#------------------------------------------------------------------------------
#$Date: 2018-10-05 15:19:55 +0300 (Fri, 05 Oct 2018) $
#$Revision: 211332 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/01/41/7014166.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7014166
loop_
_publ_author_name
'Mokuolu, Q. Folashade'
'Duckmanton, Paul A.'
'Hitchcock, Peter B.'
'Wilson, Claire'
'Blake, Alexander J.'
'Shukla, Lena'
'Love, Jason B.'
_publ_section_title
;
 Early-late, mixed-metal compounds supported by amidophosphine ligands.
;
_journal_issue                   13
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1960
_journal_page_last               1970
_journal_paper_doi               10.1039/b402409e
_journal_year                    2004
_chemical_formula_sum            'C57 H70 Cl7 N2 O P2 Rh Ti'
_chemical_formula_weight         1260.05
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   'difference Fourier'
_audit_creation_method           SHELXL-97
_cell_angle_alpha                108.187(2)
_cell_angle_beta                 108.333(2)
_cell_angle_gamma                104.021(2)
_cell_formula_units_Z            2
_cell_length_a                   11.7085(11)
_cell_length_b                   16.9770(15)
_cell_length_c                   17.5902(16)
_cell_measurement_reflns_used    7172
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      28.6
_cell_measurement_theta_min      2.2
_cell_volume                     2919.9(5)
_computing_cell_refinement       'Bruker SAINT version 6.02a (Bruker, 2000)'
_computing_data_collection       'Bruker SMART version 5.624 (Bruker, 2001)'
_computing_data_reduction        'Bruker SAINT; Bruker SHELXTL (Bruker, 1997)'
_computing_publication_material  'SHELXL-97; PLATON (Spek, 2002)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution
;
SIR92 - A program for crystal structure solution. Altomare, A.; Cascarano,
G.;Giacovazzo, C.; Guagliardi, A. J. Appl. Crystallogr. 1993, 26, 343-350.
;
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.944
_diffrn_measured_fraction_theta_max 0.853
_diffrn_measurement_device_type  'Bruker SMART1000 CCD area detector'
_diffrn_measurement_method       omega
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.028
_diffrn_reflns_av_sigmaI/netI    0.0488
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            24508
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         28.82
_diffrn_reflns_theta_min         1.86
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.835
_exptl_absorpt_correction_T_max  1.00
_exptl_absorpt_correction_T_min  0.925
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Sadabs v2.03'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.433
_exptl_crystal_density_meas      0
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       column
_exptl_crystal_F_000             1300
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.791
_refine_diff_density_min         -0.697
_refine_diff_density_rms         0.084
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.009
_refine_ls_hydrogen_treatment    'riding model'
_refine_ls_matrix_type           full
_refine_ls_number_parameters     640
_refine_ls_number_reflns         13010
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.009
_refine_ls_R_factor_all          0.0669
_refine_ls_R_factor_gt           0.0411
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0411P)²+4.0276P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0919
_refine_ls_wR_factor_ref         0.1045
_reflns_number_gt                9576
_reflns_number_total             13013
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b402409e.txt
_cod_data_source_block           rhnpti
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_atom_sites_solution_hydrogens' value 'geometrically placed' was
changed to 'geom'.

Automatic conversion script
Id: cif_fix_values 6452 2018-10-05 10:23:21Z andrius 
;
_cod_original_cell_volume        2919.9(8)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7014166
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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 -0.08496(2) -0.367429(16) 0.360917(15) 0.02029(7) Uani 1 1 d . . .
Ti1 Ti -0.09061(5) -0.17581(4) 0.83989(4) 0.02067(12) Uani 1 1 d . . .
P1 P -0.08439(8) -0.26373(5) 0.48396(5) 0.01968(16) Uani 1 1 d . . .
Cl1 Cl -0.15033(9) -0.11326(6) 0.94565(6) 0.03338(19) Uani 1 1 d . . .
O1 O -0.3219(3) -0.35948(19) 0.24724(17) 0.0441(7) Uani 1 1 d . . .
