# Supplementary Material (ESI) for New Journal of Chemistry
# This journal is © The Royal Society of Chemistry and 
# The Centre National de la Recherche Scientifique, 2001
# CCDC Number: 440/204

data_9

_publ_contact_author    'Sandra Loss'
_publ_contact_author_email      'loss@inorg.chem.ethz.ch'

loop_
_publ_author_name       'Stephan Deblon'
			'Hartmut Schoenberg'
			'Heinz Ruegger'
			'Sandra Loss'
			'Hansjoerg Gruetzmacher'

_journal_name_full      'New Journal of Chemistry'
_journal_volume         ?
_journal_page_first     ?
_journal_page_last      ?
_journal_year           ?
_ccdc_journal_depnumber ?

_audit_creation_method            SHELXL
_chemical_name_systematic
;
 ?
;
_chemical_name_common
'Bis-(Methyltropp)rhodium-hexafluorophosphate'
_chemical_formula_moiety          ?
_chemical_formula_structural      ?
_chemical_formula_analytical      ?
_chemical_formula_sum             'C58 H49 F6 N P3 Rh'
_chemical_formula_weight          1069.80
_chemical_melting_point           ?
_chemical_compound_source         ?

_ccdc_compound_id       ''
_ccdc_biological_activity       ?
_ccdc_polymorph                 ?

_ccdc_chemdiag_type     ?

_ccdc_chemdiag_records       ?

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'
 'F'  'F'   0.0171   0.0103
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'P'  'P'   0.1023   0.0942
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Rh'  'Rh'  -1.1178   0.9187
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'N'  'N'   0.0061   0.0033
 '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                    10.844(2)
_cell_length_b                    20.697(4)
_cell_length_c                    22.722(5)
_cell_angle_alpha                 91.629(13)
_cell_angle_beta                  91.462(13)
_cell_angle_gamma                 101.890(12)
_cell_volume                      4985.7(17)
_cell_formula_units_Z             4
_cell_measurement_temperature     293(2)
_cell_measurement_reflns_used     ?
_cell_measurement_theta_min       ?
_cell_measurement_theta_max       ?

_exptl_crystal_description        prism
_exptl_crystal_colour             red-violet
_exptl_crystal_size_max           0.65
_exptl_crystal_size_mid           0.35
_exptl_crystal_size_min           0.15
_exptl_crystal_density_meas       ?
_exptl_crystal_density_diffrn     1.425
_exptl_crystal_density_method     ?
_exptl_crystal_F_000              2192
_exptl_absorpt_coefficient_mu     0.501
_exptl_absorpt_correction_type    'not applied'
_exptl_absorpt_correction_T_min   ?
_exptl_absorpt_correction_T_max   ?

_exptl_special_details
;
 ?
;

_diffrn_ambient_temperature       293(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        'Stoe Image Plate System'
_diffrn_measurement_method        ?
_diffrn_standards_number          ?
_diffrn_standards_interval_count  ?
_diffrn_standards_interval_time   ?
_diffrn_standards_decay_%         ?
_diffrn_reflns_number             28990
_diffrn_reflns_av_R_equivalents   0.0378
_diffrn_reflns_av_sigmaI/netI     0.0970
_diffrn_reflns_limit_h_min        -11
_diffrn_reflns_limit_h_max        11
_diffrn_reflns_limit_k_min        -23
_diffrn_reflns_limit_k_max        22
_diffrn_reflns_limit_l_min        -25
_diffrn_reflns_limit_l_max        25
_diffrn_reflns_theta_min          1.79
_diffrn_reflns_theta_max          23.99
_reflns_number_total              14653
_reflns_number_observed           8381
_reflns_observed_criterion        >2sigma(I)

_computing_data_collection        'IPDS0-Package'
_computing_cell_refinement        'IPDS0-Package'
_computing_data_reduction         'IPDS0-Package'
_computing_structure_solution     'SHELXS-97 (Sheldrick, 1997)'
_computing_structure_refinement   'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics     ?
_computing_publication_material   ?

_refine_special_details
;
 Refinement on F^2^ for ALL reflections except for 0 with very negative F^2^
 or flagged by the user for potential systematic errors.  Weighted R-factors
 wR and all goodnesses of fit S are based on F^2^, conventional R-factors R
 are based on F, with F set to zero for negative F^2^. The observed criterion
 of F^2^ > 2sigma(F^2^) is used only for calculating _R_factor_obs etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F^2^ 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 w=1/[\s^2^(Fo^2^)+(0.0400P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary      direct
_atom_sites_solution_secondary    difmap
_atom_sites_solution_hydrogens    geom
_refine_ls_hydrogen_treatment     'riding model'
_refine_ls_extinction_method      none
_refine_ls_extinction_coef        ?
_refine_ls_number_reflns          14653
_refine_ls_number_parameters      1265
_refine_ls_number_restraints      4
_refine_ls_R_factor_all           0.0706
_refine_ls_R_factor_obs           0.0361
_refine_ls_wR_factor_all          0.0769
_refine_ls_wR_factor_obs          0.0721
_refine_ls_goodness_of_fit_all    0.751
_refine_ls_goodness_of_fit_obs    0.964
_refine_ls_restrained_S_all       0.750
_refine_ls_restrained_S_obs       0.964
_refine_ls_shift/esd_max          1.566
_refine_ls_shift/esd_mean         0.029

_ccdc_disorder  'one hexafluorophosphate was disorderes over 2 positions'
_ccdc_comments  ''

