 1 1 d . . .
H28A H 0.610(3) 0.6822(15) -0.0099(13) 0.071(8) Uiso 1 1 d . . .
C29 C 0.8752(3) 0.12396(16) 0.14023(15) 0.0610(8) Uani 1 1 d . . .
H29A H 0.9259 0.1515 0.1037 0.087(10) Uiso 1 1 calc R . .
H29B H 0.9072 0.1490 0.1828 0.104 Uiso 1 1 calc R . .
Cl3 Cl 0.93465(11) 0.02633(5) 0.14144(6) 0.1011(3) Uani 1 1 d . . .
Cl4 Cl 0.67434(8) 0.13299(5) 0.12863(4) 0.0727(2) 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 C1 2.1699(19) . ?
Rh1 C4 2.1786(19) . ?
Rh1 C5 2.1877(19) . ?
Rh1 C3 2.213(2) . ?
Rh1 C2 2.229(2) . ?
Rh1 P1 2.3439(5) . ?
Rh1 Cl1 2.3997(6) . ?
Rh1 Cl2 2.4152(5) . ?
P1 C23 1.828(2) . ?
P1 C11 1.829(2) . ?
P1 C17 1.833(2) . ?
C1 C5 1.432(3) . ?
C1 C2 1.442(3) . ?
C1 C6 1.491(3) . ?
C2 C3 1.407(3) . ?
C2 C7 1.493(3) . ?
C3 C4 1.441(3) . ?
C3 C8 1.493(3) . ?
C4 C5 1.416(3) . ?
C4 C9 1.500(3) . ?
C5 C10 1.499(3) . ?
C6 H6A 0.9600 . ?
C6 H6B 0.9600 . ?
C6 H6C 0.9600 . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 H10C 0.94(3) . ?
C10 H10B 0.96(3) . ?
C10 H10A 0.91(3) . ?
C11 C16 1.383(3) . ?
C11 C12 1.393(3) . ?
C12 C13 1.378(3) . ?
C12 H12A 0.91(2) . ?
C13 C14 1.374(4) . ?
C13 H13A 0.9300 . ?
C14 C15 1.371(4) . ?
C14 H14A 0.93(2) . ?
C15 C16 1.394(3) . ?
C15 H15A 0.88(2) . ?
C16 H16A 0.898(18) . ?
C17 C18 1.386(3) . ?
C17 C22 1.386(3) . ?
C18 C19 1.385(3) . ?
C18 H18A 0.9300 . ?
C19 C20 1.361(4) . ?
C19 H19A 0.89(2) . ?
C20 C21 1.370(4) . ?
C20 H20A 0.96(3) . ?
C21 C22 1.384(3) . ?
C21 H21A 0.91(2) . ?
C22 H22A 0.9300 . ?
C23 C24 1.383(3) . ?
C23 C28 1.388(3) . ?
C24 C25 1.389(3) . ?
C24 H24A 0.93(2) . ?
C25 C26 1.367(4) . ?
C25 H25A 0.93(2) . ?
C26 C27 1.374(4) . ?
C26 H26A 0.9300 . ?
C27 C28 1.381(3) . ?
C27 H27A 0.9300 . ?
C28 H28A 0.89(3) . ?
C29 Cl3 1.726(3) . ?
C29 Cl4 1.741(3) . ?
C29 H29A 0.9700 . ?
C29 H29B 0.9700 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C1 Rh1 C4 64.09(8) . . ?
C1 Rh1 C5 38.38(8) . . ?
C4 Rh1 C5 37.84(7) . . ?
C1 Rh1 C3 63.59(7) . . ?
C4 Rh1 C3 38.30(8) . . ?
C5 Rh1 C3 63.37(8) . . ?
C1 Rh1 C2 38.23(8) . . ?
C4 Rh1 C2 63.03(8) . . ?
C5 Rh1 C2 63.18(8) . . ?
C3 Rh1 C2 36.92(7) . . ?
C1 Rh1 P1 108.39(6) . . ?
C4 Rh1 P1 120.99(6) . . ?
C5 Rh1 P1 97.99(5) . . ?
C3 Rh1 P1 159.11(6) . . ?
C2 Rh1 P1 144.64(6) . . ?
C1 Rh1 Cl1 103.18(6) . . ?
C4 Rh1 Cl1 151.16(6) . . ?
C5 Rh1 Cl1 140.84(6) . . ?
C3 Rh1 Cl1 113.16(6) . . ?
C2 Rh1 Cl1 90.67(6) . . ?
P1 Rh1 Cl1 87.130(19) . . ?
C1 Rh1 Cl2 154.62(6) . . ?
C4 Rh1 Cl2 93.26(5) . . ?
C5 Rh1 Cl2 126.74(6) . . ?
C3 Rh1 Cl2 91.69(5) . . ?
C2 Rh1 Cl2 122.59(6) . . ?
P1 Rh1 Cl2 92.749(19) . . ?
Cl1 Rh1 Cl2 91.46(2) . . ?
C23 P1 C11 105.30(9) . . ?
C23 P1 C17 101.86(9) . . ?
C11 P1 C17 102.52(9) . . ?
C23 P1 Rh1 115.34(7) . . ?
C11 P1 Rh1 109.97(7) . . ?
C17 P1 Rh1 120.18(7) . . ?
C5 C1 C2 107.26(17) . . ?
C5 C1 C6 127.3(2) . . ?
C2 C1 C6 124.3(2) . . ?
C5 C1 Rh1 71.48(11) . . ?
C2 C1 Rh1 73.11(11) . . ?
C6 C1 Rh1 130.39(15) . . ?
C3 C2 C1 108.37(18) . . ?
C3 C2 C7 127.4(2) . . ?
C1 C2 C7 124.2(2) . . ?
C3 C2 Rh1 70.93(11) . . ?
C1 C2 Rh1 68.66(11) . . ?
C7 C2 Rh1 127.01(15) . . ?
C2 C3 C4 108.01(18) . . ?
C2 C3 C8 127.0(2) . . ?