N1 N -0.2354(2) -0.26557(17) 0.73813(16) 0.0212(5) Uani 1 1 d . . .
C1 C -0.4606(3) -0.2696(3) 0.6562(2) 0.0335(8) Uani 1 1 d . . .
Cl2 Cl -0.02314(8) -0.06189(5) 0.80246(5) 0.02794(17) Uani 1 1 d . . .
N2 N 0.0492(2) -0.21128(16) 0.88092(16) 0.0194(5) Uani 1 1 d . . .
C2 C -0.5887(4) -0.2713(3) 0.6640(3) 0.0470(10) Uani 1 1 d . . .
H2A H -0.6439 -0.2624 0.6151 0.071 Uiso 1 1 calc R . .
H2B H -0.5696 -0.2233 0.7202 0.071 Uiso 1 1 calc R . .
H2C H -0.6341 -0.3292 0.6617 0.071 Uiso 1 1 calc R . .
Cl3 Cl 0.08551(8) -0.38462(5) 0.46205(5) 0.03115(18) Uani 1 1 d . . .
C3 C -0.4965(3) -0.3364(3) 0.5625(2) 0.0394(9) Uani 1 1 d . . .
H3A H -0.5524 -0.3211 0.5195 0.059 Uiso 1 1 calc R . .
H3B H -0.5429 -0.3970 0.5542 0.059 Uiso 1 1 calc R . .
H3C H -0.4173 -0.3338 0.5538 0.059 Uiso 1 1 calc R . .
C4 C -0.3916(4) -0.1746(3) 0.6670(3) 0.0391(9) Uani 1 1 d . . .
H4A H -0.4455 -0.1638 0.6192 0.059 Uiso 1 1 calc R . .
H4B H -0.3075 -0.1690 0.6649 0.059 Uiso 1 1 calc R . .
H4C H -0.3780 -0.1307 0.7240 0.059 Uiso 1 1 calc R . .
C5 C -0.3706(3) -0.2837(2) 0.7343(2) 0.0270(7) Uani 1 1 d . . .
H5A H -0.3561 -0.2314 0.7875 0.032 Uiso 1 1 calc R . .
C6 C -0.5078(4) -0.3452(3) 0.8059(3) 0.0527(12) Uani 1 1 d . . .
H6A H -0.5417 -0.3961 0.8185 0.079 Uiso 1 1 calc R . .
H6B H -0.5805 -0.3346 0.7701 0.079 Uiso 1 1 calc R . .
H6C H -0.4538 -0.2917 0.8615 0.079 Uiso 1 1 calc R . .
P2 P 0.07305(8) -0.53290(5) 0.76004(5) 0.02041(17) Uani 1 1 d . . .
C7 C -0.4252(3) -0.3662(3) 0.7548(2) 0.0339(8) Uani 1 1 d . . .
C8 C -0.5078(4) -0.4567(3) 0.6746(3) 0.0427(10) Uani 1 1 d . . .
H8A H -0.5363 -0.5026 0.6946 0.064 Uiso 1 1 calc R . .
H8B H -0.4559 -0.4732 0.6427 0.064 Uiso 1 1 calc R . .
H8C H -0.5840 -0.4521 0.6352 0.064 Uiso 1 1 calc R . .
C9 C -0.3120(3) -0.3749(3) 0.8204(2) 0.0361(8) Uani 1 1 d . . .
H9A H -0.3454 -0.4258 0.8331 0.054 Uiso 1 1 calc R . .
H9B H -0.2676 -0.3199 0.8753 0.054 Uiso 1 1 calc R . .
H9C H -0.2506 -0.3846 0.7949 0.054 Uiso 1 1 calc R . .
C10 C 0.2776(3) -0.0512(2) 0.9375(2) 0.0301(7) Uani 1 1 d . . .
H10A H 0.3650 -0.0197 0.9447 0.045 Uiso 1 1 calc R . .
H10B H 0.2411 -0.0075 0.9592 0.045 Uiso 1 1 calc R . .
H10C H 0.2219 -0.0901 0.8748 0.045 Uiso 1 1 calc R . .