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_thermal_displace_type
 _atom_site_occupancy
 _atom_site_calc_flag
 _atom_site_refinement_flags
 _atom_site_disorder_group
Rh1 Rh 0.74582(3) 0.765950(15) 0.358818(13) 0.04118(10) Uani 1 d . .
P1 P 0.85436(11) 0.82319(5) 0.43453(4) 0.0391(3) Uani 1 d . .
C1 C 0.9078(4) 0.9121(2) 0.4156(2) 0.0437(10) Uani 1 d . .
H1A H 0.9524(4) 0.9355(2) 0.4505(2) 0.052 Uiso 1 calc R .
C2 C 1.0007(4) 0.9176(2) 0.3672(2) 0.0470(11) Uani 1 d . .
C3 C 0.9689(4) 0.8827(2) 0.3126(2) 0.0478(11) Uani 1 d . .
C4 C 0.8381(5) 0.8486(2) 0.2944(2) 0.0506(12) Uani 1 d . .
C5 C 0.7292(5) 0.8643(2) 0.3143(2) 0.0504(12) Uani 1 d . .
H5A H 0.6629(5) 0.8564(2) 0.2833(2) 0.061 Uiso 1 calc R .
C6 C 0.7130(4) 0.9180(2) 0.3552(2) 0.0480(11) Uani 1 d . .
C7 C 0.7976(4) 0.9428(2) 0.4025(2) 0.0476(11) Uani 1 d . .
C8 C 1.1209(5) 0.9541(2) 0.3776(2) 0.0642(14) Uani 1 d . .
H8A H 1.1394(5) 0.9790(2) 0.4126(2) 0.077 Uiso 1 calc R .
C9 C 1.2133(5) 0.9547(3) 0.3381(3) 0.084(2) Uani 1 d . .
H9A H 1.2936(5) 0.9803(3) 0.3458(3) 0.101 Uiso 1 calc R .
C10 C 1.1872(6) 0.9175(3) 0.2870(3) 0.082(2) Uani 1 d . .
H10A H 1.2511(6) 0.9157(3) 0.2609(3) 0.099 Uiso 1 calc R .
C11 C 1.0677(6) 0.8830(2) 0.2741(2) 0.0668(14) Uani 1 d . .
H11C H 1.0514(6) 0.8590(2) 0.2385(2) 0.080 Uiso 1 calc R .
C12 C 0.6097(5) 0.9473(2) 0.3455(2) 0.0680(14) Uani 1 d . .
H12D H 0.5511(5) 0.9306(2) 0.3154(2) 0.082 Uiso 1 calc R .
C13 C 0.5932(6) 1.0003(3) 0.3795(3) 0.086(2) Uani 1 d . .
H13C H 0.5254(6) 1.0201(3) 0.3714(3) 0.104 Uiso 1 calc R .
C14 C 0.6764(7) 1.0248(3) 0.4258(3) 0.088(2) Uani 1 d . .
H14C H 0.6641(7) 1.0603(3) 0.4493(3) 0.106 Uiso 1 calc R .
C15 C 0.7774(5) 0.9959(2) 0.4367(2) 0.0650(14) Uani 1 d . .
H15B H 0.8337(5) 1.0123(2) 0.4678(2) 0.078 Uiso 1 calc R .
C16 C 0.8248(5) 0.8105(2) 0.2352(2) 0.072(2) Uani 1 d . .
H16J H 0.9051(5) 0.8017(2) 0.2248(2) 0.107 Uiso 1 calc R .
H16K H 0.7958(5) 0.8365(2) 0.2055(2) 0.107 Uiso 1 calc R .
H16L H 0.7651(5) 0.7696(2) 0.2381(2) 0.107 Uiso 1 calc R .
C17 C 0.9946(4) 0.8042(2) 0.4697(2) 0.0449(11) Uani 1 d . .
C18 C 1.1073(5) 0.8115(2) 0.4405(2) 0.0664(14) Uani 1 d . .
H18D H 1.1110(5) 0.8247(2) 0.4017(2) 0.080 Uiso 1 calc R .
C19 C 1.2152(6) 0.7990(3) 0.4692(3) 0.088(2) Uani 1 d . .
H19C H 1.2916(6) 0.8067(3) 0.4502(3) 0.106 Uiso 1 calc R .
C20 C 1.2090(6) 0.7757(3) 0.5250(3) 0.089(2) Uani 1 d . .
H20D H 1.2808(6) 0.7671(3) 0.5439(3) 0.106 Uiso 1 calc R .
C21 C 1.0989(6) 0.7651(3) 0.5524(2) 0.077(2) Uani 1 d . .
H21C H 1.0944(6) 0.7476(3) 0.5897(2) 0.093 Uiso 1 calc R .
C22 C 0.9926(5) 0.7799(2) 0.5264(2) 0.0576(13) Uani 1 d . .
H22C H 0.9182(5) 0.7735(2) 0.5469(2) 0.069 Uiso 1 calc R .
C23 C 0.7547(4) 0.8299(2) 0.4967(2) 0.0412(10) Uani 1 d . .
C24 C 0.7967(5) 0.8716(2) 0.5454(2) 0.0561(12) Uani 1 d . .
H24A H 0.8774(5) 0.8979(2) 0.5464(2) 0.067 Uiso 1 calc R .
C25 C 0.7192(6) 0.8740(2) 0.5922(2) 0.0684(15) Uani 1 d . .
H25A H 0.7472(6) 0.9025(2) 0.6243(2) 0.082 Uiso 1 calc R .
C26 C 0.6026(6) 0.8351(3) 0.5916(2) 0.084(2) Uani 1 d . .
H26B H 0.5508(6) 0.8370(3) 0.6234(2) 0.100 Uiso 1 calc R .
C27 C 0.5602(5) 0.7928(3) 0.5446(2) 0.087(2) Uani 1 d . .
H27C H 0.4812(5) 0.7649(3) 0.5449(2) 0.104 Uiso 1 calc R .
C28 C 0.6354(5) 0.7918(2) 0.4967(2) 0.0634(13) Uani 1 d . .
H28B H 0.6046(5) 0.7649(2) 0.4639(2) 0.076 Uiso 1 calc R .
P1A P 0.79269(12) 0.66893(5) 0.38472(4) 0.0436(3) Uani 1 d . .
C1A C 0.6710(4) 0.5992(2) 0.3530(2) 0.0479(11) Uani 1 d . .
H1AA H 0.6976(4) 0.5584(2) 0.3634(2) 0.057 Uiso 1 calc R .
C2A C 0.5470(5) 0.5981(2) 0.3817(2) 0.0497(12) Uani 1 d . .
C3A C 0.4868(4) 0.6518(2) 0.3793(2) 0.0472(11) Uani 1 d . .
C4A C 0.5255(4) 0.7095(2) 0.3414(2) 0.0479(11) Uani 1 d . .
C5A C 0.5880(5) 0.7075(2) 0.2894(2) 0.0509(12) Uani 1 d . .
H5AA H 0.5630(5) 0.7379(2) 0.2613(2) 0.061 Uiso 1 calc R .
C6A C 0.6280(4) 0.6536(2) 0.2589(2) 0.0490(11) Uani 1 d . .
C7A C 0.6640(4) 0.6000(2) 0.2868(2) 0.0492(11) Uani 1 d . .
C8A C 0.4971(5) 0.5441(2) 0.4154(2) 0.0602(13) Uani 1 d . .
H8AA H 0.5353(5) 0.5078(2) 0.4156(2) 0.072 Uiso 1 calc R .
C9A C 0.3931(6) 0.5438(3) 0.4481(2) 0.077(2) Uani 1 d . .
H9AA H 0.3621(6) 0.5077(3) 0.4709(2) 0.092 Uiso 1 calc R .
C10A C 0.3345(5) 0.5962(3) 0.4476(2) 0.075(2) Uani 1 d . .
H10C H 0.2644(5) 0.5962(3) 0.4703(2) 0.090 Uiso 1 calc R .
C11A C 0.3798(5) 0.6488(2) 0.4134(2) 0.0654(14) Uani 1 d . .
H11B H 0.3381(5) 0.6838(2) 0.4128(2) 0.078 Uiso 1 calc R .
C12A C 0.6261(5) 0.6527(2) 0.1973(2) 0.0642(14) Uani 1 d . .
H12B H 0.6014(5) 0.6870(2) 0.1776(2) 0.077 Uiso 1 calc R .
C13A C 0.6600(6) 0.6021(3) 0.1652(2) 0.075(2) Uani 1 d . .
H13A H 0.6594(6) 0.6028(3) 0.1243(2) 0.090 Uiso 1 calc R .
C14A C 0.6945(5) 0.5509(3) 0.1930(2) 0.074(2) Uani 1 d . .
H14B H 0.7166(5) 0.5166(3) 0.1711(2) 0.089 Uiso 1 calc R .
C15A C 0.6969(5) 0.5496(2) 0.2538(2) 0.0591(13) Uani 1 d . .
H15A H 0.7209(5) 0.5146(2) 0.2725(2) 0.071 Uiso 1 calc R .
C16A C 0.4566(5) 0.7657(2) 0.3509(2) 0.0633(13) Uani 1 d . .
H16A H 0.4171(5) 0.7617(2) 0.3883(2) 0.095 Uiso 1 calc R .
H16B H 0.3935(5) 0.7639(2) 0.3201(2) 0.095 Uiso 1 calc R .
H16C H 0.5157(5) 0.8072(2) 0.3503(2) 0.095 Uiso 1 calc R .
C17A C 0.8115(5) 0.6446(2) 0.4607(2) 0.0552(12) Uani 1 d . .
C18A C 0.7148(5) 0.6454(2) 0.4996(2) 0.0632(14) Uani 1 d . .
H18A H 0.6421(5) 0.6588(2) 0.4868(2) 0.076 Uiso 1 calc R .
C19A C 0.7256(7) 0.6266(2) 0.5569(2) 0.084(2) Uani 1 d . .
H19A H 0.6593(7) 0.6262(2) 0.5821(2) 0.100 Uiso 1 calc R .
C20A C 0.8320(9) 0.6087(3) 0.5767(3) 0.102(3) Uani 1 d . .
H20C H 0.8387(9) 0.5973(3) 0.6158(3) 0.123 Uiso 1 calc R .
C21A C 0.9302(8) 0.6073(3) 0.5400(3) 0.103(2) Uani 1 d . .
H21D H 1.0022(8) 0.5940(3) 0.5539(3) 0.123 Uiso 1 calc R .
C22A C 0.9209(6) 0.6261(2) 0.4816(2) 0.079(2) Uani 1 d . .
H22D H 0.9877(6) 0.6263(2) 0.4567(2) 0.095 Uiso 1 calc R .
C23A C 0.9339(5) 0.6561(2) 0.3480(2) 0.0528(12) Uani 1 d . .
C24A C 1.0093(5) 0.7080(2) 0.3212(2) 0.0620(13) Uani 1 d . .
H24C H 0.9883(5) 0.7494(2) 0.3230(2) 0.074 Uiso 1 calc R .
C25A C 1.1144(6) 0.7004(3) 0.2921(2) 0.083(2) Uani 1 d . .
H25D H 1.1621(6) 0.7358(3) 0.2731(2) 0.100 Uiso 1 calc R .
C26A C 1.1490(7) 0.6409(4) 0.2909(3) 0.096(2) Uani 1 d . .
H26D H 1.2234(7) 0.6365(4) 0.2732(3) 0.115 Uiso 1 calc R .
C27A C 1.0751(7) 0.5875(3) 0.3155(3) 0.094(2) Uani 1 d . .
H27D H 1.0971(7) 0.5465(3) 0.3128(3) 0.112 Uiso 1 calc R .
C28A C 0.9681(6) 0.5944(2) 0.3445(2) 0.075(2) Uani 1 d . .
H28D H 0.9187(6) 0.5581(2) 0.3616(2) 0.090 Uiso 1 calc R .
Rh1B Rh 0.69888(3) 0.74141(2) 0.830210(13) 0.04070(10) Uani 1 d . .
P1B P 0.79289(11) 0.68682(5) 0.89736(4) 0.0396(3) Uani 1 d . .
C1B C 0.6862(4) 0.6062(2) 0.9133(2) 0.0450(11) Uani 1 d . .
H1BA H 0.7314(4) 0.5840(2) 0.9417(2) 0.054 Uiso 1 calc R .
C2B C 0.5677(4) 0.6153(2) 0.9411(2) 0.0484(11) Uani 1 d . .
C3B C 0.4820(5) 0.6489(2) 0.9138(2) 0.0540(12) Uani 1 d . .
C4B C 0.4895(4) 0.6697(2) 0.8510(2) 0.0523(12) Uani 1 d . .
C5B C 0.5475(4) 0.6412(2) 0.8073(2) 0.0522(12) Uani 1 d . .
H5BA H 0.5053(4) 0.6437(2) 0.7690(2) 0.063 Uiso 1 calc R .
C6B C 0.6042(4) 0.5831(2) 0.8083(2) 0.0480(11) Uani 1 d . .
C7B C 0.6649(4) 0.5634(2) 0.8576(2) 0.0473(11) Uani 1 d . .
C8B C 0.5450(5) 0.5929(2) 0.9980(2) 0.0708(15) Uani 1 d . .
H8BA H 0.5995(5) 0.5692(2) 1.0153(2) 0.085 Uiso 1 calc R .
C9B C 0.4460(7) 0.6048(3) 1.0287(3) 0.094(2) Uani 1 d . .
H9BA H 0.4337(7) 0.5897(3) 1.0667(3) 0.112 Uiso 1 calc R .
C10B C 0.3630(7) 0.6395(3) 1.0032(3) 0.101(2) Uani 1 d . .
H10D H 0.2953(7) 0.6483(3) 1.0241(3) 0.121 Uiso 1 calc R .
C11B C 0.3818(5) 0.6607(3) 0.9470(2) 0.079(2) Uani 1 d . .
H11D H 0.3257(5) 0.6838(3) 0.9303(2) 0.094 Uiso 1 calc R .
C12B C 0.5998(5) 0.5448(2) 0.7563(2) 0.0647(14) Uani 1 d . .
H12C H 0.5657(5) 0.5586(2) 0.7220(2) 0.078 Uiso 1 calc R .
C13B C 0.6443(6) 0.4876(3) 0.7546(2) 0.078(2) Uani 1 d . .
H13B H 0.6382(6) 0.4622(3) 0.7198(2) 0.094 Uiso 1 calc R .
C14B C 0.6980(5) 0.4681(2) 0.8044(2) 0.079(2) Uani 1 d . .
H14D H 0.7270(5) 0.4288(2) 0.8035(2) 0.095 Uiso 1 calc R .
C15B C 0.7094(5) 0.5056(2) 0.8554(2) 0.0635(13) Uani 1 d . .
H15C H 0.7473(5) 0.4921(2) 0.8888(2) 0.076 Uiso 1 calc R .
C16B C 0.3996(5) 0.7131(2) 0.8333(2) 0.0670(14) Uani 1 d . .
H16D H 0.3661(5) 0.7298(2) 0.8680(2) 0.101 Uiso 1 calc R .
H16E H 0.3319(5) 0.6878(2) 0.8091(2) 0.101 Uiso 1 calc R .
H16F H 0.4437(5) 0.7494(2) 0.8116(2) 0.101 Uiso 1 calc R .
C17B C 0.8547(5) 0.7195(2) 0.9708(2) 0.0475(11) Uani 1 d . .
C18B C 0.7722(5) 0.7316(2) 1.0135(2) 0.0575(13) Uani 1 d . .
H18B H 0.6860(5) 0.7228(2) 1.0048(2) 0.069 Uiso 1 calc R .
C19B C 0.8169(7) 0.7567(2) 1.0690(2) 0.080(2) Uani 1 d . .
H19B H 0.7616(7) 0.7650(2) 1.0974(2) 0.097 Uiso 1 calc R .
C20B C 0.9442(8) 0.7691(3) 1.0810(2) 0.089(2) Uani 1 d . .
H20A H 0.9746(8) 0.7858(3) 1.1182(2) 0.107 Uiso 1 calc R .
C21B C 1.0267(6) 0.7578(2) 1.0405(2) 0.078(2) Uani 1 d . .
H21A H 1.1127(6) 0.7664(2) 1.0496(2) 0.094 Uiso 1 calc R .
C22B C 0.9814(5) 0.7329(2) 0.9848(2) 0.0608(13) Uani 1 d . .
H22A H 1.0379(5) 0.7253(2) 0.9567(2) 0.073 Uiso 1 calc R .
C23B C 0.9220(4) 0.6564(2) 0.8652(2) 0.0454(11) Uani 1 d . .
C24B C 0.9817(5) 0.6113(2) 0.8950(2) 0.0594(13) Uani 1 d . .
H24D H 0.9616(5) 0.6009(2) 0.9336(2) 0.071 Uiso 1 calc R .
C25B C 1.0689(5) 0.5832(2) 0.8669(3) 0.076(2) Uani 1 d . .
H25C H 1.1096(5) 0.5545(2) 0.8868(3) 0.092 Uiso 1 calc R .
C26B C 1.0961(6) 0.5971(3) 0.8096(3) 0.089(2) Uani 1 d . .
H26C H 1.1523(6) 0.5761(3) 0.7903(3) 0.107 Uiso 1 calc R .
C27B C 1.0425(6) 0.6411(3) 0.7807(2) 0.087(2) Uani 1 d . .
H27B H 1.0646(6) 0.6516(3) 0.7423(2) 0.104 Uiso 1 calc R .
C28B C 0.9548(5) 0.6701(2) 0.8083(2) 0.0641(13) Uani 1 d . .
H28C H 0.9171(5) 0.6996(2) 0.7878(2) 0.077 Uiso 1 calc R .
P1C P 0.79528(11) 0.83985(5) 0.86611(4) 0.0389(3) Uani 1 d . .
C1C C 0.7941(4) 0.9038(2) 0.8096(2) 0.0462(11) Uani 1 d . .
H1CA H 0.8326(4) 0.9468(2) 0.8282(2) 0.055 Uiso 1 calc R .
C2C C 0.8765(4) 0.8913(2) 0.7597(2) 0.0456(10) Uani 1 d . .
C3C C 0.8548(4) 0.8311(2) 0.7282(2) 0.0481(11) Uani 1 d . .
C4C C 0.7381(5) 0.7785(2) 0.7329(2) 0.0486(11) Uani 1 d . .
C5C C 0.6222(5) 0.7893(2) 0.7486(2) 0.0492(11) Uani 1 d . .
H5CA H 0.5539(5) 0.7579(2) 0.7277(2) 0.059 Uiso 1 calc R .
C6C C 0.5838(4) 0.8514(2) 0.7628(2) 0.0495(11) Uani 1 d . .
C7C C 0.6628(4) 0.9067(2) 0.7909(2) 0.0496(11) Uani 1 d . .
C8C C 0.9799(5) 0.9408(2) 0.7482(2) 0.0586(13) Uani 1 d . .
H8CA H 0.9917(5) 0.9811(2) 0.7688(2) 0.070 Uiso 1 calc R .
C9C C 1.0648(5) 0.9309(3) 0.7069(2) 0.0705(14) Uani 1 d . .
H9CA H 1.1330(5) 0.9646(3) 0.6990(2) 0.085 Uiso 1 calc R .
C10C C 1.0484(5) 0.8716(3) 0.6777(2) 0.078(2) Uani 1 d . .
H10B H 1.1070(5) 0.8641(3) 0.6506(2) 0.093 Uiso 1 calc R .
C11C C 0.9463(5) 0.8225(3) 0.6879(2) 0.0661(14) Uani 1 d . .
H11A H 0.9374(5) 0.7822(3) 0.6674(2) 0.079 Uiso 1 calc R .
C12C C 0.4595(5) 0.8563(3) 0.7474(2) 0.0690(14) Uani 1 d . .
H12A H 0.4052(5) 0.8204(3) 0.7290(2) 0.083 Uiso 1 calc R .
C13C C 0.4173(6) 0.9127(3) 0.7591(2) 0.081(2) Uani 1 d . .
H13D H 0.3351(6) 0.9150(3) 0.7484(2) 0.097 Uiso 1 calc R .
C14C C 0.4959(6) 0.9668(3) 0.7869(2) 0.080(2) Uani 1 d . .
H14A H 0.4668(6) 1.0053(3) 0.7948(2) 0.096 Uiso 1 calc R .
C15C C 0.6161(5) 0.9631(2) 0.8026(2) 0.0633(13) Uani 1 d . .
H15D H 0.6683(5) 0.9994(2) 0.8216(2) 0.076 Uiso 1 calc R .
C16C C 0.7363(5) 0.7150(2) 0.6972(2) 0.0679(14) Uani 1 d . .
H16G H 0.8210(5) 0.7119(2) 0.6884(2) 0.102 Uiso 1 calc R .
H16H H 0.6884(5) 0.7153(2) 0.6611(2) 0.102 Uiso 1 calc R .
H16I H 0.6983(5) 0.6778(2) 0.7195(2) 0.102 Uiso 1 calc R .
C17C C 0.9582(4) 0.8572(2) 0.8935(2) 0.0441(11) Uani 1 d . .
C18C C 0.9955(5) 0.8857(2) 0.9489(2) 0.0626(13) Uani 1 d . .
H18C H 0.9360(5) 0.8982(2) 0.9731(2) 0.075 Uiso 1 calc R .
C19C C 1.1192(6) 0.8955(3) 0.9684(3) 0.082(2) Uani 1 d . .
H19D H 1.1422(6) 0.9141(3) 1.0058(3) 0.099 Uiso 1 calc R .
C20C C 1.2074(6) 0.8785(3) 0.9339(3) 0.087(2) Uani 1 d . .
H20B H 1.2910(6) 0.8858(3) 0.9474(3) 0.104 Uiso 1 calc R .
C21C C 1.1738(5) 0.8502(2) 0.8785(3) 0.0729(15) Uani 1 d . .
H21B H 1.2346(5) 0.8385(2) 0.8546(3) 0.088 Uiso 1 calc R .
C22C C 1.0490(5) 0.8393(2) 0.8586(2) 0.0571(12) Uani 1 d . .
H22B H 1.0262(5) 0.8198(2) 0.8215(2) 0.068 Uiso 1 calc R .
C23C C 0.7030(4) 0.8690(2) 0.9229(2) 0.0436(10) Uani 1 d . .
C24C C 0.7235(5) 0.9349(2) 0.9428(2) 0.0657(14) Uani 1 d . .
H24B H 0.7904(5) 0.9653(2) 0.9284(2) 0.079 Uiso 1 calc R .
C25C C 0.6472(6) 0.9555(3) 0.9829(2) 0.079(2) Uani 1 d . .
H25B H 0.6606(6) 0.9999(3) 0.9946(2) 0.095 Uiso 1 calc R .
C26C C 0.5519(5) 0.9115(3) 1.0058(2) 0.0737(15) Uani 1 d . .
H26A H 0.5014(5) 0.9257(3) 1.0338(2) 0.088 Uiso 1 calc R .
C27C C 0.5294(5) 0.8467(2) 0.9882(2) 0.0646(13) Uani 1 d . .
H27A H 0.4648(5) 0.8166(2) 1.0046(2) 0.078 Uiso 1 calc R .
C28C C 0.6026(5) 0.8261(2) 0.9461(2) 0.0528(12) Uani 1 d . .
H28A H 0.5842(5) 0.7821(2) 0.9328(2) 0.063 Uiso 1 calc R .
P2 P 0.3039(2) 0.63069(7) 0.64047(5) 0.0659(4) Uani 1 d . .
F1 F 0.3059(5) 0.6127(3) 0.7062(2) 0.163(2) Uani 1 d D .
F2 F 0.4362(8) 0.6125(6) 0.6385(3) 0.189(5) Uani 0.787(14) d P .
F2A F 0.3482(17) 0.5724(12) 0.6244(15) 0.156(8) Uani 0.213(14) d PD .
F3 F 0.2533(10) 0.5591(3) 0.6184(4) 0.190(5) Uani 0.787(14) d P .
F3A F 0.1621(15) 0.5958(10) 0.6350(3) 0.156(8) Uani 0.213(14) d PD .
F4 F 0.1736(6) 0.6503(5) 0.6456(2) 0.153(4) Uani 0.787(14) d P .
F4A F 0.2739(23) 0.6895(10) 0.6708(14) 0.156(8) Uani 0.213(14) d PD .
F5 F 0.3696(11) 0.7010(3) 0.6586(3) 0.183(5) Uani 0.787(14) d P .
F5A F 0.4335(25) 0.6656(13) 0.6378(16) 0.156(8) Uani 0.213(14) d P .
F6 F 0.3009(6) 0.6511(2) 0.57709(15) 0.178(2) Uani 1 d D .
P3 P 0.3801(2) 0.80760(8) 0.16092(6) 0.0792(5) Uani 1 d . .
F7 F 0.4221(6) 0.8425(3) 0.2215(2) 0.190(2) Uani 1 d . .
F8 F 0.2404(4) 0.8113(3) 0.1742(2) 0.156(2) Uani 1 d . .
F9 F 0.3637(5) 0.7414(2) 0.1929(2) 0.164(2) Uani 1 d . .
F10 F 0.5165(4) 0.8019(2) 0.1490(2) 0.168(2) Uani 1 d . .
F11 F 0.4049(6) 0.8760(2) 0.1338(2) 0.183(2) Uani 1 d . .
F12 F 0.3385(5) 0.7761(3) 0.1013(2) 0.186(2) Uani 1 d . .
N1A N 1.0084(9) 1.0514(3) 0.8871(4) 0.143(3) Uani 1 d . .
C1A C 1.1089(11) 1.0513(4) 0.8779(3) 0.108(3) Uani 1 d . .
C2A C 1.2355(10) 1.0499(4) 0.8616(4) 0.163(4) Uani 1 d . .
H2A1 H 1.2586(24) 1.0108(17) 0.8761(26) 0.244 Uiso 1 calc R .
H2A2 H 1.2921(12) 1.0882(17) 0.8784(24) 0.244 Uiso 1 calc R .
H2A3 H 1.2402(17) 1.0498(33) 0.8195(4) 0.244 Uiso 1 calc R .
N2A N 0.8780(10) 0.5644(4) 1.0440(3) 0.163(3) Uani 1 d . .
C3A C 0.9434(11) 0.5861(5) 1.0824(4) 0.134(3) Uani 1 d . .
C4A C 1.0150(9) 0.6139(4) 1.1346(4) 0.174(4) Uani 1 d . .
H4A1 H 1.1034(9) 0.6201(36) 1.1274(12) 0.262 Uiso 1 calc R .
H4A2 H 0.9946(57) 0.5844(19) 1.1665(10) 0.262 Uiso 1 calc R .
H4A3 H 0.9946(55) 0.6557(19) 1.1449(20) 0.262 Uiso 1 calc R .