C4 C3 C8 124.8(2) . . ?
C2 C3 Rh1 72.15(12) . . ?
C4 C3 Rh1 69.54(11) . . ?
C8 C3 Rh1 127.38(15) . . ?
C5 C4 C3 108.02(18) . . ?
C5 C4 C9 128.0(2) . . ?
C3 C4 C9 123.37(19) . . ?
C5 C4 Rh1 71.43(11) . . ?
C3 C4 Rh1 72.15(11) . . ?
C9 C4 Rh1 129.01(15) . . ?
C4 C5 C1 108.19(18) . . ?
C4 C5 C10 126.3(2) . . ?
C1 C5 C10 125.09(19) . . ?
C4 C5 Rh1 70.73(11) . . ?
C1 C5 Rh1 70.14(11) . . ?
C10 C5 Rh1 130.34(15) . . ?
C1 C6 H6A 109.5 . . ?
C1 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C1 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C2 C7 H7A 109.5 . . ?
C2 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C2 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C3 C8 H8A 109.5 . . ?
C3 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C3 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C4 C9 H9A 109.5 . . ?
C4 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C4 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C5 C10 H10C 114.3(16) . . ?
C5 C10 H10B 112.2(16) . . ?
H10C C10 H10B 109(2) . . ?
C5 C10 H10A 108.5(16) . . ?
H10C C10 H10A 109(2) . . ?
H10B C10 H10A 103(2) . . ?
C16 C11 C12 118.75(19) . . ?
C16 C11 P1 123.95(16) . . ?
C12 C11 P1 117.25(15) . . ?
C13 C12 C11 120.4(2) . . ?
C13 C12 H12A 121.3(14) . . ?
C11 C12 H12A 118.3(14) . . ?
C14 C13 C12 120.3(2) . . ?
C14 C13 H13A 119.9 . . ?
C12 C13 H13A 119.9 . . ?
C15 C14 C13 120.4(2) . . ?
C15 C14 H14A 118.0(14) . . ?
C13 C14 H14A 121.5(14) . . ?
C14 C15 C16 119.7(2) . . ?
C14 C15 H15A 122.1(16) . . ?
C16 C15 H15A 118.2(16) . . ?
C11 C16 C15 120.6(2) . . ?
C11 C16 H16A 120.9(12) . . ?
C15 C16 H16A 118.5(12) . . ?
C18 C17 C22 118.38(19) . . ?
C18 C17 P1 119.18(16) . . ?
C22 C17 P1 122.32(16) . . ?
C19 C18 C17 120.1(2) . . ?
C19 C18 H18A 119.9 . . ?
C17 C18 H18A 119.9 . . ?
C20 C19 C18 121.1(2) . . ?
C20 C19 H19A 121.6(17) . . ?
C18 C19 H19A 117.3(17) . . ?
C19 C20 C21 119.3(2) . . ?
C19 C20 H20A 123.4(16) . . ?
C21 C20 H20A 117.3(16) . . ?
C20 C21 C22 120.6(2) . . ?
C20 C21 H21A 124.2(15) . . ?
C22 C21 H21A 115.1(15) . . ?
C21 C22 C17 120.4(2) . . ?
C21 C22 H22A 119.8 . . ?
C17 C22 H22A 119.8 . . ?
C24 C23 C28 118.6(2) . . ?
C24 C23 P1 119.13(16) . . ?
C28 C23 P1 122.27(17) . . ?
C23 C24 C25 120.2(2) . . ?
C23 C24 H24A 121.9(14) . . ?
C25 C24 H24A 117.8(14) . . ?
C26 C25 C24 120.5(2) . . ?
C26 C25 H25A 120.4(15) . . ?
C24 C25 H25A 119.0(15) . . ?
C25 C26 C27 119.7(2) . . ?
C25 C26 H26A 120.1 . . ?
C27 C26 H26A 120.1 . . ?
C26 C27 C28 120.2(2) . . ?
C26 C27 H27A 119.9 . . ?
C28 C27 H27A 119.9 . . ?
C27 C28 C23 120.6(2) . . ?
C27 C28 H28A 122.4(17) . . ?
C23 C28 H28A 116.8(17) . . ?
Cl3 C29 Cl4 112.18(15) . . ?
Cl3 C29 H29A 109.2 . . ?
Cl4 C29 H29A 109.2 . . ?
Cl3 C29 H29B 109.2 . . ?
Cl4 C29 H29B 109.2 . . ?
H29A C29 H29B 107.9 . . ?

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
C1 Rh1 P1 C23 100.65(9) . . . . ?
C4 Rh1 P1 C23 30.37(9) . . . . ?
C5 Rh1 P1 C23 62.60(9) . . . . ?
C3 Rh1 P1 C23 36.96(17) . . . . ?
C2 Rh1 P1 C23 116.48(12) . . . . ?
Cl1 Rh1 P1 C23 -156.41(7) . . . . ?
Cl2 Rh1 P1 C23 -65.09(7) . . . . ?
C1 Rh1 P1 C11 -18.21(9) . . . . ?
C4 Rh1 P1 C11 -88.49(9) . . . . ?
C5 Rh1 P1 C11 -56.26(9) . . . . ?
C3 Rh1 P1 C11 -81.91(17) . . . . ?
C2 Rh1 P1 C11 -2.38(12) . . . . ?
Cl1 Rh1 P1 C11 84.73(7) . . . . ?
Cl2 Rh1 P1 C11 176.05(7) . . . . ?
C1 Rh1 P1 C17 -136.77(9) . . . . ?
C4 Rh1 P1 C17 152.95(10) . . . . ?
C5 Rh1 P1 C17 -174.82(9) . . . . ?
C3 Rh1 P1 C17 159.54(16) . . . . ?
C2 Rh1 P1 C17 -120.93(12) . . . . ?
Cl1 Rh1 P1 C17 -33.83(8) . . . . ?
Cl2 Rh1 P1 C17 57.49(8) . . . . ?
C4 Rh1 C1 C5 36.81(12) . . . . ?