C11 C 0.3695(3) -0.0410(2) 1.0875(2) 0.0369(8) Uani 1 1 d . . .
H11A H 0.4574 -0.0104 1.0949 0.055 Uiso 1 1 calc R . .
H11B H 0.3737 -0.0734 1.1251 0.055 Uiso 1 1 calc R . .
H11C H 0.3313 0.0032 1.1045 0.055 Uiso 1 1 calc R . .
C12 C 0.1439(4) -0.1351(3) 1.1278(2) 0.0385(9) Uani 1 1 d . . .
H12A H 0.1319 -0.1643 1.1663 0.058 Uiso 1 1 calc R . .
H12B H 0.0806 -0.1067 1.1168 0.058 Uiso 1 1 calc R . .
H12C H 0.2321 -0.0896 1.1563 0.058 Uiso 1 1 calc R . .
C13 C 0.2849(3) -0.1079(2) 0.9901(2) 0.0261(7) Uani 1 1 d . . .
C14 C 0.3587(3) -0.1675(2) 0.9622(2) 0.0308(7) Uani 1 1 d . . .
H14A H 0.4451 -0.1296 0.9730 0.046 Uiso 1 1 calc R . .
H14B H 0.3101 -0.2077 0.8992 0.046 Uiso 1 1 calc R . .
H14C H 0.3676 -0.2030 0.9967 0.046 Uiso 1 1 calc R . .
C16 C 0.1236(3) -0.2056(2) 1.0395(2) 0.0275(7) Uani 1 1 d . . .
C18 C 0.2140(4) -0.2555(2) 1.0600(2) 0.0351(8) Uani 1 1 d . . .
H18A H 0.1949 -0.2826 1.0985 0.053 Uiso 1 1 calc R . .
H18B H 0.3045 -0.2133 1.0897 0.053 Uiso 1 1 calc R . .
H18C H 0.2001 -0.3025 1.0048 0.053 Uiso 1 1 calc R . .
C17 C -0.0162(3) -0.2718(2) 1.0007(2) 0.0299(7) Uani 1 1 d . . .
H17A H -0.0254 -0.3001 1.0404 0.045 Uiso 1 1 calc R . .
H17B H -0.0373 -0.3179 0.9428 0.045 Uiso 1 1 calc R . .
H17C H -0.0756 -0.2399 0.9941 0.045 Uiso 1 1 calc R . .
C21 C 0.0897(3) -0.4225(2) 0.76202(19) 0.0209(6) Uani 1 1 d . . .
C19 C 0.0736(3) -0.27813(19) 0.82112(19) 0.0190(6) Uani 1 1 d . . .
C22 C 0.1207(3) -0.4018(2) 0.69830(19) 0.0209(6) Uani 1 1 d . . .
H22A H 0.1389 -0.4430 0.6576 0.025 Uiso 1 1 calc R . .
C24 C 0.1012(3) -0.2601(2) 0.75512(19) 0.0201(6) Uani 1 1 d . . .
H24A H 0.1040 -0.2050 0.7517 0.024 Uiso 1 1 calc R . .
C20 C 0.0657(3) -0.36048(19) 0.82295(19) 0.0197(6) Uani 1 1 d . . .
H20A H 0.0439 -0.3749 0.8659 0.024 Uiso 1 1 calc R . .
C23 C 0.1246(3) -0.3210(2) 0.6949(2) 0.0221(6) Uani 1 1 d . . .
H23A H 0.1436 -0.3073 0.6507 0.027 Uiso 1 1 calc R . .
C26 C 0.2986(3) -0.4305(2) 0.9202(2) 0.0288(7) Uani 1 1 d . . .
H26A H 0.3057 -0.3823 0.9031 0.035 Uiso 1 1 calc R . .
C25 C 0.1963(3) -0.5112(2) 0.8663(2) 0.0251(7) Uani 1 1 d . . .
C15 C 0.1430(3) -0.1576(2) 0.9771(2) 0.0228(6) Uani 1 1 d . . .
H15A H 0.1135 -0.1072 0.9957 0.027 Uiso 1 1 calc R . .