loop_
 _atom_site_aniso_label
 _atom_site_aniso_U_11
 _atom_site_aniso_U_22
 _atom_site_aniso_U_33
 _atom_site_aniso_U_23
 _atom_site_aniso_U_13
 _atom_site_aniso_U_12
Rh1 0.0463(3) 0.0399(2) 0.0364(2) 0.00209(14) -0.0026(2) 0.0071(2)
P1 0.0397(8) 0.0398(6) 0.0371(5) 0.0009(4) 0.0013(5) 0.0067(5)
C1 0.041(3) 0.039(2) 0.047(2) -0.004(2) -0.001(2) 0.000(2)
C2 0.044(3) 0.042(2) 0.055(3) 0.008(2) 0.009(2) 0.008(2)
C3 0.052(3) 0.044(2) 0.048(2) 0.013(2) 0.016(2) 0.008(2)
C4 0.064(4) 0.045(2) 0.042(2) 0.008(2) 0.008(2) 0.008(2)
C5 0.059(4) 0.046(2) 0.045(2) 0.011(2) -0.007(2) 0.006(2)
C6 0.049(3) 0.041(2) 0.055(3) 0.018(2) 0.010(2) 0.009(2)
C7 0.051(3) 0.044(2) 0.045(2) 0.004(2) 0.011(2) 0.002(2)
C8 0.054(4) 0.053(3) 0.079(3) -0.001(2) 0.012(3) -0.005(2)
C9 0.052(4) 0.071(3) 0.122(5) 0.000(3) 0.019(3) -0.005(3)
C10 0.075(5) 0.072(4) 0.103(4) 0.009(3) 0.040(3) 0.014(3)
C11 0.075(5) 0.056(3) 0.071(3) 0.011(2) 0.025(3) 0.012(3)
C12 0.063(4) 0.051(3) 0.090(4) 0.009(3) -0.006(3) 0.015(3)
C13 0.072(5) 0.071(4) 0.126(5) 0.008(3) -0.005(4) 0.037(3)
C14 0.093(6) 0.079(4) 0.102(4) -0.009(3) 0.007(4) 0.042(4)
C15 0.076(4) 0.059(3) 0.063(3) -0.001(2) 0.004(3) 0.020(3)
C16 0.100(5) 0.070(3) 0.040(3) 0.009(2) 0.013(3) 0.003(3)
C17 0.043(3) 0.042(2) 0.048(2) -0.006(2) -0.002(2) 0.007(2)
C18 0.060(4) 0.068(3) 0.076(3) -0.004(2) 0.009(3) 0.024(3)
C19 0.048(5) 0.103(4) 0.124(5) 0.006(4) 0.016(4) 0.037(3)
C20 0.056(5) 0.101(4) 0.116(5) 0.010(4) -0.010(4) 0.034(3)
C21 0.070(5) 0.091(4) 0.078(4) 0.002(3) -0.020(3) 0.037(3)
C22 0.052(4) 0.064(3) 0.059(3) -0.001(2) -0.006(2) 0.021(2)
C23 0.045(3) 0.040(2) 0.039(2) 0.002(2) 0.001(2) 0.008(2)
C24 0.064(4) 0.053(3) 0.050(3) 0.003(2) 0.003(2) 0.011(2)
C25 0.095(5) 0.072(3) 0.046(3) 0.002(2) 0.010(3) 0.033(3)
C26 0.084(5) 0.119(5) 0.059(3) 0.015(3) 0.030(3) 0.042(4)
C27 0.048(4) 0.134(5) 0.075(4) 0.010(4) 0.019(3) 0.007(3)
C28 0.046(4) 0.090(4) 0.051(3) 0.000(2) 0.000(2) 0.007(3)
P1A 0.0499(9) 0.0377(6) 0.0423(6) 0.0021(5) -0.0040(5) 0.0072(5)
C1A 0.056(4) 0.037(2) 0.048(2) 0.001(2) -0.008(2) 0.005(2)
C2A 0.060(4) 0.042(2) 0.040(2) -0.003(2) -0.005(2) -0.003(2)
C3A 0.041(3) 0.049(3) 0.046(2) 0.000(2) -0.004(2) -0.002(2)
C4A 0.045(3) 0.047(2) 0.050(3) -0.001(2) -0.007(2) 0.007(2)
C5A 0.068(4) 0.044(2) 0.039(2) 0.002(2) -0.009(2) 0.010(2)
C6A 0.050(3) 0.052(3) 0.041(2) -0.003(2) -0.004(2) 0.004(2)
C7A 0.048(3) 0.048(3) 0.049(2) 0.001(2) -0.004(2) 0.004(2)
C8A 0.075(4) 0.047(3) 0.052(3) 0.000(2) 0.001(3) -0.002(2)
C9A 0.093(5) 0.065(3) 0.064(3) 0.009(3) 0.012(3) -0.008(3)
C10A 0.070(4) 0.082(4) 0.066(3) 0.001(3) 0.019(3) -0.005(3)
C11A 0.053(4) 0.073(3) 0.067(3) 0.008(3) 0.003(3) 0.004(3)
C12A 0.078(4) 0.069(3) 0.045(3) 0.001(2) -0.001(2) 0.012(3)
C13A 0.099(5) 0.085(4) 0.043(3) -0.004(3) -0.002(3) 0.021(3)
C14A 0.090(5) 0.080(4) 0.057(3) -0.014(3) 0.004(3) 0.030(3)
C15A 0.069(4) 0.057(3) 0.051(3) -0.009(2) -0.002(2) 0.015(2)
C16A 0.057(4) 0.069(3) 0.064(3) 0.006(2) 0.003(2) 0.013(3)
C17A 0.065(4) 0.048(3) 0.050(3) 0.000(2) -0.015(3) 0.007(2)
C18A 0.088(4) 0.051(3) 0.045(3) 0.008(2) -0.006(3) 0.001(3)
C19A 0.129(6) 0.063(3) 0.046(3) 0.004(2) -0.006(3) -0.009(3)
C20A 0.172(9) 0.073(4) 0.051(4) 0.016(3) -0.028(4) 0.000(4)
C21A 0.150(8) 0.084(4) 0.077(4) 0.011(3) -0.051(4) 0.035(4)
C22A 0.095(5) 0.064(3) 0.076(4) 0.007(3) -0.019(3) 0.011(3)
C23A 0.057(4) 0.051(3) 0.052(3) -0.008(2) -0.002(2) 0.017(2)
C24A 0.062(4) 0.066(3) 0.059(3) -0.005(2) 0.011(3) 0.015(3)
C25A 0.068(5) 0.104(5) 0.079(4) -0.014(3) 0.017(3) 0.022(3)
C26A 0.075(5) 0.115(5) 0.101(4) -0.035(4) 0.014(4) 0.031(4)
C27A 0.072(5) 0.084(4) 0.133(5) -0.040(4) -0.011(4) 0.042(4)
C28A 0.077(5) 0.061(3) 0.090(4) -0.007(3) -0.009(3) 0.023(3)
Rh1B 0.0409(3) 0.0425(2) 0.0368(2) -0.00180(15) -0.0047(2) 0.0055(2)
P1B 0.0415(8) 0.0397(6) 0.0355(5) -0.0004(4) -0.0011(5) 0.0043(5)
C1B 0.046(3) 0.037(2) 0.049(2) 0.004(2) -0.001(2) 0.002(2)
C2B 0.046(3) 0.043(2) 0.053(3) -0.003(2) 0.001(2) 0.001(2)
C3B 0.043(4) 0.055(3) 0.058(3) -0.008(2) 0.013(2) -0.003(2)
C4B 0.043(3) 0.050(3) 0.062(3) 0.004(2) -0.002(2) 0.003(2)
C5B 0.049(3) 0.054(3) 0.050(2) -0.001(2) -0.007(2) 0.001(2)
C6B 0.043(3) 0.042(2) 0.052(3) -0.011(2) -0.001(2) -0.006(2)
C7B 0.041(3) 0.049(3) 0.048(2) -0.006(2) 0.002(2) 0.001(2)
C8B 0.080(5) 0.071(3) 0.056(3) 0.017(2) 0.017(3) 0.000(3)
C9B 0.093(6) 0.114(5) 0.067(4) 0.011(3) 0.034(4) 0.000(4)
C10B 0.080(6) 0.131(6) 0.093(5) 0.007(4) 0.044(4) 0.018(4)
C11B 0.057(4) 0.093(4) 0.085(4) 0.000(3) 0.016(3) 0.012(3)
C12B 0.063(4) 0.061(3) 0.064(3) -0.012(2) -0.006(2) 0.003(3)
C13B 0.073(5) 0.080(4) 0.077(4) -0.035(3) -0.006(3) 0.014(3)
C14B 0.075(5) 0.064(3) 0.098(4) -0.026(3) -0.015(3) 0.022(3)
C15B 0.066(4) 0.052(3) 0.073(3) -0.007(2) -0.003(3) 0.015(2)
C16B 0.051(4) 0.072(3) 0.077(3) 0.009(3) 0.005(3) 0.011(3)
C17B 0.064(4) 0.036(2) 0.042(2) 0.005(2) -0.003(2) 0.008(2)
C18B 0.073(4) 0.055(3) 0.042(2) 0.000(2) -0.003(2) 0.008(2)
C19B 0.112(6) 0.078(4) 0.048(3) -0.010(2) 0.005(3) 0.015(3)
C20B 0.129(7) 0.073(4) 0.060(4) -0.016(3) -0.030(4) 0.012(4)
C21B 0.084(5) 0.067(3) 0.076(4) -0.005(3) -0.039(3) 0.005(3)
C22B 0.059(4) 0.059(3) 0.058(3) -0.005(2) -0.014(2) 0.001(2)
C23B 0.042(3) 0.040(2) 0.052(3) 0.000(2) -0.002(2) 0.004(2)
C24B 0.054(4) 0.056(3) 0.068(3) 0.009(2) 0.005(2) 0.011(2)
C25B 0.060(4) 0.062(3) 0.110(5) 0.001(3) 0.004(3) 0.020(3)
C26B 0.078(5) 0.089(4) 0.109(5) -0.007(4) 0.028(4) 0.037(3)
C27B 0.081(5) 0.122(5) 0.062(3) -0.003(3) 0.025(3) 0.031(4)
C28B 0.061(4) 0.081(3) 0.054(3) -0.001(2) 0.007(2) 0.025(3)
P1C 0.0390(8) 0.0385(6) 0.0380(5) 0.0017(4) 0.0007(5) 0.0051(5)
C1C 0.049(3) 0.040(2) 0.049(2) 0.008(2) 0.004(2) 0.005(2)
C2C 0.039(3) 0.058(3) 0.041(2) 0.013(2) 0.001(2) 0.014(2)
C3C 0.045(3) 0.070(3) 0.032(2) 0.013(2) 0.004(2) 0.017(2)
C4C 0.053(4) 0.053(3) 0.039(2) 0.002(2) -0.001(2) 0.008(2)
C5C 0.043(3) 0.061(3) 0.041(2) 0.004(2) -0.008(2) 0.005(2)
C6C 0.043(3) 0.064(3) 0.043(2) 0.017(2) 0.002(2) 0.013(2)
C7C 0.047(3) 0.059(3) 0.045(2) 0.014(2) 0.006(2) 0.014(2)
C8C 0.053(4) 0.068(3) 0.056(3) 0.021(2) 0.007(2) 0.013(3)
C9C 0.058(4) 0.081(4) 0.070(3) 0.027(3) 0.015(3) 0.005(3)
C10C 0.062(4) 0.115(5) 0.057(3) 0.006(3) 0.021(3) 0.017(3)
C11C 0.060(4) 0.091(4) 0.046(3) -0.002(2) 0.007(2) 0.014(3)
C12C 0.055(4) 0.086(4) 0.070(3) 0.026(3) -0.002(3) 0.020(3)
C13C 0.054(4) 0.107(5) 0.090(4) 0.030(3) -0.001(3) 0.033(4)
C14C 0.072(5) 0.082(4) 0.098(4) 0.024(3) 0.013(3) 0.039(3)
C15C 0.064(4) 0.065(3) 0.068(3) 0.016(2) 0.011(3) 0.026(3)
C16C 0.082(4) 0.074(3) 0.045(3) -0.007(2) 0.007(2) 0.011(3)
C17C 0.043(3) 0.038(2) 0.049(2) 0.003(2) -0.004(2) 0.003(2)
C18C 0.053(4) 0.057(3) 0.075(3) -0.008(2) -0.009(3) 0.006(2)
C19C 0.063(5) 0.078(4) 0.098(4) -0.010(3) -0.028(4) 0.001(3)
C20C 0.046(5) 0.086(4) 0.121(5) -0.002(4) -0.025(4) 0.001(3)
C21C 0.044(4) 0.077(3) 0.100(4) 0.020(3) 0.011(3) 0.015(3)
C22C 0.051(4) 0.061(3) 0.060(3) 0.005(2) -0.003(2) 0.011(2)
C23C 0.048(3) 0.047(2) 0.035(2) -0.005(2) 0.001(2) 0.010(2)
C24C 0.073(4) 0.047(3) 0.072(3) -0.006(2) 0.013(3) 0.001(2)
C25C 0.078(5) 0.073(3) 0.086(4) -0.027(3) 0.016(3) 0.019(3)
C26C 0.067(4) 0.089(4) 0.067(3) -0.017(3) 0.017(3) 0.022(3)
C27C 0.056(4) 0.071(3) 0.066(3) 0.001(3) 0.015(2) 0.010(2)
C28C 0.057(4) 0.050(3) 0.050(2) -0.001(2) 0.005(2) 0.006(2)
P2 0.0683(13) 0.0715(9) 0.0576(8) 0.0093(6) -0.0077(7) 0.0142(8)
F1 0.178(5) 0.242(5) 0.088(3) 0.060(3) 0.010(3) 0.080(4)
F2 0.103(7) 0.273(13) 0.220(7) -0.009(7) 0.007(5) 0.104(7)
F2A 0.077(12) 0.098(11) 0.284(17) -0.059(9) 0.069(9) -0.006(7)
F3 0.207(12) 0.063(3) 0.277(8) -0.004(4) -0.074(7) -0.015(4)
F3A 0.077(12) 0.098(11) 0.284(17) -0.059(9) 0.069(9) -0.006(7)
F4 0.093(6) 0.269(12) 0.123(4) 0.013(5) -0.006(3) 0.095(6)
F4A 0.077(12) 0.098(11) 0.284(17) -0.059(9) 0.069(9) -0.006(7)
F5 0.239(13) 0.098(4) 0.174(6) -0.044(4) -0.026(6) -0.042(6)
F5A 0.077(12) 0.098(11) 0.284(17) -0.059(9) 0.069(9) -0.006(7)
F6 0.311(7) 0.169(4) 0.065(2) 0.028(2) 0.004(3) 0.070(4)
P3 0.0760(14) 0.1068(12) 0.0591(8) 0.0078(8) 0.0047(7) 0.0276(9)
F7 0.240(7) 0.221(5) 0.108(3) -0.040(3) -0.037(3) 0.062(5)
F8 0.103(4) 0.255(5) 0.132(3) 0.019(3) 0.032(3) 0.081(3)
F9 0.134(4) 0.156(4) 0.211(5) 0.077(4) 0.034(3) 0.036(3)
F10 0.085(4) 0.198(5) 0.235(5) 0.050(4) 0.039(3) 0.055(3)
F11 0.231(6) 0.141(4) 0.189(5) 0.073(3) 0.036(4) 0.053(4)
F12 0.141(5) 0.300(7) 0.113(3) -0.088(4) -0.018(3) 0.050(4)
N1A 0.164(9) 0.098(4) 0.158(6) -0.009(4) 0.046(6) 0.002(5)
C1A 0.137(9) 0.082(4) 0.093(5) 0.016(4) 0.006(6) -0.006(6)
C2A 0.124(9) 0.174(9) 0.191(9) 0.071(7) -0.020(7) 0.024(7)
N2A 0.222(11) 0.158(7) 0.115(6) 0.048(5) 0.005(6) 0.047(6)
C3A 0.167(10) 0.126(7) 0.119(7) 0.064(6) 0.006(6) 0.044(6)
C4A 0.154(10) 0.161(8) 0.204(10) 0.068(7) -0.059(8) 0.023(6)