C3 Rh1 C1 C5 79.68(13) . . . . ?
C2 Rh1 C1 C5 115.38(17) . . . . ?
P1 Rh1 C1 C5 -79.40(11) . . . . ?
Cl1 Rh1 C1 C5 -170.76(10) . . . . ?
Cl2 Rh1 C1 C5 65.56(19) . . . . ?
C4 Rh1 C1 C2 -78.57(13) . . . . ?
C5 Rh1 C1 C2 -115.38(17) . . . . ?
C3 Rh1 C1 C2 -35.70(12) . . . . ?
P1 Rh1 C1 C2 165.21(10) . . . . ?
Cl1 Rh1 C1 C2 73.86(12) . . . . ?
Cl2 Rh1 C1 C2 -49.8(2) . . . . ?
C4 Rh1 C1 C6 160.4(2) . . . . ?
C5 Rh1 C1 C6 123.6(3) . . . . ?
C3 Rh1 C1 C6 -156.7(2) . . . . ?
C2 Rh1 C1 C6 -121.0(3) . . . . ?
P1 Rh1 C1 C6 44.2(2) . . . . ?
Cl1 Rh1 C1 C6 -47.1(2) . . . . ?
Cl2 Rh1 C1 C6 -170.81(15) . . . . ?
C5 C1 C2 C3 -3.7(2) . . . . ?
C6 C1 C2 C3 -172.18(19) . . . . ?
Rh1 C1 C2 C3 60.04(14) . . . . ?
C5 C1 C2 C7 175.2(2) . . . . ?
C6 C1 C2 C7 6.7(3) . . . . ?
Rh1 C1 C2 C7 -121.1(2) . . . . ?
C5 C1 C2 Rh1 -63.78(13) . . . . ?
C6 C1 C2 Rh1 127.8(2) . . . . ?
C1 Rh1 C2 C3 -119.54(18) . . . . ?
C4 Rh1 C2 C3 -37.96(12) . . . . ?
C5 Rh1 C2 C3 -80.60(13) . . . . ?
P1 Rh1 C2 C3 -144.28(10) . . . . ?
Cl1 Rh1 C2 C3 129.74(12) . . . . ?
Cl2 Rh1 C2 C3 37.59(14) . . . . ?
C4 Rh1 C2 C1 81.59(13) . . . . ?
C5 Rh1 C2 C1 38.94(12) . . . . ?
C3 Rh1 C2 C1 119.54(18) . . . . ?
P1 Rh1 C2 C1 -24.74(17) . . . . ?
Cl1 Rh1 C2 C1 -110.72(11) . . . . ?
Cl2 Rh1 C2 C1 157.13(10) . . . . ?
C1 Rh1 C2 C7 117.5(2) . . . . ?
C4 Rh1 C2 C7 -160.9(2) . . . . ?
C5 Rh1 C2 C7 156.4(2) . . . . ?
C3 Rh1 C2 C7 -123.0(2) . . . . ?
P1 Rh1 C2 C7 92.8(2) . . . . ?
Cl1 Rh1 C2 C7 6.78(19) . . . . ?
Cl2 Rh1 C2 C7 -85.4(2) . . . . ?
C1 C2 C3 C4 2.0(2) . . . . ?
C7 C2 C3 C4 -176.9(2) . . . . ?
Rh1 C2 C3 C4 60.61(13) . . . . ?
C1 C2 C3 C8 177.6(2) . . . . ?
C7 C2 C3 C8 -1.3(4) . . . . ?
Rh1 C2 C3 C8 -123.8(2) . . . . ?
C1 C2 C3 Rh1 -58.64(14) . . . . ?
C7 C2 C3 Rh1 122.5(2) . . . . ?
C1 Rh1 C3 C2 36.95(12) . . . . ?
C4 Rh1 C3 C2 117.82(17) . . . . ?
C5 Rh1 C3 C2 80.05(13) . . . . ?
P1 Rh1 C3 C2 108.70(17) . . . . ?
Cl1 Rh1 C3 C2 -56.75(13) . . . . ?
Cl2 Rh1 C3 C2 -149.06(12) . . . . ?
C1 Rh1 C3 C4 -80.88(12) . . . . ?
C5 Rh1 C3 C4 -37.78(11) . . . . ?
C2 Rh1 C3 C4 -117.82(17) . . . . ?
P1 Rh1 C3 C4 -9.1(2) . . . . ?
Cl1 Rh1 C3 C4 -174.58(10) . . . . ?
Cl2 Rh1 C3 C4 93.11(11) . . . . ?
C1 Rh1 C3 C8 160.3(2) . . . . ?
C4 Rh1 C3 C8 -118.8(2) . . . . ?
C5 Rh1 C3 C8 -156.6(2) . . . . ?
C2 Rh1 C3 C8 123.4(3) . . . . ?
P1 Rh1 C3 C8 -127.90(19) . . . . ?
Cl1 Rh1 C3 C8 66.6(2) . . . . ?
Cl2 Rh1 C3 C8 -25.7(2) . . . . ?
C2 C3 C4 C5 0.6(2) . . . . ?
C8 C3 C4 C5 -175.2(2) . . . . ?
Rh1 C3 C4 C5 62.83(13) . . . . ?
C2 C3 C4 C9 172.30(19) . . . . ?
C8 C3 C4 C9 -3.4(3) . . . . ?
Rh1 C3 C4 C9 -125.4(2) . . . . ?
C2 C3 C4 Rh1 -62.27(14) . . . . ?
C8 C3 C4 Rh1 122.0(2) . . . . ?
C1 Rh1 C4 C5 -37.33(12) . . . . ?
C3 Rh1 C4 C5 -116.81(17) . . . . ?
C2 Rh1 C4 C5 -80.21(13) . . . . ?
P1 Rh1 C4 C5 59.41(13) . . . . ?
Cl1 Rh1 C4 C5 -106.43(14) . . . . ?
Cl2 Rh1 C4 C5 154.59(11) . . . . ?
C1 Rh1 C4 C3 79.48(12) . . . . ?