C27 C 0.3914(4) -0.4187(3) 0.9989(2) 0.0371(8) Uani 1 1 d . . .
H27A H 0.4604 -0.3622 1.0360 0.045 Uiso 1 1 calc R . .
C28 C 0.3842(4) -0.4884(3) 1.0237(2) 0.0406(9) Uani 1 1 d . . .
H28A H 0.4481 -0.4797 1.0779 0.049 Uiso 1 1 calc R . .
C29 C 0.2846(4) -0.5705(3) 0.9700(2) 0.0378(9) Uani 1 1 d . . .
H29A H 0.2801 -0.6189 0.9867 0.045 Uiso 1 1 calc R . .
C30 C 0.1911(4) -0.5824(2) 0.8915(2) 0.0318(8) Uani 1 1 d . . .
H30A H 0.1227 -0.6392 0.8542 0.038 Uiso 1 1 calc R . .
C31 C -0.0782(3) -0.5660(2) 0.7726(2) 0.0251(7) Uani 1 1 d . . .
C35 C -0.1950(4) -0.5657(3) 0.8637(3) 0.0405(9) Uani 1 1 d . . .
H35A H -0.1950 -0.5532 0.9202 0.049 Uiso 1 1 calc R . .
C32 C -0.1949(4) -0.6032(3) 0.6995(3) 0.0409(9) Uani 1 1 d . . .
H32A H -0.1963 -0.6171 0.6425 0.049 Uiso 1 1 calc R . .
C34 C -0.3113(4) -0.6034(3) 0.7894(3) 0.0451(10) Uani 1 1 d . . .
H34A H -0.3913 -0.6172 0.7948 0.054 Uiso 1 1 calc R . .
C33 C -0.3112(4) -0.6205(3) 0.7086(3) 0.0499(11) Uani 1 1 d . . .
H33A H -0.3912 -0.6446 0.6579 0.060 Uiso 1 1 calc R . .
C36 C -0.0783(4) -0.5463(2) 0.8559(2) 0.0340(8) Uani 1 1 d . . .
H36A H 0.0015 -0.5195 0.9072 0.041 Uiso 1 1 calc R . .
C37 C -0.2128(3) -0.3141(2) 0.66527(19) 0.0207(6) Uani 1 1 d . . .
C38 C -0.2299(3) -0.4044(2) 0.6407(2) 0.0247(7) Uani 1 1 d . . .
H38A H -0.2571 -0.4348 0.6729 0.030 Uiso 1 1 calc R . .
C39 C -0.2075(3) -0.4494(2) 0.5705(2) 0.0262(7) Uani 1 1 d . . .
H39A H -0.2211 -0.5110 0.5539 0.031 Uiso 1 1 calc R . .
C40 C -0.1657(3) -0.4063(2) 0.5238(2) 0.0242(7) Uani 1 1 d . . .
H40A H -0.1526 -0.4386 0.4746 0.029 Uiso 1 1 calc R . .
C41 C -0.1426(3) -0.31557(19) 0.54854(19) 0.0201(6) Uani 1 1 d . . .
C42 C -0.1676(3) -0.2704(2) 0.61900(19) 0.0205(6) Uani 1 1 d . . .
H42A H -0.1536 -0.2088 0.6357 0.025 Uiso 1 1 calc R . .
C44 C 0.1105(3) -0.1216(2) 0.6437(2) 0.0308(8) Uani 1 1 d . . .
H44A H 0.0452 -0.1239 0.6651 0.037 Uiso 1 1 calc R . .
C45 C 0.2374(4) -0.0615(2) 0.6992(2) 0.0384(9) Uani 1 1 d . . .
H45A H 0.2588 -0.0239 0.7586 0.046 Uiso 1 1 calc R . .
C46 C 0.3317(4) -0.0566(2) 0.6684(3) 0.0401(9) Uani 1 1 d . . .
H46A H 0.4188 -0.0168 0.7069 0.048 Uiso 1 1 calc R . .
C48 C 0.1744(3) -0.1706(2) 0.5265(2) 0.0286(7) Uani 1 1 d . . .