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

loop_
 _geom_bond_atom_site_label_1
 _geom_bond_atom_site_label_2
 _geom_bond_distance
 _geom_bond_site_symmetry_2
 _geom_bond_publ_flag
Rh1 P1 2.2260(11) . yes
Rh1 P1A 2.2604(12) . yes
Rh1 C5 2.337(4) . yes
Rh1 C4 2.362(4) . yes
Rh1 C5A 2.404(4) . yes
Rh1 C4A 2.451(4) . yes
P1 C17 1.818(5) . yes
P1 C23 1.819(4) . yes
P1 C1 1.878(4) . yes
C1 C7 1.491(6) . ?
C1 C2 1.502(6) . ?
C2 C8 1.375(6) . ?
C2 C3 1.415(6) . ?
C3 C11 1.400(6) . ?
C3 C4 1.491(6) . ?
C4 C5 1.372(6) . yes
C4 C16 1.527(6) . ?
C5 C6 1.468(6) . ?
C6 C12 1.395(6) . ?
C6 C7 1.410(6) . ?
C7 C15 1.385(6) . ?
C8 C9 1.360(7) . ?
C9 C10 1.364(7) . ?
C10 C11 1.364(7) . ?
C12 C13 1.369(7) . ?
C13 C14 1.382(8) . ?
C14 C15 1.373(7) . ?
C17 C18 1.388(6) . ?
C17 C22 1.396(6) . ?
C18 C19 1.399(7) . ?
C19 C20 1.369(8) . ?
C20 C21 1.341(8) . ?
C21 C22 1.376(7) . ?
C23 C28 1.370(6) . ?
C23 C24 1.391(5) . ?
C24 C25 1.378(6) . ?
C25 C26 1.351(8) . ?
C26 C27 1.370(7) . ?
C27 C28 1.378(7) . ?
P1A C23A 1.825(5) . yes
P1A C17A 1.830(4) . yes
P1A C1A 1.858(4) . yes
C1A C2A 1.505(6) . ?
C1A C7A 1.505(5) . ?
C2A C8A 1.396(6) . ?
C2A C3A 1.402(6) . ?
C3A C11A 1.403(6) . ?
C3A C4A 1.490(5) . ?
C4A C5A 1.380(6) . yes
C4A C16A 1.520(6) . ?
C5A C6A 1.444(6) . ?
C6A C12A 1.400(5) . ?
C6A C7A 1.412(6) . ?
C7A C15A 1.378(6) . ?
C8A C9A 1.365(7) . ?
C9A C10A 1.366(8) . ?
C10A C11A 1.370(6) . ?
C12A C13A 1.376(6) . ?
C13A C14A 1.361(7) . ?
C14A C15A 1.380(6) . ?
C17A C18A 1.391(7) . ?
C17A C22A 1.395(7) . ?
C18A C19A 1.379(6) . ?
C19A C20A 1.352(9) . ?
C20A C21A 1.374(10) . ?
C21A C22A 1.401(7) . ?
C23A C24A 1.377(6) . ?
C23A C28A 1.401(6) . ?
C24A C25A 1.367(7) . ?
C25A C26A 1.358(8) . ?
C26A C27A 1.368(8) . ?
C27A C28A 1.378(8) . ?
Rh1B P1C 2.2122(11) . yes
Rh1B P1B 2.2664(11) . yes
Rh1B C5C 2.341(4) . yes
Rh1B C4C 2.381(4) . yes
Rh1B C5B 2.401(4) . yes
Rh1B C4B 2.508(4) . yes
P1B C23B 1.812(5) . yes
P1B C17B 1.839(4) . yes
P1B C1B 1.874(4) . yes
C1B C2B 1.490(6) . ?
C1B C7B 1.510(5) . ?
C2B C8B 1.395(6) . ?
C2B C3B 1.411(6) . ?
C3B C11B 1.396(7) . ?
C3B C4B 1.502(6) . ?
C4B C5B 1.373(6) . yes
C4B C16B 1.510(6) . ?
C5B C6B 1.458(6) . ?
C6B C7B 1.396(6) . ?
C6B C12B 1.399(6) . ?
C7B C15B 1.381(6) . ?
C8B C9B 1.356(8) . ?
C9B C10B 1.387(9) . ?
C10B C11B 1.369(7) . ?
C12B C13B 1.368(7) . ?
C13B C14B 1.368(7) . ?
C14B C15B 1.365(6) . ?
C17B C22B 1.371(6) . ?
C17B C18B 1.389(6) . ?
C18B C19B 1.386(6) . ?
C19B C20B 1.369(8) . ?
C20B C21B 1.350(8) . ?
C21B C22B 1.389(6) . ?
C23B C28B 1.372(6) . ?
C23B C24B 1.417(6) . ?
C24B C25B 1.370(7) . ?
C25B C26B 1.367(7) . ?
C26B C27B 1.354(8) . ?
C27B C28B 1.379(7) . ?
P1C C23C 1.817(4) . yes
P1C C17C 1.819(4) . yes
P1C C1C 1.872(4) . yes
C1C C7C 1.488(6) . ?
C1C C2C 1.511(6) . ?
C2C C8C 1.389(6) . ?
C2C C3C 1.393(6) . ?
C3C C11C 1.402(6) . ?
C3C C4C 1.498(6) . ?
C4C C5C 1.375(6) . yes
C4C C16C 1.522(6) . ?
C5C C6C 1.461(6) . ?
C6C C12C 1.408(7) . ?
C6C C7C 1.407(6) . ?
C7C C15C 1.386(6) . ?
C8C C9C 1.370(7) . ?
C9C C10C 1.356(7) . ?
C10C C11C 1.368(7) . ?
C12C C13C 1.361(7) . ?
C13C C14C 1.383(7) . ?
C14C C15C 1.360(7) . ?
C17C C22C 1.382(6) . ?
C17C C18C 1.388(6) . ?
C18C C19C 1.374(7) . ?
C19C C20C 1.348(8) . ?
C20C C21C 1.381(7) . ?
C21C C22C 1.387(7) . ?
C23C C28C 1.381(6) . ?
C23C C24C 1.396(5) . ?
C24C C25C 1.364(7) . ?
C25C C26C 1.356(7) . ?
C26C C27C 1.358(6) . ?
C27C C28C 1.373(6) . ?
P2 F2A 1.43(2) . ?
P2 F5 1.523(6) . ?
P2 F6 1.514(4) . ?
P2 F3 1.535(6) . ?
P2 F4A 1.48(2) . ?
P2 F1 1.549(4) . ?
P2 F4 1.555(6) . ?
P2 F2 1.558(8) . ?
P2 F5A 1.45(2) . ?
P2 F3A 1.56(2) . ?
F2 F2A 1.16(2) . ?
F2 F5A 1.10(2) . ?
F2A F3 1.01(2) . ?
F3 F3A 1.42(2) . ?
F3A F4 1.13(2) . ?
F4 F4A 1.32(2) . ?
F4A F5 1.06(2) . ?
F5 F5A 1.20(2) . ?
P3 F12 1.503(4) . ?
P3 F11 1.535(4) . ?
P3 F10 1.539(5) . ?
P3 F9 1.549(4) . ?
P3 F7 1.549(4) . ?
P3 F8 1.568(5) . ?
N1A C1A 1.115(11) . ?
C1A C2A 1.437(11) . ?
N2A C3A 1.131(11) . ?
C3A C4A 1.439(12) . ?