C5 Rh1 C4 C3 116.81(17) . . . . ?
C2 Rh1 C4 C3 36.59(11) . . . . ?
P1 Rh1 C4 C3 176.22(9) . . . . ?
Cl1 Rh1 C4 C3 10.38(18) . . . . ?
Cl2 Rh1 C4 C3 -88.61(11) . . . . ?
C1 Rh1 C4 C9 -161.6(2) . . . . ?
C5 Rh1 C4 C9 -124.3(3) . . . . ?
C3 Rh1 C4 C9 118.9(2) . . . . ?
C2 Rh1 C4 C9 155.5(2) . . . . ?
P1 Rh1 C4 C9 -64.9(2) . . . . ?
Cl1 Rh1 C4 C9 129.26(18) . . . . ?
Cl2 Rh1 C4 C9 30.3(2) . . . . ?
C3 C4 C5 C1 -2.9(2) . . . . ?
C9 C4 C5 C1 -174.1(2) . . . . ?
Rh1 C4 C5 C1 60.41(13) . . . . ?
C3 C4 C5 C10 170.2(2) . . . . ?
C9 C4 C5 C10 -1.0(3) . . . . ?
Rh1 C4 C5 C10 -126.4(2) . . . . ?
C3 C4 C5 Rh1 -63.30(13) . . . . ?
C9 C4 C5 Rh1 125.5(2) . . . . ?
C2 C1 C5 C4 4.1(2) . . . . ?
C6 C1 C5 C4 172.1(2) . . . . ?
Rh1 C1 C5 C4 -60.79(14) . . . . ?
C2 C1 C5 C10 -169.17(19) . . . . ?
C6 C1 C5 C10 -1.2(3) . . . . ?
Rh1 C1 C5 C10 126.0(2) . . . . ?
C2 C1 C5 Rh1 64.86(13) . . . . ?
C6 C1 C5 Rh1 -127.1(2) . . . . ?
C1 Rh1 C5 C4 118.55(17) . . . . ?
C3 Rh1 C5 C4 38.23(12) . . . . ?
C2 Rh1 C5 C4 79.76(13) . . . . ?
P1 Rh1 C5 C4 -131.82(11) . . . . ?
Cl1 Rh1 C5 C4 132.88(11) . . . . ?
Cl2 Rh1 C5 C4 -32.32(14) . . . . ?
C4 Rh1 C5 C1 -118.55(17) . . . . ?
C3 Rh1 C5 C1 -80.32(13) . . . . ?
C2 Rh1 C5 C1 -38.79(12) . . . . ?
P1 Rh1 C5 C1 109.63(11) . . . . ?
Cl1 Rh1 C5 C1 14.33(16) . . . . ?
Cl2 Rh1 C5 C1 -150.86(10) . . . . ?
C1 Rh1 C5 C10 -119.7(3) . . . . ?
C4 Rh1 C5 C10 121.8(3) . . . . ?
C3 Rh1 C5 C10 160.0(2) . . . . ?
C2 Rh1 C5 C10 -158.5(2) . . . . ?
P1 Rh1 C5 C10 -10.0(2) . . . . ?
Cl1 Rh1 C5 C10 -105.3(2) . . . . ?
Cl2 Rh1 C5 C10 89.5(2) . . . . ?
C23 P1 C11 C16 -10.4(2) . . . . ?
C17 P1 C11 C16 -116.55(18) . . . . ?
Rh1 P1 C11 C16 114.50(17) . . . . ?
C23 P1 C11 C12 172.47(16) . . . . ?
C17 P1 C11 C12 66.27(18) . . . . ?
Rh1 P1 C11 C12 -62.68(17) . . . . ?
C16 C11 C12 C13 0.7(3) . . . . ?
P1 C11 C12 C13 178.02(18) . . . . ?
C11 C12 C13 C14 -1.1(4) . . . . ?
C12 C13 C14 C15 0.7(4) . . . . ?
C13 C14 C15 C16 0.2(4) . . . . ?
C12 C11 C16 C15 0.2(3) . . . . ?
P1 C11 C16 C15 -176.93(17) . . . . ?
C14 C15 C16 C11 -0.7(3) . . . . ?
C23 P1 C17 C18 81.04(18) . . . . ?
C11 P1 C17 C18 -170.13(17) . . . . ?
Rh1 P1 C17 C18 -47.86(19) . . . . ?
C23 P1 C17 C22 -94.93(19) . . . . ?
C11 P1 C17 C22 13.9(2) . . . . ?
Rh1 P1 C17 C22 136.17(16) . . . . ?
C22 C17 C18 C19 -0.4(3) . . . . ?
P1 C17 C18 C19 -176.57(18) . . . . ?
C17 C18 C19 C20 -0.7(4) . . . . ?
C18 C19 C20 C21 1.6(4) . . . . ?
C19 C20 C21 C22 -1.4(4) . . . . ?
C20 C21 C22 C17 0.3(4) . . . . ?
C18 C17 C22 C21 0.6(3) . . . . ?
P1 C17 C22 C21 176.63(19) . . . . ?
C11 P1 C23 C24 123.68(17) . . . . ?
C17 P1 C23 C24 -129.64(17) . . . . ?
Rh1 P1 C23 C24 2.26(19) . . . . ?
C11 P1 C23 C28 -57.2(2) . . . . ?
C17 P1 C23 C28 49.52(19) . . . . ?
Rh1 P1 C23 C28 -178.59(16) . . . . ?
C28 C23 C24 C25 3.2(3) . . . . ?
P1 C23 C24 C25 -177.59(18) . . . . ?
C23 C24 C25 C26 -0.8(4) . . . . ?
C24 C25 C26 C27 -1.6(4) . . . . ?
C25 C26 C27 C28 1.5(4) . . . . ?
C26 C27 C28 C23 1.0(4) . . . . ?
C24 C23 C28 C27 -3.3(3) . . . . ?