H48A H 0.1535 -0.2078 0.4671 0.034 Uiso 1 1 calc R . .
C47 C 0.3003(3) -0.1093(2) 0.5816(3) 0.0355(8) Uani 1 1 d . . .
H47A H 0.3649 -0.1036 0.5595 0.043 Uiso 1 1 calc R . .
C43 C 0.0784(3) -0.1783(2) 0.5575(2) 0.0226(6) Uani 1 1 d . . .
C52 C -0.3377(4) -0.1035(2) 0.4206(2) 0.0344(8) Uani 1 1 d . . .
H52A H -0.3910 -0.0718 0.4047 0.041 Uiso 1 1 calc R . .
C51 C -0.2097(4) -0.0733(2) 0.4333(2) 0.0328(8) Uani 1 1 d . . .
H51A H -0.1745 -0.0203 0.4271 0.039 Uiso 1 1 calc R . .
C49 C -0.1833(3) -0.1979(2) 0.46411(19) 0.0210(6) Uani 1 1 d . . .
C50 C -0.1328(3) -0.1200(2) 0.4551(2) 0.0281(7) Uani 1 1 d . . .
H50A H -0.0446 -0.0988 0.4641 0.034 Uiso 1 1 calc R . .
C53 C -0.3877(4) -0.1792(2) 0.4309(3) 0.0367(8) Uani 1 1 d . . .
H53A H -0.4749 -0.1988 0.4242 0.044 Uiso 1 1 calc R . .
C54 C -0.3119(3) -0.2273(2) 0.4510(2) 0.0314(8) Uani 1 1 d . . .
H54A H -0.3484 -0.2810 0.4559 0.038 Uiso 1 1 calc R . .
C55 C -0.2292(4) -0.3610(2) 0.2893(2) 0.0296(7) Uani 1 1 d . . .
C1S C -0.2706(5) -0.1810(4) 0.1930(4) 0.0744(15) Uani 1 1 d . . .
H1SA H -0.2043 -0.1279 0.2470 0.089 Uiso 1 1 calc R . .
H1SB H -0.2565 -0.2348 0.1977 0.089 Uiso 1 1 calc R . .
Cl1S Cl -0.2510(2) -0.17270(12) 0.10269(13) 0.1091(6) Uani 1 1 d . . .
Cl2S Cl -0.42465(12) -0.18811(9) 0.18673(9) 0.0718(4) Uani 1 1 d . . .
C2S C 0.2008(4) -0.0304(4) 0.3475(3) 0.0625(13) Uani 1 1 d . . .
H2SA H 0.1817 -0.0202 0.2932 0.075 Uiso 1 1 calc R . .
H2SB H 0.2078 0.0234 0.3949 0.075 Uiso 1 1 calc R . .
Cl3S Cl 0.34760(13) -0.04438(11) 0.37774(9) 0.0749(4) Uani 1 1 d . . .
Cl4S Cl 0.07297(14) -0.12281(15) 0.32868(10) 0.1023(6) Uani 1 1 d . . .
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'
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'
Ti Ti 0.2776 0.4457 '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'
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
C55 Rh1 P1 90.73(10) . . ?
C55 Rh1 P2 91.42(10) . 2_546 ?
P1 Rh1 P2 176.76(3) . 2_546 ?
C55 Rh1 Cl3 172.37(11) . . ?
P1 Rh1 Cl3 86.29(3) . . ?
P2 Rh1 Cl3 91.88(3) 2_546 . ?
N1 Ti1 N2 114.61(11) . . ?
N1 Ti1 Cl1 110.96(8) . . ?
N2 Ti1 Cl1 112.99(8) . . ?
N1 Ti1 Cl2 105.73(8) . . ?
N2 Ti1 Cl2 108.97(8) . . ?
Cl1 Ti1 Cl2 102.58(4) . . ?
C49 P1 C43 103.15(14) . . ?
C49 P1 C41 103.99(14) . . ?
C43 P1 C41 107.80(14) . . ?
C49 P1 Rh1 116.99(10) . . ?
C43 P1 Rh1 111.52(10) . . ?
C41 P1 Rh1 112.53(10) . . ?