loop_
 _geom_angle_atom_site_label_1
 _geom_angle_atom_site_label_2
 _geom_angle_atom_site_label_3
 _geom_angle
 _geom_angle_site_symmetry_1
 _geom_angle_site_symmetry_3
 _geom_angle_publ_flag
P1 Rh1 P1A 94.18(4) . . yes
P1 Rh1 C5 90.18(11) . . yes
P1A Rh1 C5 166.66(12) . . yes
P1 Rh1 C4 90.08(11) . . yes
P1A Rh1 C4 133.28(13) . . yes
C5 Rh1 C4 33.96(15) . . yes
P1 Rh1 C5A 167.00(12) . . yes
P1A Rh1 C5A 89.74(10) . . yes
C5 Rh1 C5A 88.79(15) . . yes
C4 Rh1 C5A 96.25(14) . . yes
P1 Rh1 C4A 134.52(10) . . yes
P1A Rh1 C4A 89.29(10) . . yes
C5 Rh1 C4A 96.6(2) . . yes
C4 Rh1 C4A 119.3(2) . . yes
C5A Rh1 C4A 33.00(14) . . yes
C17 P1 C23 102.6(2) . . yes
C17 P1 C1 102.8(2) . . yes
C23 P1 C1 101.6(2) . . yes
C17 P1 Rh1 125.04(13) . . yes
C23 P1 Rh1 111.81(14) . . yes
C1 P1 Rh1 110.25(13) . . yes
C7 C1 C2 114.1(3) . . ?
C7 C1 P1 110.8(3) . . ?
C2 C1 P1 109.9(3) . . ?
C8 C2 C3 119.7(4) . . ?
C8 C2 C1 119.1(4) . . ?
C3 C2 C1 121.0(4) . . ?
C11 C3 C2 116.4(4) . . ?
C11 C3 C4 120.0(4) . . ?
C2 C3 C4 123.6(4) . . ?
C5 C4 C3 125.9(4) . . ?
C5 C4 C16 115.2(4) . . ?
C3 C4 C16 115.5(4) . . ?
C5 C4 Rh1 72.0(2) . . ?
C3 C4 Rh1 113.9(3) . . ?
C16 C4 Rh1 102.0(3) . . ?
C4 C5 C6 129.4(4) . . ?
C4 C5 Rh1 74.0(2) . . ?
C6 C5 Rh1 114.9(3) . . ?
C12 C6 C7 118.2(4) . . ?
C12 C6 C5 118.0(4) . . ?
C7 C6 C5 123.8(4) . . ?
C15 C7 C6 119.3(5) . . ?
C15 C7 C1 120.4(4) . . ?
C6 C7 C1 120.2(4) . . ?
C9 C8 C2 121.9(5) . . ?
C8 C9 C10 119.4(5) . . ?
C11 C10 C9 120.3(5) . . ?
C10 C11 C3 122.1(5) . . ?
C13 C12 C6 121.1(5) . . ?
C12 C13 C14 120.6(6) . . ?
C15 C14 C13 119.1(5) . . ?
C14 C15 C7 121.6(5) . . ?
C18 C17 C22 117.1(4) . . ?
C18 C17 P1 121.3(3) . . ?
C22 C17 P1 121.5(4) . . ?
C17 C18 C19 120.3(5) . . ?
C20 C19 C18 120.3(5) . . ?
C21 C20 C19 119.7(6) . . ?
C20 C21 C22 121.2(6) . . ?
C21 C22 C17 121.1(5) . . ?
C28 C23 C24 118.3(4) . . ?
C28 C23 P1 119.6(3) . . ?
C24 C23 P1 122.1(3) . . ?
C25 C24 C23 120.2(5) . . ?
C26 C25 C24 120.4(5) . . ?
C25 C26 C27 120.3(5) . . ?
C26 C27 C28 119.6(5) . . ?
C23 C28 C27 121.1(5) . . ?
C23A P1A C17A 105.4(2) . . yes
C23A P1A C1A 101.8(2) . . yes
C17A P1A C1A 102.6(2) . . yes
C23A P1A Rh1 110.24(14) . . yes
C17A P1A Rh1 124.63(15) . . yes
C1A P1A Rh1 109.76(14) . . yes
C2A C1A C7A 114.1(4) . . ?
C2A C1A P1A 110.0(3) . . ?
C7A C1A P1A 111.6(3) . . ?
C8A C2A C3A 119.7(5) . . ?
C8A C2A C1A 118.3(4) . . ?
C3A C2A C1A 121.8(4) . . ?
C2A C3A C11A 117.0(4) . . ?
C2A C3A C4A 124.4(4) . . ?
C11A C3A C4A 118.6(4) . . ?
C5A C4A C3A 124.2(4) . . ?
C5A C4A C16A 117.4(4) . . ?
C3A C4A C16A 115.5(4) . . ?
C5A C4A Rh1 71.6(3) . . ?
C3A C4A Rh1 113.1(3) . . ?
C16A C4A Rh1 101.8(3) . . ?
C4A C5A C6A 130.9(4) . . ?
C4A C5A Rh1 75.4(2) . . ?
C6A C5A Rh1 112.5(3) . . ?
C12A C6A C7A 117.3(4) . . ?
C12A C6A C5A 118.1(4) . . ?
C7A C6A C5A 124.6(4) . . ?
C15A C7A C6A 120.3(4) . . ?
C15A C7A C1A 120.0(4) . . ?
C6A C7A C1A 119.6(4) . . ?
C9A C8A C2A 121.1(5) . . ?
C10A C9A C8A 120.3(5) . . ?
C9A C10A C11A 119.6(5) . . ?
C10A C11A C3A 122.4(5) . . ?
C13A C12A C6A 121.3(4) . . ?
C14A C13A C12A 120.4(4) . . ?
C13A C14A C15A 120.2(5) . . ?
C7A C15A C14A 120.5(4) . . ?
C18A C17A C22A 118.3(4) . . ?
C18A C17A P1A 119.3(4) . . ?
C22A C17A P1A 122.3(4) . . ?
C19A C18A C17A 120.7(6) . . ?
C20A C19A C18A 120.5(6) . . ?
C19A C20A C21A 121.0(6) . . ?
C20A C21A C22A 119.3(7) . . ?
C17A C22A C21A 120.1(6) . . ?
C24A C23A C28A 117.8(5) . . ?
C24A C23A P1A 119.6(4) . . ?
C28A C23A P1A 122.6(4) . . ?
C25A C24A C23A 121.7(5) . . ?
C26A C25A C24A 119.9(6) . . ?
C25A C26A C27A 120.3(6) . . ?
C26A C27A C28A 120.2(5) . . ?
C27A C28A C23A 120.0(5) . . ?
P1C Rh1B P1B 93.44(4) . . yes
P1C Rh1B C5C 90.84(11) . . yes
P1B Rh1B C5C 169.77(12) . . yes
P1C Rh1B C4C 89.73(10) . . yes
P1B Rh1B C4C 136.79(13) . . yes
C5C Rh1B C4C 33.84(14) . . yes
P1C Rh1B C5B 164.05(12) . . yes
P1B Rh1B C5B 89.15(11) . . yes
C5C Rh1B C5B 89.28(15) . . yes
C4C Rh1B C5B 99.13(14) . . yes
P1C Rh1B C4B 131.78(11) . . yes
P1B Rh1B C4B 89.78(10) . . yes
C5C Rh1B C4B 94.3(2) . . yes
C4C Rh1B C4B 119.07(15) . . yes
C5B Rh1B C4B 32.40(14) . . yes
C23B P1B C17B 104.2(2) . . yes
C23B P1B C1B 99.6(2) . . yes
C17B P1B C1B 103.3(2) . . yes
C23B P1B Rh1B 110.69(14) . . yes
C17B P1B Rh1B 125.75(13) . . yes
C1B P1B Rh1B 110.07(15) . . yes
C2B C1B C7B 113.9(3) . . ?
C2B C1B P1B 112.4(3) . . ?
C7B C1B P1B 108.7(3) . . ?
C8B C2B C3B 119.0(5) . . ?
C8B C2B C1B 118.1(4) . . ?
C3B C2B C1B 122.8(4) . . ?
C11B C3B C2B 117.3(4) . . ?
C11B C3B C4B 118.7(5) . . ?
C2B C3B C4B 123.9(4) . . ?
C5B C4B C3B 124.9(4) . . ?
C5B C4B C16B 118.2(4) . . ?
C3B C4B C16B 115.1(4) . . ?
C5B C4B Rh1B 69.5(3) . . ?
C3B C4B Rh1B 112.2(3) . . ?
C16B C4B Rh1B 101.7(3) . . ?
C4B C5B C6B 130.0(4) . . ?
C4B C5B Rh1B 78.1(2) . . ?
C6B C5B Rh1B 112.2(3) . . ?
C7B C6B C12B 117.3(4) . . ?
C7B C6B C5B 124.6(4) . . ?
C12B C6B C5B 118.1(4) . . ?
C15B C7B C6B 120.5(4) . . ?
C15B C7B C1B 119.1(4) . . ?
C6B C7B C1B 120.4(4) . . ?
C9B C8B C2B 122.0(6) . . ?
C8B C9B C10B 119.7(6) . . ?
C11B C10B C9B 119.3(6) . . ?
C10B C11B C3B 122.6(6) . . ?
C13B C12B C6B 121.6(5) . . ?
C12B C13B C14B 119.5(5) . . ?
C15B C14B C13B 120.8(5) . . ?
C14B C15B C7B 120.1(5) . . ?
C22B C17B C18B 118.4(4) . . ?
C22B C17B P1B 121.8(4) . . ?
C18B C17B P1B 119.8(4) . . ?
C19B C18B C17B 120.7(5) . . ?
C20B C19B C18B 118.8(5) . . ?
C21B C20B C19B 121.9(5) . . ?
C20B C21B C22B 119.1(6) . . ?
C17B C22B C21B 121.1(5) . . ?
C28B C23B C24B 117.7(4) . . ?
C28B C23B P1B 120.6(3) . . ?
C24B C23B P1B 121.3(3) . . ?
C25B C24B C23B 120.0(5) . . ?
C26B C25B C24B 120.1(5) . . ?
C27B C26B C25B 120.9(5) . . ?
C26B C27B C28B 119.7(5) . . ?
C23B C28B C27B 121.4(5) . . ?
C23C P1C C17C 106.9(2) . . yes
C23C P1C C1C 100.7(2) . . yes
C17C P1C C1C 103.3(2) . . yes
C23C P1C Rh1B 110.74(14) . . yes
C17C P1C Rh1B 122.61(13) . . yes
C1C P1C Rh1B 110.27(13) . . yes
C7C C1C C2C 114.3(3) . . ?
C7C C1C P1C 111.1(3) . . ?
C2C C1C P1C 109.0(3) . . ?
C8C C2C C3C 120.6(4) . . ?
C8C C2C C1C 117.7(4) . . ?
C3C C2C C1C 121.6(4) . . ?
C2C C3C C11C 116.3(4) . . ?
C2C C3C C4C 123.8(4) . . ?
C11C C3C C4C 119.8(4) . . ?
C5C C4C C3C 125.2(4) . . ?
C5C C4C C16C 115.6(4) . . ?
C3C C4C C16C 115.3(4) . . ?
C5C C4C Rh1B 71.5(2) . . ?
C3C C4C Rh1B 114.2(3) . . ?
C16C C4C Rh1B 103.4(3) . . ?
C4C C5C C6C 129.4(4) . . ?
C4C C5C Rh1B 74.6(2) . . ?
C6C C5C Rh1B 113.7(3) . . ?
C12C C6C C7C 117.8(4) . . ?
C12C C6C C5C 118.0(4) . . ?
C7C C6C C5C 124.3(4) . . ?
C15C C7C C6C 119.3(5) . . ?
C15C C7C C1C 120.5(4) . . ?
C6C C7C C1C 120.2(4) . . ?
C9C C8C C2C 121.0(5) . . ?
C10C C9C C8C 119.2(5) . . ?
C9C C10C C11C 120.7(5) . . ?
C10C C11C C3C 122.1(5) . . ?
C13C C12C C6C 121.2(5) . . ?
C12C C13C C14C 120.5(6) . . ?
C15C C14C C13C 119.4(5) . . ?
C14C C15C C7C 121.8(5) . . ?
C22C C17C C18C 118.2(4) . . ?
C22C C17C P1C 118.7(3) . . ?
C18C C17C P1C 123.1(4) . . ?
C19C C18C C17C 120.8(5) . . ?
C20C C19C C18C 120.8(6) . . ?
C19C C20C C21C 120.0(6) . . ?
C20C C21C C22C 119.7(5) . . ?
C17C C22C C21C 120.6(5) . . ?
C28C C23C C24C 116.8(4) . . ?
C28C C23C P1C 120.1(3) . . ?
C24C C23C P1C 123.0(3) . . ?
C25C C24C C23C 121.2(5) . . ?
C26C C25C C24C 120.1(5) . . ?
C25C C26C C27C 120.6(5) . . ?
C26C C27C C28C 119.6(5) . . ?
C27C C28C C23C 121.6(4) . . ?
F2A P2 F5 133.6(9) . . ?
F2A P2 F6 92.0(14) . . ?
F5 P2 F6 89.3(3) . . ?
F2A P2 F3 39.8(7) . . ?
F5 P2 F3 172.7(6) . . ?
F6 P2 F3 88.1(3) . . ?
F2A P2 F4A 166.2(20) . . ?
F5 P2 F4A 41.4(7) . . ?
F6 P2 F4A 100.3(14) . . ?
F3 P2 F4A 145.9(8) . . ?
F2A P2 F1 90.4(14) . . ?
F5 P2 F1 88.7(3) . . ?
F6 P2 F1 177.5(3) . . ?
F3 P2 F1 94.1(4) . . ?
F4A P2 F1 77.2(14) . . ?
F2A P2 F4 136.4(8) . . ?
F5 P2 F4 90.0(5) . . ?
F6 P2 F4 86.6(3) . . ?
F3 P2 F4 96.6(5) . . ?
F4A P2 F4 51.6(9) . . ?
F1 P2 F4 91.9(3) . . ?
F2A P2 F2 45.5(8) . . ?
F5 P2 F2 88.3(5) . . ?
F6 P2 F2 95.6(4) . . ?
F3 P2 F2 85.2(5) . . ?
F4A P2 F2 126.1(10) . . ?
F1 P2 F2 85.8(3) . . ?
F4 P2 F2 177.2(4) . . ?
F2A P2 F5A 86.6(12) . . ?
F5 P2 F5A 47.8(9) . . ?
F6 P2 F5A 81.9(15) . . ?
F3 P2 F5A 125.1(11) . . ?
F4A P2 F5A 89.0(11) . . ?
F1 P2 F5A 97.9(16) . . ?
F4 P2 F5A 136.0(12) . . ?
F2 P2 F5A 43.0(10) . . ?
F2A P2 F3A 94.0(7) . . ?
F5 P2 F3A 132.3(8) . . ?
F6 P2 F3A 90.8(2) . . ?
F3 P2 F3A 54.5(7) . . ?
F4A P2 F3A 92.1(8) . . ?
F1 P2 F3A 89.4(2) . . ?
F4 P2 F3A 42.5(6) . . ?
F2 P2 F3A 139.0(8) . . ?
F5A P2 F3A 172.6(15) . . ?
F2A F2 F5A 120.9(21) . . ?
F2A F2 P2 61.4(10) . . ?
F5A F2 P2 63.1(13) . . ?
F2 F2A F3 149.0(21) . . ?
F2 F2A P2 73.2(13) . . ?
F3 F2A P2 75.8(10) . . ?
F2A F3 F3A 127.5(16) . . ?
F2A F3 P2 64.4(12) . . ?
F3A F3 P2 63.6(7) . . ?
F4 F3A F3 129.7(13) . . ?
F4 F3A P2 68.6(8) . . ?
F3 F3A P2 61.9(7) . . ?
F4A F4 F3A 126.3(16) . . ?
F4A F4 P2 61.3(11) . . ?
F3A F4 P2 69.0(9) . . ?
F4 F4A F5 131.7(20) . . ?
F4 F4A P2 67.2(7) . . ?
F5 F4A P2 71.5(13) . . ?
F4A F5 F5A 129.5(17) . . ?
F4A F5 P2 67.1(10) . . ?
F5A F5 P2 62.7(11) . . ?
F2 F5A F5 136.6(23) . . ?
F2 F5A P2 73.9(13) . . ?
F5 F5A P2 69.5(13) . . ?
F12 P3 F11 89.9(3) . . ?
F12 P3 F10 89.9(3) . . ?
F11 P3 F10 89.8(3) . . ?
F12 P3 F9 94.9(3) . . ?
F11 P3 F9 174.7(3) . . ?
F10 P3 F9 88.1(3) . . ?
F12 P3 F7 177.9(3) . . ?
F11 P3 F7 88.1(3) . . ?
F10 P3 F7 90.7(3) . . ?
F9 P3 F7 87.1(3) . . ?
F12 P3 F8 90.3(3) . . ?
F11 P3 F8 92.0(3) . . ?
F10 P3 F8 178.1(3) . . ?
F9 P3 F8 90.0(3) . . ?
F7 P3 F8 89.0(3) . . ?
N1A C1A C2A 175.7(10) . . ?
N2A C3A C4A 173.9(13) . . ?