P1 C23 C28 C27 177.53(18) . . . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
C29 H29B Cl1 0.97 2.86 3.573(3) 131.4 2_645

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        27.60
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         0.851
_refine_diff_density_min         -0.711
_refine_diff_density_rms         0.078
_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent'
_solvent_exptl_crystal_recrystallization_method DCM/n-hexane
####################################################################### 
# 
# 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_lyf1
_database_code_depnum_ccdc_archive 'CCDC 1455771'
_audit_update_record             
;
2016-05-12 deposited with the CCDC.
2016-05-26 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
'2-(4-methoxyphenyl)-2-phenyl-, 1-ethyl hydrazinecarboxylic acid ester'
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C16 H18 N2 O3'
_chemical_formula_weight         286.32

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'
N N 0.0061 0.0033 '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'

_symmetry_cell_setting           Orthorhombic
_symmetry_space_group_name_H-M   Pc2(1)b

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

_cell_length_a                   9.7693(4)
_cell_length_b                   16.4783(7)
_cell_length_c                   19.4329(7)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     3128.3(2)
_cell_formula_units_Z            8
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    3980
_cell_measurement_theta_min      2.33
_cell_measurement_theta_max      18.32

_exptl_crystal_description       BLOCK
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.42
_exptl_crystal_size_min          0.42
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.216
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1216
_exptl_absorpt_coefficient_mu    0.085
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6050
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_process_details   SAINT

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEXII CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            32425
_diffrn_reflns_av_R_equivalents  0.0756
_diffrn_reflns_av_sigmaI/netI    0.0672
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         2.08
_diffrn_reflns_theta_max         27.43
_reflns_number_total             6403
_reflns_number_gt                2675
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker APEXII'
_computing_cell_refinement       'Bruker APEXII'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0804P)²+2.0300P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     SHELXL
_refine_ls_extinction_coef       0.0053(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -1(2)
_refine_ls_number_reflns         6403
_refine_ls_number_parameters     399
_refine_ls_number_restraints     4
_refine_ls_R_factor_all          0.1627
_refine_ls_R_factor_gt           0.0681
_refine_ls_wR_factor_ref         0.2424
_refine_ls_wR_factor_gt          0.1709
_refine_ls_goodness_of_fit_ref   1.005
_refine_ls_restrained_S_all      1.005
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
O1 O 0.7391(2) 0.47773(19) 0.52948(14) 0.0965(9) Uani 1 1 d . . .
O2 O 0.5673(3) 0.5530(2) 0.57516(17) 0.1195(11) Uani 1 1 d . . .
O3 O 0.6234(3) 0.11721(19) 0.64285(16) 0.1143(10) Uani 1 1 d . . .
N1 N 0.5452(3) 0.3832(2) 0.46864(15) 0.0832(9) Uani 1 1 d . . .
N2 N 0.5174(3) 0.4547(2) 0.50535(18) 0.0882(10) Uani 1 1 d . . .
H2A H 0.4353 0.4733 0.5077 0.106 Uiso 1 1 calc R . .
C1 C 0.5768(3) 0.3878(3) 0.39922(18) 0.0778(11) Uani 1 1 d . . .
C2 C 0.5851(4) 0.4619(3) 0.3647(2) 0.1072(15) Uani 1 1 d . . .
H2B H 0.5732 0.5102 0.3888 0.129 Uiso 1 1 calc R . .
C3 C 0.6103(5) 0.4635(4) 0.2968(2) 0.129(2) Uani 1 1 d . . .
H3A H 0.6183 0.5138 0.2755 0.155 Uiso 1 1 calc R . .
C4 C 0.6249(4) 0.3955(4) 0.2571(2) 0.125(2) Uani 1 1 d . . .
H4A H 0.6405 0.3985 0.2099 0.150 Uiso 1 1 calc R . .
C5 C 0.6152(4) 0.3221(4) 0.2912(2) 0.1188(18) Uani 1 1 d . . .
H5A H 0.6254 0.2742 0.2665 0.143 Uiso 1 1 calc R . .
C6 C 0.5909(3) 0.3180(3) 0.3604(2) 0.0934(13) Uani 1 1 d . . .
H6A H 0.5839 0.2676 0.3817 0.112 Uiso 1 1 calc R . .
C7 C 0.5685(3) 0.3123(2) 0.51142(18) 0.0749(10) Uani 1 1 d . . .
C8 C 0.6939(3) 0.2726(2) 0.5116(2) 0.0777(11) Uani 1 1 d . . .
H8A H 0.781(3) 0.2860(19) 0.4817(14) 0.068(8) Uiso 1 1 d . . .
C9 C 0.7152(3) 0.2070(2) 0.55350(18) 0.0817(11) Uani 1 1 d . . .
H9A H 0.7984 0.1796 0.5524 0.098 Uiso 1 1 calc R . .
C10 C 0.6125(3) 0.1817(2) 0.59734(19) 0.0810(11) Uani 1 1 d . . .
C11 C 0.4876(4) 0.2222(3) 0.5974(2) 0.0918(13) Uani 1 1 d . . .
H11A H 0.4182 0.2050 0.6267 0.110 Uiso 1 1 calc R . .
C12 C 0.4660(3) 0.2865(3) 0.55523(19) 0.0868(12) Uani 1 1 d . . .
H12A H 0.3821 0.3132 0.5558 0.104 Uiso 1 1 calc R . .
C13 C 0.7467(5) 0.0706(3) 0.6425(3) 0.143(2) Uani 1 1 d . . .
H13A H 0.7404 0.0283 0.6763 0.214 Uiso 1 1 calc R . .
H13B H 0.8229 0.1051 0.6531 0.214 Uiso 1 1 calc R . .
H13C H 0.7595 0.0469 0.5978 0.214 Uiso 1 1 calc R . .
C14 C 0.6186(4) 0.4930(3) 0.5361(2) 0.0861(12) Uani 1 1 d . . .
C15 C 0.6640(6) 0.6074(4) 0.6066(3) 0.168(2) Uani 1 1 d U . .
H15A H 0.7562 0.5882 0.5978 0.201 Uiso 1 1 calc R . .