C37 N1 C5 122.0(2) . . ?
C37 N1 Ti1 117.78(19) . . ?
C5 N1 Ti1 120.2(2) . . ?
C3 C1 C4 108.7(3) . . ?
C3 C1 C2 107.3(3) . . ?
C4 C1 C2 105.9(3) . . ?
C3 C1 C5 116.7(3) . . ?
C4 C1 C5 107.5(3) . . ?
C2 C1 C5 110.2(3) . . ?
C19 N2 C15 121.9(2) . . ?
C19 N2 Ti1 121.39(19) . . ?
C15 N2 Ti1 116.22(18) . . ?
N1 C5 C1 111.3(3) . . ?
N1 C5 C7 114.8(3) . . ?
C1 C5 C7 120.3(3) . . ?
C25 P2 C21 105.05(14) . . ?
C25 P2 C31 103.01(15) . . ?
C21 P2 C31 101.73(14) . . ?
C25 P2 Rh1 113.56(11) . 2_546 ?
C21 P2 Rh1 115.11(10) . 2_546 ?
C31 P2 Rh1 116.76(11) . 2_546 ?
C9 C7 C8 109.8(3) . . ?
C9 C7 C6 103.6(3) . . ?
C8 C7 C6 107.8(3) . . ?
C9 C7 C5 109.3(3) . . ?
C8 C7 C5 116.2(3) . . ?
C6 C7 C5 109.4(3) . . ?
C10 C13 C11 105.7(3) . . ?
C10 C13 C14 107.9(3) . . ?
C11 C13 C14 107.7(3) . . ?
C10 C13 C15 108.2(3) . . ?
C11 C13 C15 110.1(3) . . ?
C14 C13 C15 116.7(3) . . ?
C17 C16 C18 107.7(3) . . ?
C17 C16 C12 104.8(3) . . ?
C18 C16 C12 107.9(3) . . ?
C17 C16 C15 111.2(3) . . ?
C18 C16 C15 115.4(3) . . ?
C12 C16 C15 109.1(3) . . ?
C22 C21 C20 119.8(3) . . ?
C22 C21 P2 118.7(2) . . ?
C20 C21 P2 121.4(2) . . ?
C20 C19 C24 118.4(3) . . ?
C20 C19 N2 123.9(3) . . ?
C24 C19 N2 117.6(3) . . ?
C23 C22 C21 119.5(3) . . ?
C23 C24 C19 121.2(3) . . ?
C19 C20 C21 120.6(3) . . ?
C24 C23 C22 120.4(3) . . ?
C25 C26 C27 120.7(3) . . ?
C26 C25 C30 118.4(3) . . ?
C26 C25 P2 123.3(3) . . ?
C30 C25 P2 118.2(3) . . ?
N2 C15 C13 112.6(2) . . ?
N2 C15 C16 114.3(2) . . ?
C13 C15 C16 119.2(3) . . ?
C28 C27 C26 120.4(4) . . ?
C27 C28 C29 120.1(3) . . ?
C28 C29 C30 119.7(4) . . ?
C29 C30 C25 120.6(3) . . ?
C32 C31 C36 119.0(3) . . ?
C32 C31 P2 119.3(3) . . ?
C36 C31 P2 121.4(3) . . ?
C34 C35 C36 120.2(4) . . ?
C31 C32 C33 120.3(4) . . ?
C33 C34 C35 119.8(4) . . ?
C34 C33 C32 120.7(4) . . ?
C35 C36 C31 120.0(4) . . ?
C42 C37 C38 118.3(3) . . ?
C42 C37 N1 120.0(3) . . ?
C38 C37 N1 121.7(3) . . ?
C39 C38 C37 120.5(3) . . ?
C38 C39 C40 120.8(3) . . ?
C39 C40 C41 120.3(3) . . ?
C40 C41 C42 118.7(3) . . ?
C40 C41 P1 117.1(2) . . ?
C42 C41 P1 124.1(2) . . ?
C37 C42 C41 121.3(3) . . ?
C43 C44 C45 120.6(3) . . ?
C46 C45 C44 120.0(3) . . ?