_refine_diff_density_max    0.501
_refine_diff_density_min   -0.366
_refine_diff_density_rms    0.054

#           ---end-of-data-block---

###### second structure#################



data_10

_publ_contact_author    'Hansjoerg Gruetzmacher'
_publ_contact_author_email      'gruetz@inorg.chem.ethz.ch'

loop_
__publ_author_name      'Stephan Deblon'
				'Hartmut Schoenberg'
				'Heinz Ruegger'
				'Sandra Loss'
				'Hansjoerg Gruetzmacher'

_journal_name_full      'New Journal of Chemistry'
_journal_volume         ?
_journal_page_first     ?
_journal_page_last      ?
_journal_year           ?
_ccdc_journal_depnumber ?

_audit_creation_method            SHELXL
_chemical_name_systematic
;
 ?
;
_chemical_name_common             'Allyltropp-methyltropp-rhodium'
_chemical_formula_moiety          ?
_chemical_formula_structural      ?
_chemical_formula_analytical      ?
_chemical_formula_sum             'C56.50 H45.50 Cl1.50 P2 Rh'
_chemical_formula_weight          942.45
_chemical_melting_point           ?
_chemical_compound_source         ?

_ccdc_compound_id       ''
_ccdc_biological_activity       ?
_ccdc_polymorph                 ?

_ccdc_chemdiag_type     ?

loop_
 _atom_type_symbol
 _atom_type_description
 _atom_type_scat_dispersion_real
 _atom_type_scat_dispersion_imag
 _atom_type_scat_source
 'C'  'C'   0.0181   0.0091
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'H'  'H'   0.0000   0.0000
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'P'  'P'   0.2955   0.4335
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Rh'  'Rh'   0.0927   3.6045
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Cl'  'Cl'   0.3639   0.7018
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting            monoclinic
_symmetry_space_group_name_H-M    'C2/c'

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

_cell_length_a                    45.899(51)
_cell_length_b                    10.159(10)
_cell_length_c                    19.773(19)
_cell_angle_alpha                 90.00
_cell_angle_beta                  102.27(8)
_cell_angle_gamma                 90.00
_cell_volume                      9009.3(159)
_cell_formula_units_Z             8
_cell_measurement_temperature     293(2)
_cell_measurement_reflns_used     16
_cell_measurement_theta_min       20
_cell_measurement_theta_max       25

_exptl_crystal_description        prism
_exptl_crystal_colour             orange
_exptl_crystal_size_max           0.3
_exptl_crystal_size_mid           0.2
_exptl_crystal_size_min           0.1
_exptl_crystal_density_meas       ?
_exptl_crystal_density_diffrn     1.390
_exptl_crystal_density_method     ?
_exptl_crystal_F_000              3880
_exptl_absorpt_coefficient_mu     4.842
_exptl_absorpt_correction_type    none
_exptl_absorpt_correction_T_min   ?
_exptl_absorpt_correction_T_max   ?

_exptl_special_details
;
 ?
;

_diffrn_ambient_temperature       293(2)
_diffrn_radiation_wavelength      1.54178
_diffrn_radiation_type            CuK\a
_diffrn_radiation_source          'fine-focus sealed tube'
_diffrn_radiation_monochromator   graphite
_diffrn_measurement_device        'PICKER 4-circle Stoe upgrade'
_diffrn_measurement_method        ' \w scans'
_diffrn_standards_number          1
_diffrn_standards_interval_count  120
_diffrn_standards_interval_time   ?
_diffrn_standards_decay_%         ?
_diffrn_reflns_number             4804
_diffrn_reflns_av_R_equivalents   0.0428
_diffrn_reflns_av_sigmaI/netI     0.0395
_diffrn_reflns_limit_h_min        -45
_diffrn_reflns_limit_h_max        44
_diffrn_reflns_limit_k_min        0
_diffrn_reflns_limit_k_max        10
_diffrn_reflns_limit_l_min        0
_diffrn_reflns_limit_l_max        19
_diffrn_reflns_theta_min          1.97
_diffrn_reflns_theta_max          49.99
_reflns_number_total              4620
_reflns_number_observed           3759
_reflns_observed_criterion        >2sigma(I)

_computing_data_collection        'PICKER STOE DIF4'
_computing_cell_refinement        'STOE DIF4'
_computing_data_reduction         'STOE REDU4'
_computing_structure_solution     'SHELXS-86 (Sheldrick, 1990)'
_computing_structure_refinement   'SHELXL-93 (Sheldrick, 1993)'
_computing_molecular_graphics     SHELXTL-Plus
_computing_publication_material   SHELXTL-93

_refine_special_details
;
 Refinement on F^2^ for ALL reflections except for 0 with very negative F^2^
 or flagged by the user for potential systematic errors.  Weighted R-factors
 wR and all goodnesses of fit S are based on F^2^, conventional R-factors R
 are based on F, with F set to zero for negative F^2^. The observed criterion
 of F^2^ > 2sigma(F^2^) is used only for calculating _R_factor_obs etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F^2^ 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 w=1/[\s^2^(Fo^2^)+(0.0745P)^2^+10.6119P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary      direct
_atom_sites_solution_secondary    difmap
_atom_sites_solution_hydrogens    geom
_refine_ls_hydrogen_treatment     ?
_refine_ls_extinction_method      none
_refine_ls_extinction_coef        ?
_refine_ls_number_reflns          4620
_refine_ls_number_parameters      564
_refine_ls_number_restraints      1
_refine_ls_R_factor_all           0.0605
_refine_ls_R_factor_obs           0.0455
_refine_ls_wR_factor_all          0.1218
_refine_ls_wR_factor_obs          0.1132
_refine_ls_goodness_of_fit_all    1.073
_refine_ls_goodness_of_fit_obs    1.122
_refine_ls_restrained_S_all       1.073
_refine_ls_restrained_S_obs       1.122
_refine_ls_shift/esd_max          0.355
_refine_ls_shift/esd_mean         0.004

_ccdc_disorder  ?
_ccdc_comments  ?

