data_global
_journal_name_full               'Dalton Trans.'
_journal_coden_cambridge         0222
_journal_year                    ?
_journal_volume                  ?
_journal_page_first              ?
loop_
_publ_author_name
_publ_author_address
'Bechlars, B.'
;
Department Chemie,
Lehrstuhl f\"ur Anorganische Chemie,
Technische Universit\"at M\"unchen,
Lichtenbergstrasse 4,
D-85747 Garching bei M\"unchen,
Germany.
;
S.K.U.Riederer
;
Department Chemie,
Lehrstuhl f\"ur Anorganische Chemie,
Technische Universit\"at M\"unchen,
Lichtenbergstrasse 4,
D-85747 Garching bei M\"unchen,
Germany.
;
'Bechlars, B.'
;
Department Chemie,
Lehrstuhl f\"ur Anorganische Chemie,
Technische Universit\"at M\"unchen,
Lichtenbergstrasse 4,
D-85747 Garching bei M\"unchen,
Germany.
;
W.A.Herrmann
;
Department Chemie,
Lehrstuhl f\"ur Anorganische Chemie,
Technische Universit\"at M\"unchen,
Lichtenbergstrasse 4,
D-85747 Garching bei M\"unchen,
Germany.
;
F.E.Kuhn
;
Department Chemie,
Lehrstuhl f\"ur Anorganische Chemie,
Technische Universit\"at M\"unchen,
Lichtenbergstrasse 4,
D-85747 Garching bei M\"unchen,
Germany.
;
_publ_contact_author_address     
;
Department Chemie,
Lehrstuhl f\"ur Anorganische Chemie,
Technische Universit\"at M\"unchen,
Lichtenbergstrasse 4,
D-85747 Garching bei M\"unchen,
Germany.
;
_publ_contact_author_email       eberhardt.herdtweck@ch.tum.de
_publ_contact_author_fax         '+49(0)89 289 13473'
_publ_contact_author_phone       '+49(0)89 289 13073'

#===================================================================
# 1. SUBMISSION DETAILS
#===================================================================

# Name and address of author for X-ray correspondence

_publ_contact_author_name        'Dr. Bettina Bechlars'

_publ_contact_letter             # Include date of submission
;
Date of submission: ??/??/????
;
# Publication choise FI FM FO CI CM CO
_publ_requested_category         ?
_publ_requested_coeditor_name    ?

#===================================================================
# 2. PROCESSING SUMMARY (JOURNAL OFFICE ONLY)
#===================================================================

#===================================================================
# 3. TITLE AND AUTHOR LIST
#===================================================================

_publ_section_title              
;
Chiral N-heterocyclic biscarbenes based on 1,2,4-triazole as ligands
for metal-catalyzed asymmetric synthesis
;

data_4Me
_database_code_depnum_ccdc_archive 'CCDC 781746'
#TrackingRef '- 4Me.cif.cif'

#===================================================================

# 0. AUDIT DETAILS

_audit_creation_date             26-Mai-10
_audit_creation_method           'PLATON <TABLE ACC> option'
_audit_update_record             
;
15-Sep-10 Updated by the Author B.B.
Text writing by B.B.
Checkcif OK
;

#===================================================================
# 4. TEXT
#===================================================================

_publ_section_abstract           
;
A facile and straightforward synthetic procedure for the preparation
of new chiral bis-1,2,4-triazolium salts and their corresponding rhodium(I)
biscarbene complexes are reported. It is widely applicable for the
synthesis of azolium salts. The new chiral biscarbenes represent promising
ligands for transition metal-catalyzed asymmetric syntheses. Their first
successful application is demonstrated by the rhodium-catalyzed hydrogenation
of dimethylitaconate and methyl-2-acetamidoacrylate which yielded
enantioselectivities of up to 61 %ee.
;

# Insert blank lines between references

_publ_section_references         
;
Altomare, A., Cascarano, G., Giacovazzo, C., Guagliardi, A., Burla, M. C.,
Polidori, G. & Camalli, M. (1994). SIR92, J. Appl. Cryst. 27, 435-436.

Farrugia, L. J. (1999). WinGX (Version 1.70.01 January 2005),
J. Appl. Cryst. 32, 837-838.

Sheldrick, G. M. (1998). SHELXL-97, University of G\"ottingen, G\"ottingen,
Germany.

Spek, A. L. (2008). PLATON, A Multipurpose Crystallographic Tool, Utrecht
University, Utrecht, The Netherlands.