H15B H 0.6549 0.6608 0.5862 0.201 Uiso 1 1 calc R . .
C16 C 0.6443(10) 0.6129(6) 0.6751(3) 0.233(4) Uani 1 1 d U . .
H16A H 0.7082 0.6510 0.6942 0.350 Uiso 1 1 calc R . .
H16B H 0.6580 0.5607 0.6958 0.350 Uiso 1 1 calc R . .
H16C H 0.5526 0.6311 0.6840 0.350 Uiso 1 1 calc R . .
O4 O 0.2416(2) 0.4643(2) 0.54945(15) 0.1065(10) Uani 1 1 d . . .
O5 O 0.0717(3) 0.54818(19) 0.58556(15) 0.0986(9) Uani 1 1 d . . .
O6 O 0.1375(3) 0.3913(2) 0.22295(12) 0.1029(9) Uani 1 1 d . . .
N3 N 0.0424(3) 0.35953(19) 0.50381(15) 0.0789(9) Uani 1 1 d . . .
N4 N 0.0172(3) 0.43357(18) 0.53748(15) 0.0814(9) Uani 1 1 d . . .
H4B H -0.0654 0.4486 0.5459 0.098 Uiso 1 1 calc R . .
C17 C 0.0707(3) 0.2918(2) 0.54508(17) 0.0718(10) Uani 1 1 d . . .
C18 C 0.0863(3) 0.2160(2) 0.51542(18) 0.0773(10) Uani 1 1 d . . .
H18A H 0.102(4) 0.207(2) 0.4667(16) 0.097(12) Uiso 1 1 d . . .
C19 C 0.1090(4) 0.1491(3) 0.5563(2) 0.0952(13) Uani 1 1 d . . .
H19A H 0.1220 0.0986 0.5359 0.114 Uiso 1 1 calc R . .
C20 C 0.1127(4) 0.1557(3) 0.6268(2) 0.1080(15) Uani 1 1 d . . .
H20A H 0.1274 0.1102 0.6542 0.130 Uiso 1 1 calc R . .
C21 C 0.0944(4) 0.2298(3) 0.6557(2) 0.1017(14) Uani 1 1 d . . .
H21A H 0.0947 0.2346 0.7034 0.122 Uiso 1 1 calc R . .
C22 C 0.0755(4) 0.2982(3) 0.61607(18) 0.0844(11) Uani 1 1 d . . .
H22A H 0.0660 0.3486 0.6370 0.101 Uiso 1 1 calc R . .
C23 C 0.0716(3) 0.3652(2) 0.43190(17) 0.0706(10) Uani 1 1 d . . .
C24 C -0.0262(3) 0.3975(3) 0.3890(2) 0.0803(11) Uani 1 1 d . . .
H24A H -0.104(3) 0.409(2) 0.4045(18) 0.090(11) Uiso 1 1 d . . .
C25 C -0.0027(4) 0.4062(3) 0.3192(2) 0.0883(12) Uani 1 1 d . . .
H25A H -0.096(4) 0.425(3) 0.289(2) 0.131(15) Uiso 1 1 d . . .
C26 C 0.1207(3) 0.3803(3) 0.29236(18) 0.0801(11) Uani 1 1 d . . .
C27 C 0.2203(3) 0.3477(2) 0.33515(17) 0.0766(11) Uani 1 1 d . . .
H27A H 0.3031 0.3298 0.3171 0.092 Uiso 1 1 calc R . .
C28 C 0.1946(3) 0.3421(2) 0.40456(18) 0.0763(11) Uani 1 1 d . . .
H28A H 0.266(3) 0.325(2) 0.4277(15) 0.067(9) Uiso 1 1 d . . .
C29 C 0.2572(5) 0.3575(4) 0.1919(2) 0.1173(18) Uani 1 1 d . . .
H29A H 0.2569 0.3690 0.1435 0.176 Uiso 1 1 calc R . .
H29B H 0.2579 0.2998 0.1988 0.176 Uiso 1 1 calc R . .
H29C H 0.3373 0.3808 0.2126 0.176 Uiso 1 1 calc R . .
C30 C 0.1212(4) 0.4800(3) 0.55624(19) 0.0814(11) Uani 1 1 d . . .
C31 C 0.1709(5) 0.6021(3) 0.6153(3) 0.1423(19) Uani 1 1 d DU . .
H31A H 0.2512 0.5714 0.6289 0.171 Uiso 1 1 calc R . .
H31B H 0.1988 0.6418 0.5812 0.171 Uiso 1 1 calc R . .
C32 C 0.1191(9) 0.6406(5) 0.6705(3) 0.250(4) Uani 1 1 d DU . .
H32A H 0.1866 0.6769 0.6890 0.375 Uiso 1 1 calc R . .
H32B H 0.0941 0.6014 0.7049 0.375 Uiso 1 1 calc R . .
H32C H 0.0396 0.6709 0.6571 0.375 Uiso 1 1 calc R . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
O1 C14 1.210(4) . ?
O2 C14 1.344(5) . ?
O2 C15 1.438(6) . ?
O3 C10 1.387(5) . ?
O3 C13 1.428(6) . ?
N1 C1 1.386(5) . ?
N1 N2 1.404(4) . ?
N1 C7 1.452(5) . ?
N2 C14 1.316(5) . ?
N2 H2A 0.8600 . ?
C1 C6 1.383(6) . ?
C1 C2 1.395(6) . ?
C2 C3 1.343(6) . ?
C2 H2B 0.9300 . ?
C3 C4 1.368(8) . ?
C3 H3A 0.9300 . ?
C4 C5 1.384(8) . ?
C4 H4A 0.9300 . ?
C5 C6 1.367(5) . ?
C5 H5A 0.9300 . ?
C6 H6A 0.9300 . ?
C7 C12 1.382(5) . ?
C7 C8 1.389(5) . ?
C8 C9 1.370(5) . ?
C8 H8A 1.06(3) . ?
C9 C10 1.381(5) . ?
C9 H9A 0.9300 . ?
C10 C11 1.390(5) . ?