C45 C46 C47 120.2(3) . . ?
C47 C48 C43 120.6(3) . . ?
C46 C47 C48 119.9(4) . . ?
C44 C43 C48 118.5(3) . . ?
C44 C43 P1 122.4(3) . . ?
C48 C43 P1 119.0(2) . . ?
C53 C52 C51 119.8(3) . . ?
C52 C51 C50 120.1(3) . . ?
C54 C49 C50 118.7(3) . . ?
C54 C49 P1 121.2(2) . . ?
C50 C49 P1 119.9(2) . . ?
C51 C50 C49 120.5(3) . . ?
C52 C53 C54 120.4(3) . . ?
C53 C54 C49 120.4(3) . . ?
O1 C55 Rh1 176.0(3) . . ?
Cl1S C1S Cl2S 112.3(3) . . ?
Cl3S C2S Cl4S 112.3(3) . . ?
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 C55 1.813(4) . ?
Rh1 P1 2.3218(8) . ?
Rh1 P2 2.3374(8) 2_546 ?
Rh1 Cl3 2.3678(8) . ?
Ti1 N1 1.881(3) . ?
Ti1 N2 1.889(3) . ?
Ti1 Cl1 2.2410(9) . ?
Ti1 Cl2 2.2760(10) . ?
P1 C49 1.825(3) . ?
P1 C43 1.830(3) . ?
P1 C41 1.830(3) . ?
O1 C55 1.116(4) . ?
N1 C37 1.432(4) . ?
N1 C5 1.513(4) . ?
C1 C3 1.532(5) . ?
C1 C4 1.538(5) . ?
C1 C2 1.543(5) . ?
C1 C5 1.573(5) . ?
N2 C19 1.441(4) . ?
N2 C15 1.510(4) . ?
C5 C7 1.589(5) . ?
C6 C7 1.544(5) . ?
P2 C25 1.825(3) . ?
P2 C21 1.826(3) . ?
P2 C31 1.829(3) . ?
P2 Rh1 2.3374(8) 2_546 ?
C7 C9 1.534(5) . ?
C7 C8 1.535(5) . ?
C10 C13 1.527(5) . ?
C11 C13 1.543(4) . ?
C12 C16 1.539(5) . ?
C13 C14 1.546(4) . ?
C13 C15 1.578(4) . ?
C16 C17 1.529(5) . ?
C16 C18 1.534(5) . ?
C16 C15 1.594(4) . ?
C21 C22 1.397(4) . ?
C21 C20 1.401(4) . ?
C19 C20 1.390(4) . ?
C19 C24 1.398(4) . ?
C22 C23 1.382(4) . ?
C24 C23 1.379(4) . ?
C26 C25 1.375(5) . ?
C26 C27 1.383(5) . ?
C25 C30 1.406(5) . ?
C27 C28 1.375(6) . ?
C28 C29 1.376(6) . ?
C29 C30 1.384(5) . ?
C31 C32 1.375(5) . ?
C31 C36 1.398(5) . ?
C35 C34 1.381(6) . ?
C35 C36 1.386(5) . ?
C32 C33 1.392(5) . ?
C34 C33 1.359(6) . ?
C37 C42 1.396(4) . ?
C37 C38 1.400(4) . ?
C38 C39 1.374(5) . ?
C39 C40 1.381(4) . ?
C40 C41 1.393(4) . ?
C41 C42 1.398(4) . ?
C44 C43 1.387(4) . ?
C44 C45 1.390(5) . ?
C45 C46 1.371(6) . ?
C46 C47 1.379(6) . ?
C48 C47 1.387(5) . ?
C48 C43 1.391(4) . ?
C52 C53 1.369(5) . ?
C52 C51 1.379(5) . ?
C51 C50 1.382(5) . ?
C49 C54 1.385(5) . ?
C49 C50 1.389(4) . ?
C53 C54 1.384(5) . ?
C1S Cl1S 1.717(6) . ?
C1S Cl2S 1.744(5) . ?
C2S Cl3S 1.731(5) . ?
C2S Cl4S 1.743(6) . ?