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_thermal_displace_type
 _atom_site_occupancy
 _atom_site_calc_flag
 _atom_site_refinement_flags
 _atom_site_disorder_group
Rh1 Rh 0.130877(7) 0.10322(3) 0.05229(2) 0.03680(10) Uani 1 d . .
P1 P 0.09569(2) 0.21860(10) -0.02936(5) 0.0348(3) Uani 1 d . .
P1A P 0.17363(2) 0.15170(10) 0.01641(5) 0.0350(3) Uani 1 d . .
C1 C 0.06104(9) 0.1132(4) -0.0510(2) 0.0366(12) Uani 1 d . .
H1A H 0.04672(9) 0.1587(4) -0.0856(2) 0.055 Uiso 1 d R .
C2 C 0.06781(9) -0.0156(4) -0.0820(2) 0.0366(11) Uani 1 d . .
C3 C 0.08949(9) -0.1026(4) -0.0470(2) 0.0373(11) Uani 1 d . .
C4 C 0.10601(9) -0.0773(4) 0.0249(2) 0.0368(12) Uani 1 d . .
C5 C 0.09417(9) -0.0136(4) 0.0781(2) 0.0401(12) Uani 1 d . .
H5A H 0.10064(9) -0.0583(4) 0.1215(2) 0.060 Uiso 1 d R .
C6 C 0.06369(9) 0.0367(4) 0.0715(2) 0.0369(11) Uani 1 d . .
C7 C 0.04781(9) 0.0984(4) 0.0119(2) 0.0355(11) Uani 1 d . .
C8 C 0.05372(10) -0.0453(5) -0.1495(2) 0.0489(13) Uani 1 d . .
H8A H 0.03902(10) 0.0152(5) -0.1735(2) 0.073 Uiso 1 d R .
C9 C 0.06014(12) -0.1572(5) -0.1825(2) 0.061(2) Uani 1 d . .
H9A H 0.04962(12) -0.1764(5) -0.2289(2) 0.092 Uiso 1 d R .
C10 C 0.08156(13) -0.2426(5) -0.1482(3) 0.066(2) Uani 1 d . .
H10A H 0.08669(13) -0.3200(5) -0.1710(3) 0.099 Uiso 1 d R .
C11 C 0.09564(11) -0.2158(5) -0.0815(2) 0.0566(15) Uani 1 d . .
H11A H 0.11025(11) -0.2766(5) -0.0574(2) 0.085 Uiso 1 d R .
C12 C 0.05043(9) 0.0285(5) 0.1290(2) 0.0502(14) Uani 1 d . .
H12A H 0.06119(9) -0.0127(5) 0.1706(2) 0.075 Uiso 1 d R .
C13 C 0.02255(10) 0.0781(5) 0.1269(2) 0.0551(14) Uani 1 d . .
H13A H 0.01369(10) 0.0694(5) 0.1665(2) 0.083 Uiso 1 d R .
C14 C 0.00686(10) 0.1403(5) 0.0685(2) 0.0533(14) Uani 1 d . .
H14A H -0.01247(10) 0.1771(5) 0.0678(2) 0.080 Uiso 1 d R .
C15 C 0.01949(10) 0.1494(4) 0.0114(2) 0.0477(14) Uani 1 d . .
H15A H 0.00857(10) 0.1910(4) -0.0298(2) 0.072 Uiso 1 d R .
C16 C 0.13590(11) -0.1210(5) 0.0477(3) 0.057(2) Uani 1 d . .
C17 C 0.10151(9) 0.2477(4) -0.1165(2) 0.0385(12) Uani 1 d . .
C18 C 0.11023(10) 0.1453(5) -0.1529(2) 0.0520(14) Uani 1 d . .
H18A H 0.11411(10) 0.0615(5) -0.1304(2) 0.078 Uiso 1 d R .
C19 C 0.11418(11) 0.1578(6) -0.2197(2) 0.063(2) Uani 1 d . .
H19A H 0.11939(11) 0.0825(6) -0.2440(2) 0.095 Uiso 1 d R .
C20 C 0.10990(13) 0.2763(6) -0.2517(3) 0.076(2) Uani 1 d . .
H20A H 0.11293(13) 0.2857(6) -0.2980(3) 0.115 Uiso 1 d R .
C21 C 0.10179(14) 0.3807(6) -0.2174(3) 0.083(2) Uani 1 d . .
H21A H 0.09906(14) 0.4646(6) -0.2402(3) 0.125 Uiso 1 d R .
C22 C 0.09753(12) 0.3681(5) -0.1503(2) 0.060(2) Uani 1 d . .
H22A H 0.09163(12) 0.4431(5) -0.1269(2) 0.089 Uiso 1 d R .
C23 C 0.07938(9) 0.3756(4) -0.0096(2) 0.0409(12) Uani 1 d . .
C24 C 0.05149(11) 0.4202(5) -0.0433(3) 0.065(2) Uani 1 d . .
H24A H 0.03985(11) 0.3670(5) -0.0793(3) 0.097 Uiso 1 d R .
C25 C 0.04034(12) 0.5397(5) -0.0260(3) 0.080(2) Uani 1 d . .
H25A H 0.02094(12) 0.5690(5) -0.0495(3) 0.119 Uiso 1 d R .
C26 C 0.05720(13) 0.6166(6) 0.0249(3) 0.078(2) Uani 1 d . .
H26A H 0.04925(13) 0.6973(6) 0.0387(3) 0.117 Uiso 1 d R .
C27 C 0.08526(13) 0.5758(5) 0.0567(3) 0.071(2) Uani 1 d . .
H27A H 0.09743(13) 0.6316(5) 0.0905(3) 0.106 Uiso 1 d R .
C28 C 0.09600(11) 0.4569(5) 0.0397(2) 0.0539(14) Uani 1 d . .
H28A H 0.11566(11) 0.4292(5) 0.0623(2) 0.081 Uiso 1 d R .
C1A C 0.20264(9) 0.2021(4) 0.0942(2) 0.0397(12) Uani 1 d . .
H1AA H 0.22066(9) 0.2211(4) 0.0787(2) 0.059 Uiso 1 d R .
C2A C 0.19299(9) 0.3274(4) 0.1243(2) 0.0408(12) Uani 1 d . .
C3A C 0.16644(10) 0.3347(4) 0.1495(2) 0.0413(12) Uani 1 d . .
C4A C 0.14593(9) 0.2220(4) 0.1523(2) 0.0414(12) Uani 1 d . .
C5A C 0.15604(9) 0.0893(4) 0.1601(2) 0.0401(12) Uani 1 d . .
H5AA H 0.14453(9) 0.0420(4) 0.1874(2) 0.060 Uiso 1 d R .
C6A C 0.18682(9) 0.0404(4) 0.1758(2) 0.0372(12) Uani 1 d . .
C7A C 0.20945(9) 0.0922(4) 0.1458(2) 0.0387(12) Uani 1 d . .
C8A C 0.21030(10) 0.4387(5) 0.1230(2) 0.0524(14) Uani 1 d . .
H8AA H 0.22847(10) 0.4304(5) 0.1067(2) 0.079 Uiso 1 d R .
C9A C 0.20250(12) 0.5597(5) 0.1444(3) 0.064(2) Uani 1 d . .
H9AA H 0.21474(12) 0.6357(5) 0.1424(3) 0.096 Uiso 1 d R .
C10A C 0.17667(12) 0.5703(5) 0.1686(2) 0.057(2) Uani 1 d . .
H10B H 0.17053(12) 0.6545(5) 0.1826(2) 0.086 Uiso 1 d R .
C11A C 0.15915(11) 0.4597(5) 0.1725(2) 0.0530(14) Uani 1 d . .
H11B H 0.14173(11) 0.4682(5) 0.1918(2) 0.080 Uiso 1 d R .
C12A C 0.19414(10) -0.0647(5) 0.2224(2) 0.0474(13) Uani 1 d . .
H12B H 0.17877(10) -0.1032(5) 0.2422(2) 0.071 Uiso 1 d R .
C13A C 0.22264(11) -0.1137(5) 0.2402(2) 0.058(2) Uani 1 d . .
H13B H 0.22726(11) -0.1838(5) 0.2732(2) 0.087 Uiso 1 d R .
C14A C 0.24484(11) -0.0601(5) 0.2110(2) 0.059(2) Uani 1 d . .
H14B H 0.26466(11) -0.0956(5) 0.2223(2) 0.088 Uiso 1 d R .
C15A C 0.23820(10) 0.0430(5) 0.1645(2) 0.0516(14) Uani 1 d . .
H15B H 0.25368(10) 0.0819(5) 0.1452(2) 0.077 Uiso 1 d R .
C16A C 0.11899(10) 0.2502(5) 0.1828(3) 0.064(2) Uani 1 d . .
H16C H 0.12493(10) 0.2997(5) 0.2248(3) 0.097 Uiso 1 d R .
H16D H 0.10466(10) 0.2999(5) 0.1502(3) 0.097 Uiso 1 d R .
H16E H 0.11025(10) 0.1684(5) 0.1925(3) 0.097 Uiso 1 d R .
C17A C 0.17577(9) 0.2890(4) -0.0429(2) 0.0346(11) Uani 1 d . .
C18A C 0.16573(10) 0.4129(4) -0.0286(2) 0.0461(13) Uani 1 d . .
H18B H 0.15745(10) 0.4246(4) 0.0117(2) 0.069 Uiso 1 d R .
C19A C 0.16726(11) 0.5186(5) -0.0715(3) 0.0565(15) Uani 1 d . .
H19B H 0.16146(11) 0.6045(5) -0.0590(3) 0.085 Uiso 1 d R .
C20A C 0.17766(11) 0.5016(5) -0.1314(2) 0.0566(15) Uani 1 d . .
H20B H 0.17841(11) 0.5745(5) -0.1618(2) 0.085 Uiso 1 d R .
C21A C 0.18656(10) 0.3792(5) -0.1471(2) 0.0472(13) Uani 1 d . .
H21B H 0.19332(10) 0.3659(5) -0.1893(2) 0.071 Uiso 1 d R .
C22A C 0.18609(9) 0.2738(5) -0.1029(2) 0.0428(13) Uani 1 d . .
H22B H 0.19294(9) 0.1890(5) -0.1142(2) 0.064 Uiso 1 d R .
C23A C 0.19214(9) 0.0214(4) -0.0239(2) 0.0420(12) Uani 1 d . .
C24A C 0.17474(12) -0.0525(5) -0.0766(3) 0.0591(15) Uani 1 d . .
H24B H 0.15349(12) -0.0412(5) -0.0871(3) 0.089 Uiso 1 d R .
C25A C 0.18792(14) -0.1418(5) -0.1139(3) 0.080(2) Uani 1 d . .
H25B H 0.17598(14) -0.1888(5) -0.1521(3) 0.120 Uiso 1 d R .
C26A C 0.21830(14) -0.1641(5) -0.0965(3) 0.082(2) Uani 1 d . .
H26B H 0.22734(14) -0.2282(5) -0.1212(3) 0.123 Uiso 1 d R .
C27A C 0.23521(12) -0.0945(5) -0.0442(3) 0.070(2) Uani 1 d . .
H27B H 0.25626(12) -0.1113(5) -0.0320(3) 0.105 Uiso 1 d R .
C28A C 0.22305(10) -0.0005(5) -0.0083(3) 0.0568(15) Uani 1 d . .
H28B H 0.23556(10) 0.0501(5) 0.0275(3) 0.085 Uiso 1 d R .
H161 H 0.1416(11) -0.1615(53) 0.0994(26) 0.086(17) Uiso 1 d . .
H162 H 0.1460(9) -0.1477(42) 0.0130(21) 0.051(13) Uiso 1 d . .
Cl1 Cl 0.0000 0.5251(15) -0.2500 0.726(11) Uani 1 d S .
Cl2 Cl -0.0212(3) 0.3735(22) -0.1990(7) 0.969(17) Uani 1 d . .
C1C C 0.0000 0.2944(11) -0.2500 0.456(12) Uani 1 d SD .
H1CA H 0.0105(7) 0.2084(21) -0.2381(85) 0.580 Uiso 0.50 d PD .

loop_
 _atom_site_aniso_label
 _atom_site_aniso_U_11
 _atom_site_aniso_U_22
 _atom_site_aniso_U_33
 _atom_site_aniso_U_23
 _atom_site_aniso_U_13
 _atom_site_aniso_U_12
Rh1 0.0354(2) 0.0379(2) 0.0366(2) 0.0094(2) 0.00646(14) -0.0036(2)
P1 0.0376(6) 0.0310(6) 0.0353(6) 0.0034(5) 0.0064(5) 0.0002(5)
P1A 0.0380(6) 0.0300(6) 0.0381(6) 0.0033(5) 0.0106(5) -0.0008(5)
C1 0.038(2) 0.033(2) 0.037(2) 0.008(2) 0.005(2) 0.000(2)
C2 0.041(2) 0.034(2) 0.038(2) 0.001(2) 0.016(2) -0.006(2)
C3 0.047(2) 0.032(2) 0.035(2) 0.006(2) 0.015(2) -0.004(2)
C4 0.038(2) 0.022(2) 0.051(3) 0.007(2) 0.012(2) -0.002(2)
C5 0.044(2) 0.039(3) 0.039(2) 0.013(2) 0.011(2) -0.007(2)
C6 0.041(2) 0.029(2) 0.044(2) -0.003(2) 0.016(2) -0.008(2)
C7 0.033(2) 0.032(2) 0.040(2) -0.001(2) 0.006(2) -0.002(2)
C8 0.054(3) 0.046(3) 0.047(3) 0.003(2) 0.011(2) -0.005(2)
C9 0.086(4) 0.056(3) 0.040(3) -0.006(3) 0.011(3) -0.014(3)
C10 0.107(4) 0.040(3) 0.052(3) -0.011(3) 0.019(3) -0.001(3)
C11 0.074(3) 0.040(3) 0.059(3) 0.002(3) 0.021(3) 0.006(3)
C12 0.041(2) 0.065(3) 0.047(3) 0.001(3) 0.015(2) -0.012(2)
C13 0.055(3) 0.063(3) 0.052(3) -0.016(3) 0.024(2) -0.015(3)
C14 0.041(2) 0.056(3) 0.065(3) -0.010(3) 0.017(2) -0.003(2)
C15 0.046(3) 0.038(3) 0.058(3) -0.003(2) 0.007(2) -0.005(2)
C16 0.054(3) 0.047(3) 0.071(3) 0.003(3) 0.016(3) 0.000(2)
C17 0.038(2) 0.039(3) 0.036(2) 0.003(2) 0.002(2) -0.010(2)
C18 0.054(3) 0.061(3) 0.043(3) 0.011(2) 0.015(2) -0.001(3)
C19 0.067(3) 0.079(4) 0.047(3) 0.002(3) 0.018(2) -0.004(3)
C20 0.095(4) 0.103(5) 0.032(3) -0.002(3) 0.015(3) -0.028(4)
C21 0.121(5) 0.075(4) 0.053(3) 0.027(3) 0.017(3) -0.012(4)
C22 0.092(4) 0.043(3) 0.044(3) 0.008(2) 0.014(3) -0.007(3)
C23 0.048(2) 0.030(2) 0.046(3) 0.004(2) 0.014(2) 0.003(2)
C24 0.049(3) 0.040(3) 0.097(4) 0.007(3) 0.000(3) 0.003(2)
C25 0.061(3) 0.048(3) 0.127(5) -0.002(4) 0.014(3) 0.014(3)
C26 0.099(4) 0.049(3) 0.094(4) 0.004(3) 0.039(3) 0.021(3)
C27 0.096(4) 0.051(3) 0.062(3) -0.013(3) 0.009(3) 0.016(3)
C28 0.066(3) 0.054(3) 0.041(3) -0.003(3) 0.010(2) 0.006(3)
C1A 0.035(2) 0.042(3) 0.044(2) 0.005(2) 0.011(2) -0.003(2)
C2A 0.042(2) 0.043(3) 0.035(2) 0.002(2) 0.002(2) -0.004(2)
C3A 0.050(3) 0.042(3) 0.029(2) -0.001(2) 0.003(2) -0.002(2)
C4A 0.049(2) 0.045(3) 0.031(2) 0.004(2) 0.010(2) 0.000(2)
C5A 0.037(2) 0.043(3) 0.039(2) 0.006(2) 0.006(2) -0.005(2)
C6A 0.049(2) 0.031(2) 0.030(2) 0.001(2) 0.004(2) -0.003(2)
C7A 0.037(2) 0.041(3) 0.035(2) 0.002(2) 0.001(2) 0.003(2)
C8A 0.055(3) 0.046(3) 0.055(3) -0.005(2) 0.008(2) -0.018(2)
C9A 0.081(4) 0.050(3) 0.059(3) -0.006(3) 0.011(3) -0.021(3)
C10A 0.085(4) 0.032(3) 0.046(3) -0.007(2) -0.007(3) -0.003(3)
C11A 0.064(3) 0.054(3) 0.037(3) -0.009(2) 0.001(2) 0.006(3)
C12A 0.049(3) 0.047(3) 0.043(3) 0.004(2) 0.003(2) -0.008(2)
C13A 0.067(3) 0.048(3) 0.052(3) 0.009(3) -0.001(3) 0.010(3)
C14A 0.046(3) 0.070(3) 0.055(3) -0.001(3) -0.002(2) 0.017(3)
C15A 0.044(3) 0.061(3) 0.045(3) 0.005(3) 0.000(2) 0.000(3)
C16A 0.065(3) 0.062(3) 0.068(3) 0.001(3) 0.020(3) 0.003(3)
C17A 0.034(2) 0.030(2) 0.039(2) 0.004(2) 0.005(2) -0.006(2)
C18A 0.050(3) 0.042(3) 0.047(3) 0.008(2) 0.014(2) 0.001(2)
C19A 0.070(3) 0.031(3) 0.069(3) 0.006(3) 0.016(3) 0.006(2)
C20A 0.076(3) 0.046(3) 0.049(3) 0.016(2) 0.015(3) -0.010(3)
C21A 0.052(3) 0.053(3) 0.039(2) 0.003(2) 0.017(2) -0.010(2)
C22A 0.052(3) 0.041(3) 0.036(2) 0.002(2) 0.011(2) -0.004(2)
C23A 0.055(3) 0.028(2) 0.049(3) 0.010(2) 0.026(2) 0.002(2)
C24A 0.072(3) 0.031(3) 0.075(3) -0.009(3) 0.018(3) -0.003(3)
C25A 0.112(5) 0.039(3) 0.092(4) -0.022(3) 0.028(4) -0.003(3)
C26A 0.107(4) 0.041(3) 0.113(4) -0.003(3) 0.058(4) 0.016(3)
C27A 0.070(3) 0.051(3) 0.097(4) 0.015(3) 0.039(3) 0.015(3)
C28A 0.059(3) 0.055(3) 0.062(3) 0.003(3) 0.026(2) 0.010(3)
Cl1 0.547(13) 0.514(20) 0.850(23) 0.000 -0.449(14) 0.000
Cl2 0.518(15) 1.593(47) 0.651(21) 0.252(25) -0.201(13) -0.331(20)
C1C 0.477(18) 0.170(17) 0.479(20) 0.000 -0.443(15) 0.000