C11 C12 1.356(6) . ?
C11 H11A 0.9300 . ?
C12 H12A 0.9300 . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C15 C16 1.347(8) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
O4 C30 1.212(4) . ?
O5 C30 1.349(5) . ?
O5 C31 1.436(5) . ?
O6 C26 1.371(4) . ?
O6 C29 1.429(5) . ?
N3 C17 1.401(5) . ?
N3 N4 1.406(4) . ?
N3 C23 1.430(4) . ?
N4 C30 1.323(5) . ?
N4 H4B 0.8600 . ?
C17 C22 1.384(5) . ?
C17 C18 1.385(5) . ?
C18 C19 1.377(6) . ?
C18 H18A 0.97(3) . ?
C19 C20 1.375(6) . ?
C19 H19A 0.9300 . ?
C20 C21 1.356(7) . ?
C20 H20A 0.9300 . ?
C21 C22 1.376(6) . ?
C21 H21A 0.9300 . ?
C22 H22A 0.9300 . ?
C23 C28 1.368(4) . ?
C23 C24 1.375(5) . ?
C24 C25 1.383(5) . ?
C24 H24A 0.84(3) . ?
C25 C26 1.381(5) . ?
C25 H25A 1.13(4) . ?
C26 C27 1.389(5) . ?
C27 C28 1.375(5) . ?
C27 H27A 0.9300 . ?
C28 H28A 0.87(3) . ?
C29 H29A 0.9600 . ?
C29 H29B 0.9600 . ?
C29 H29C 0.9600 . ?
C31 C32 1.346(7) . ?
C31 H31A 0.9700 . ?
C31 H31B 0.9700 . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?

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
C14 O2 C15 117.0(4) . . ?
C10 O3 C13 118.3(4) . . ?
C1 N1 N2 119.4(3) . . ?
C1 N1 C7 124.5(3) . . ?
N2 N1 C7 114.5(3) . . ?
C14 N2 N1 119.2(3) . . ?
C14 N2 H2A 120.4 . . ?
N1 N2 H2A 120.4 . . ?
C6 C1 N1 120.5(4) . . ?
C6 C1 C2 117.4(4) . . ?
N1 C1 C2 121.9(4) . . ?
C3 C2 C1 120.0(5) . . ?
C3 C2 H2B 120.0 . . ?
C1 C2 H2B 120.0 . . ?
C2 C3 C4 123.9(6) . . ?
C2 C3 H3A 118.0 . . ?
C4 C3 H3A 118.0 . . ?
C5 C4 C3 116.0(5) . . ?
C5 C4 H4A 122.0 . . ?
C3 C4 H4A 122.0 . . ?
C4 C5 C6 121.8(5) . . ?
C4 C5 H5A 119.1 . . ?
C6 C5 H5A 119.1 . . ?
C1 C6 C5 120.8(5) . . ?
C1 C6 H6A 119.6 . . ?
C5 C6 H6A 119.6 . . ?
C12 C7 C8 119.5(4) . . ?
C12 C7 N1 119.2(3) . . ?
C8 C7 N1 121.2(3) . . ?
C9 C8 C7 120.5(3) . . ?
C9 C8 H8A 111.6(16) . . ?
C7 C8 H8A 127.9(16) . . ?
C8 C9 C10 119.7(3) . . ?
C8 C9 H9A 120.2 . . ?
C10 C9 H9A 120.2 . . ?
C9 C10 O3 124.7(3) . . ?
C9 C10 C11 119.5(4) . . ?
O3 C10 C11 115.8(3) . . ?
C12 C11 C10 120.8(4) . . ?
C12 C11 H11A 119.6 . . ?
C10 C11 H11A 119.6 . . ?
C11 C12 C7 120.0(3) . . ?
C11 C12 H12A 120.0 . . ?
C7 C12 H12A 120.0 . . ?
O3 C13 H13A 109.5 . . ?
O3 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
O3 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
O1 C14 N2 125.7(4) . . ?
O1 C14 O2 125.1(4) . . ?
N2 C14 O2 109.2(3) . . ?
C16 C15 O2 111.6(6) . . ?
C16 C15 H15A 109.3 . . ?
O2 C15 H15A 109.3 . . ?
C16 C15 H15B 109.3 . . ?
O2 C15 H15B 109.3 . . ?
H15A C15 H15B 108.0 . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C30 O5 C31 116.3(3) . . ?
C26 O6 C29 117.5(3) . . ?
C17 N3 N4 117.3(3) . . ?
C17 N3 C23 124.9(3) . . ?
N4 N3 C23 115.6(3) . . ?
C30 N4 N3 119.8(3) . . ?
C30 N4 H4B 120.1 . . ?
N3 N4 H4B 120.1 . . ?
C22 C17 C18 118.6(4) . . ?
C22 C17 N3 121.2(3) . . ?
C18 C17 N3 120.1(3) . . ?
C19 C18 C17 120.0(4) . . ?
C19 C18 H18A 115(2) . . ?
C17 C18 H18A 124(2) . . ?
C20 C19 C18 121.0(5) . . ?
C20 C19 H19A 119.5 . . ?
C18 C19 H19A 119.5 . . ?
C21 C20 C19 118.7(5) . . ?
C21 C20 H20A 120.6 . . ?
C19 C20 H20A 120.6 . . ?
C20 C21 C22 121.5(4) . . ?
C20 C21 H21A 119.2 . . ?
C22 C21 H21A 119.2 . . ?
C21 C22 C17 120.0(4) . . ?
C21 C22 H22A 120.0 . . ?
C17 C22 H22A 120.0 . . ?
C28 C23 C24 118.9(3) . . ?
C28 C23 N3 122.5(3) . . ?
C24 C23 N3 118.6(3) . . ?
C23 C24 C25 121.2(3) . . ?
C23 C24 H24A 120(2) . . ?
C25 C24 H24A 119(2) . . ?
C26 C25 C24 119.0(3) . . ?
C26 C25 H25A 126(2) . . ?
C24 C25 H25A 114(2) . . ?