_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 C4 2.168(4) . ?
Rh1 C5A 2.203(5) . ?
Rh1 C5 2.208(4) . ?
Rh1 P1A 2.278(2) . ?
Rh1 C16 2.293(6) . ?
Rh1 C4A 2.295(4) . ?
Rh1 P1 2.341(2) . ?
P1 C17 1.823(5) . ?
P1 C23 1.839(5) . ?
P1 C1 1.890(4) . ?
P1A C17A 1.839(4) . ?
P1A C23A 1.843(5) . ?
P1A C1A 1.879(4) . ?
C1 C7 1.504(6) . ?
C1 C2 1.505(6) . ?
C2 C8 1.387(6) . ?
C2 C3 1.400(6) . ?
C3 C11 1.397(6) . ?
C3 C4 1.484(6) . ?
C4 C16 1.421(6) . ?
C4 C5 1.437(6) . ?
C5 C6 1.469(6) . ?
C6 C7 1.395(6) . ?
C6 C12 1.401(6) . ?
C7 C15 1.397(6) . ?
C8 C9 1.374(7) . ?
C9 C10 1.377(7) . ?
C10 C11 1.367(7) . ?
C12 C13 1.368(6) . ?
C13 C14 1.378(7) . ?
C14 C15 1.377(7) . ?
C16 H162 0.95(4) . ?
C16 H161 1.08(5) . ?
C17 C18 1.373(6) . ?
C17 C22 1.387(6) . ?
C18 C19 1.376(7) . ?
C19 C20 1.355(8) . ?
C20 C21 1.353(8) . ?
C21 C22 1.387(7) . ?
C23 C28 1.378(6) . ?
C23 C24 1.387(6) . ?
C24 C25 1.388(7) . ?
C25 C26 1.376(8) . ?
C26 C27 1.372(8) . ?
C27 C28 1.373(7) . ?
C1A C7A 1.501(6) . ?
C1A C2A 1.511(6) . ?
C2A C8A 1.385(6) . ?
C2A C3A 1.413(6) . ?
C3A C11A 1.413(7) . ?
C3A C4A 1.490(6) . ?
C4A C5A 1.424(6) . ?
C4A C16A 1.513(7) . ?
C5A C6A 1.467(6) . ?
C6A C12A 1.403(6) . ?
C6A C7A 1.404(6) . ?
C7A C15A 1.386(6) . ?
C8A C9A 1.372(7) . ?
C9A C10A 1.373(8) . ?
C10A C11A 1.393(7) . ?
C12A C13A 1.373(7) . ?
C13A C14A 1.385(7) . ?
C14A C15A 1.384(7) . ?
C17A C22A 1.376(6) . ?
C17A C18A 1.390(6) . ?
C18A C19A 1.378(6) . ?
C19A C20A 1.379(7) . ?
C20A C21A 1.365(7) . ?
C21A C22A 1.385(6) . ?
C23A C24A 1.391(6) . ?
C23A C28A 1.404(6) . ?
C24A C25A 1.386(8) . ?
C25A C26A 1.382(8) . ?
C26A C27A 1.354(8) . ?
C27A C28A 1.377(7) . ?
Cl1 Cl2 2.18(2) . ?
Cl1 Cl2 2.18(2) 2_554 ?
Cl2 C1C 1.74(2) . ?
C1C Cl2 1.74(2) 2_554 ?

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
C4 Rh1 C5A 109.1(2) . . ?
C4 Rh1 C5 38.3(2) . . ?
C5A Rh1 C5 90.6(2) . . ?
C4 Rh1 P1A 123.23(12) . . ?
C5A Rh1 P1A 90.36(14) . . ?
C5 Rh1 P1A 159.83(12) . . ?
C4 Rh1 C16 37.0(2) . . ?
C5A Rh1 C16 86.5(2) . . ?
C5 Rh1 C16 64.1(2) . . ?
P1A Rh1 C16 95.84(13) . . ?
C4 Rh1 C4A 135.0(2) . . ?
C5A Rh1 C4A 36.8(2) . . ?
C5 Rh1 C4A 100.9(2) . . ?
P1A Rh1 C4A 91.90(13) . . ?
C16 Rh1 C4A 122.9(2) . . ?
C4 Rh1 P1 90.11(13) . . ?
C5A Rh1 P1 147.42(12) . . ?
C5 Rh1 P1 88.86(13) . . ?
P1A Rh1 P1 100.99(8) . . ?
C16 Rh1 P1 122.02(13) . . ?
C4A Rh1 P1 111.61(13) . . ?
C17 P1 C23 102.0(2) . . ?
C17 P1 C1 99.4(2) . . ?
C23 P1 C1 100.3(2) . . ?
C17 P1 Rh1 121.0(2) . . ?
C23 P1 Rh1 122.71(15) . . ?
C1 P1 Rh1 107.25(15) . . ?
C17A P1A C23A 100.2(2) . . ?
C17A P1A C1A 101.0(2) . . ?
C23A P1A C1A 103.8(2) . . ?
C17A P1A Rh1 121.96(14) . . ?
C23A P1A Rh1 119.1(2) . . ?
C1A P1A Rh1 108.2(2) . . ?
C7 C1 C2 113.9(3) . . ?
C7 C1 P1 109.7(3) . . ?
C2 C1 P1 110.4(3) . . ?
C8 C2 C3 118.4(4) . . ?
C8 C2 C1 119.1(4) . . ?
C3 C2 C1 122.3(4) . . ?
C11 C3 C2 118.3(4) . . ?
C11 C3 C4 119.7(4) . . ?
C2 C3 C4 122.0(4) . . ?
C16 C4 C5 113.5(4) . . ?
C16 C4 C3 120.8(4) . . ?
C5 C4 C3 125.7(4) . . ?
C16 C4 Rh1 76.3(3) . . ?
C5 C4 Rh1 72.3(2) . . ?
C3 C4 Rh1 121.3(3) . . ?
C4 C5 C6 126.4(4) . . ?
C4 C5 Rh1 69.3(2) . . ?
C6 C5 Rh1 123.5(3) . . ?
C7 C6 C12 118.2(4) . . ?
C7 C6 C5 123.2(4) . . ?
C12 C6 C5 118.5(4) . . ?
C6 C7 C15 119.4(4) . . ?
C6 C7 C1 120.9(4) . . ?
C15 C7 C1 119.7(4) . . ?
C9 C8 C2 122.3(4) . . ?
C8 C9 C10 119.3(4) . . ?
C11 C10 C9 119.5(5) . . ?
C10 C11 C3 122.2(5) . . ?
C13 C12 C6 121.2(4) . . ?
C12 C13 C14 120.9(5) . . ?
C15 C14 C13 118.8(4) . . ?
C14 C15 C7 121.5(4) . . ?
H162 C16 H161 121.3(38) . . ?
H162 C16 C4 116.7(24) . . ?
H161 C16 C4 116.1(27) . . ?
H162 C16 Rh1 112.5(27) . . ?
H161 C16 Rh1 110.2(29) . . ?
C4 C16 Rh1 66.7(2) . . ?
C18 C17 C22 116.0(4) . . ?
C18 C17 P1 119.4(3) . . ?
C22 C17 P1 124.6(4) . . ?
C17 C18 C19 123.1(5) . . ?
C20 C19 C18 119.6(5) . . ?
C21 C20 C19 119.3(5) . . ?
C20 C21 C22 121.1(5) . . ?
C17 C22 C21 120.8(5) . . ?
C28 C23 C24 117.4(4) . . ?
C28 C23 P1 118.7(3) . . ?
C24 C23 P1 123.9(4) . . ?
C23 C24 C25 121.2(5) . . ?
C26 C25 C24 119.8(5) . . ?
C27 C26 C25 119.4(5) . . ?
C26 C27 C28 120.3(5) . . ?
C27 C28 C23 121.8(5) . . ?
C7A C1A C2A 113.2(4) . . ?
C7A C1A P1A 111.3(3) . . ?
C2A C1A P1A 109.6(3) . . ?
C8A C2A C3A 120.3(4) . . ?
C8A C2A C1A 117.6(4) . . ?
C3A C2A C1A 122.0(4) . . ?
C11A C3A C2A 116.2(4) . . ?
C11A C3A C4A 118.9(4) . . ?
C2A C3A C4A 124.9(4) . . ?
C5A C4A C3A 122.5(4) . . ?
C5A C4A C16A 114.3(4) . . ?
C3A C4A C16A 116.5(4) . . ?
C5A C4A Rh1 68.1(2) . . ?
C3A C4A Rh1 116.7(3) . . ?
C16A C4A Rh1 108.7(3) . . ?
C4A C5A C6A 128.4(4) . . ?
C4A C5A Rh1 75.1(2) . . ?
C6A C5A Rh1 120.6(3) . . ?
C12A C6A C7A 117.8(4) . . ?
C12A C6A C5A 118.8(4) . . ?
C7A C6A C5A 123.3(4) . . ?
C15A C7A C6A 120.0(4) . . ?
C15A C7A C1A 119.9(4) . . ?
C6A C7A C1A 120.1(4) . . ?
C9A C8A C2A 122.5(5) . . ?
C8A C9A C10A 118.6(5) . . ?
C9A C10A C11A 120.5(5) . . ?
C10A C11A C3A 121.9(5) . . ?
C13A C12A C6A 121.7(4) . . ?
C12A C13A C14A 119.7(5) . . ?
C15A C14A C13A 119.8(4) . . ?
C14A C15A C7A 120.8(5) . . ?
C22A C17A C18A 117.8(4) . . ?
C22A C17A P1A 122.7(3) . . ?
C18A C17A P1A 119.5(3) . . ?
C19A C18A C17A 121.2(4) . . ?
C18A C19A C20A 120.2(4) . . ?
C21A C20A C19A 119.0(4) . . ?
C20A C21A C22A 121.0(4) . . ?
C17A C22A C21A 120.8(4) . . ?
C24A C23A C28A 118.2(4) . . ?
C24A C23A P1A 117.9(3) . . ?
C28A C23A P1A 123.8(3) . . ?
C25A C24A C23A 120.4(5) . . ?
C26A C25A C24A 120.4(5) . . ?
C27A C26A C25A 119.3(5) . . ?
C26A C27A C28A 121.8(5) . . ?
C27A C28A C23A 119.8(5) . . ?
Cl2 Cl1 Cl2 90.1(12) . 2_554 ?
C1C Cl2 Cl1 72.5(7) . . ?
Cl2 C1C Cl2 125.0(15) . 2_554 ?

_refine_diff_density_max    0.874
_refine_diff_density_min   -0.968
_refine_diff_density_rms    0.078


#           ---end-of-data-block---