O6 C26 C25 115.9(3) . . ?
O6 C26 C27 123.8(3) . . ?
C25 C26 C27 120.3(3) . . ?
C28 C27 C26 119.0(3) . . ?
C28 C27 H27A 120.5 . . ?
C26 C27 H27A 120.5 . . ?
C23 C28 C27 121.5(3) . . ?
C23 C28 H28A 126.1(19) . . ?
C27 C28 H28A 112.3(19) . . ?
O6 C29 H29A 109.5 . . ?
O6 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
O6 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
O4 C30 N4 126.3(4) . . ?
O4 C30 O5 124.9(4) . . ?
N4 C30 O5 108.9(3) . . ?
C32 C31 O5 111.0(5) . . ?
C32 C31 H31A 109.4 . . ?
O5 C31 H31A 109.4 . . ?
C32 C31 H31B 109.4 . . ?
O5 C31 H31B 109.4 . . ?
H31A C31 H31B 108.0 . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 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
C1 N1 N2 C14 -90.6(4) . . . . ?
C7 N1 N2 C14 75.8(4) . . . . ?
N2 N1 C1 C6 -173.5(3) . . . . ?
C7 N1 C1 C6 21.5(5) . . . . ?
N2 N1 C1 C2 1.5(5) . . . . ?
C7 N1 C1 C2 -163.5(3) . . . . ?
C6 C1 C2 C3 -2.0(5) . . . . ?
N1 C1 C2 C3 -177.2(4) . . . . ?
C1 C2 C3 C4 2.1(7) . . . . ?
C2 C3 C4 C5 -1.4(7) . . . . ?
C3 C4 C5 C6 0.6(6) . . . . ?
N1 C1 C6 C5 176.6(3) . . . . ?
C2 C1 C6 C5 1.4(5) . . . . ?
C4 C5 C6 C1 -0.7(6) . . . . ?
C1 N1 C7 C12 -134.3(4) . . . . ?
N2 N1 C7 C12 60.1(4) . . . . ?
C1 N1 C7 C8 49.0(5) . . . . ?
N2 N1 C7 C8 -116.7(4) . . . . ?
C12 C7 C8 C9 1.6(6) . . . . ?
N1 C7 C8 C9 178.4(3) . . . . ?
C7 C8 C9 C10 -1.9(6) . . . . ?
C8 C9 C10 O3 -178.7(4) . . . . ?
C8 C9 C10 C11 1.3(6) . . . . ?
C13 O3 C10 C9 -3.3(6) . . . . ?
C13 O3 C10 C11 176.7(4) . . . . ?
C9 C10 C11 C12 -0.4(6) . . . . ?
O3 C10 C11 C12 179.6(4) . . . . ?
C10 C11 C12 C7 0.1(6) . . . . ?
C8 C7 C12 C11 -0.7(6) . . . . ?
N1 C7 C12 C11 -177.6(4) . . . . ?
N1 N2 C14 O1 9.2(6) . . . . ?
N1 N2 C14 O2 -172.1(3) . . . . ?
C15 O2 C14 O1 5.6(7) . . . . ?
C15 O2 C14 N2 -173.1(4) . . . . ?
C14 O2 C15 C16 -126.6(7) . . . . ?
C17 N3 N4 C30 84.3(4) . . . . ?
C23 N3 N4 C30 -79.9(4) . . . . ?
N4 N3 C17 C22 -0.9(5) . . . . ?
C23 N3 C17 C22 161.7(3) . . . . ?
N4 N3 C17 C18 175.2(3) . . . . ?
C23 N3 C17 C18 -22.2(5) . . . . ?
C22 C17 C18 C19 -1.3(5) . . . . ?
N3 C17 C18 C19 -177.5(3) . . . . ?
C17 C18 C19 C20 1.9(6) . . . . ?
C18 C19 C20 C21 -0.5(6) . . . . ?
C19 C20 C21 C22 -1.4(7) . . . . ?
C20 C21 C22 C17 2.0(6) . . . . ?
C18 C17 C22 C21 -0.5(5) . . . . ?
N3 C17 C22 C21 175.7(3) . . . . ?
C17 N3 C23 C28 -46.0(5) . . . . ?
N4 N3 C23 C28 116.9(4) . . . . ?
C17 N3 C23 C24 136.0(4) . . . . ?
N4 N3 C23 C24 -61.1(4) . . . . ?
C28 C23 C24 C25 0.6(6) . . . . ?
N3 C23 C24 C25 178.6(4) . . . . ?
C23 C24 C25 C26 1.2(6) . . . . ?
C29 O6 C26 C25 -173.3(4) . . . . ?
C29 O6 C26 C27 8.5(6) . . . . ?
C24 C25 C26 O6 -179.5(4) . . . . ?
C24 C25 C26 C27 -1.2(6) . . . . ?
O6 C26 C27 C28 177.6(4) . . . . ?
C25 C26 C27 C28 -0.6(6) . . . . ?
C24 C23 C28 C27 -2.4(6) . . . . ?
N3 C23 C28 C27 179.6(4) . . . . ?
C26 C27 C28 C23 2.4(6) . . . . ?
N3 N4 C30 O4 -2.6(6) . . . . ?
N3 N4 C30 O5 178.3(3) . . . . ?
C31 O5 C30 O4 -5.1(6) . . . . ?
C31 O5 C30 N4 174.0(4) . . . . ?
C30 O5 C31 C32 -147.4(5) . . . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
C15 H15A O1 0.97 2.26 2.711(7) 107.4 .
C31 H31A O4 0.97 2.35 2.697(6) 100.4 .
N2 H2A O4 0.86 2.06 2.831(4) 148.3 .
N4 H4B O1 0.86 2.00 2.817(3) 159.7 1_455

_diffrn_measured_fraction_theta_max 0.996
_diffrn_reflns_theta_full        27.43
_diffrn_measured_fraction_theta_full 0.996
_refine_diff_density_max         0.481
_refine_diff_density_min         -0.175
_refine_diff_density_rms         0.046