Stoe (2004). X-AREA, Version 1.26, Stoe & Cie GmbH, Darmstadt, Germany.
;

#===================================================================
#5. CHEMICAL DATA
#===================================================================

_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C20 H30 N6 Rh1, F6 P1'
_chemical_formula_sum            'C20 H30 F6 N6 P1 Rh1'
_chemical_formula_weight         602.38

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'
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'

#===============================================================================
# 6. CRYSTAL DATA
#===================================================================

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_Hall  P1
_symmetry_space_group_name_H-M   P1
_symmetry_Int_Tables_number      1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'

_cell_length_a                   9.8816(11)
_cell_length_b                   10.9635(12)
_cell_length_c                   11.8619(10)
_cell_angle_alpha                111.530(3)
_cell_angle_beta                 90.034(3)
_cell_angle_gamma                99.352(4)
_cell_volume                     1177.0(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    9447
_cell_measurement_theta_min      1.85
_cell_measurement_theta_max      25.41

_exptl_crystal_description       fragment
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.46
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.03
_exptl_crystal_density_meas      none
_exptl_crystal_density_diffrn    1.700
_exptl_crystal_density_method    none
_exptl_crystal_F_000             612
_exptl_absorpt_coefficient_mu    0.862
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6924
_exptl_absorpt_correction_T_max  0.9746

_exptl_absorpt_process_details   'SADABS, Bruker, 2008b'

_exptl_special_details           
;
Diffractometer operator B. Bechlars
scanspeed 10 s per frame
dx 40
540 frames measured in 3 data sets
phi-scan with delta_phi = 1.00
omega-scans with delta_omega = 1.00
;

_publ_section_exptl_prep         
;
The crystal was fixed on the top of a glas fiber with
perfluorinated ether and transferred to the diffractometer.
;

_publ_section_exptl_refinement   
;
Solution and refinements with the program WinGX;
Farrugia (1999).
Hydrogen atoms could not be located in the difference Fourier maps
and were calculated in ideal positions (riding model).
;

#===================================================================
# 7. EXPERIMENTAL DATA
#===================================================================

_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'rotating anode FR591'
_diffrn_radiation_monochromator  graphite

_diffrn_measurement_device       ' \k-geometry diffractometer '
_diffrn_measurement_device_type  ' Bruker APEX-II CCD '
_diffrn_measurement_method       ' phi- and omega-rotation '
_diffrn_detector                 ' CCD plate '
_diffrn_detector_area_resol_mean 16 # 8 for binned mode

_diffrn_standards_decay_%        0
_diffrn_reflns_number            14322
_diffrn_reflns_av_R_equivalents  0.0486
_diffrn_reflns_av_sigmaI/netI    0.0649
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_theta_min         1.85
_diffrn_reflns_theta_max         25.41
_reflns_number_total             7295
_reflns_number_gt                6818
_reflns_threshold_expression     >2\s(I)

# number of observed reflections (> n sig(I))

_computing_data_collection       'APEX II Control Software (Bruker, 2008a)'
_computing_cell_refinement       'SAINT (Bruker, 2008b)'
_computing_data_reduction        'SAINT (Bruker, 2008b)'
_computing_structure_solution    'SIR92 (Altomare, 1994)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1998)'
_computing_molecular_graphics    'PLATON (Spek, 2008)'
_computing_publication_material  'PLATON (Spek, 2008)'

#===================================================================
# 8. REFINEMENT DATA
#===================================================================

_refine_special_details          
;
Refinement of F^2^ against ALL reflections. The weighted R-factor wR and
goodness 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 threshold expression of
F^2^ > 2\s(F^2^) is used only for calculating R-factors(gt) 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
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0441P)^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    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.03(2)
_chemical_absolute_configuration ad
_refine_ls_number_reflns         7295
_refine_ls_number_parameters     654
_refine_ls_number_restraints     3
_refine_ls_R_factor_all          0.0348
_refine_ls_R_factor_gt           0.0313
_refine_ls_wR_factor_ref         0.0786
_refine_ls_wR_factor_gt          0.0762
_refine_ls_goodness_of_fit_ref   1.007
_refine_ls_restrained_S_all      1.007
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

_diffrn_measured_fraction_theta_max 0.938
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.950

_refine_diff_density_max         0.537
_refine_diff_density_min         -0.367
_refine_diff_density_rms         0.079

#===================================================================
# 9. ATOMIC COORDINATES AND THERMAL PARAMETERS
#===================================================================

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 -0.28263(3) 0.64292(3) 0.94140(2) 0.01804(11) Uani 1 1 d . . .
N1 N -0.4902(4) 0.8105(5) 0.9100(4) 0.0209(10) Uani 1 1 d . . .
N2 N -0.5745(5) 0.6052(6) 0.8295(5) 0.0236(12) Uani 1 1 d . . .
N3 N -0.6751(4) 0.6702(5) 0.8098(4) 0.0280(12) Uani 1 1 d . . .
N4 N -0.3326(5) 0.8798(6) 1.1409(5) 0.0205(11) Uani 1 1 d . . .
N5 N -0.3811(5) 0.7243(6) 1.2086(5) 0.0242(13) Uani 1 1 d . . .
N6 N -0.4098(6) 0.8378(7) 1.2997(5) 0.0317(14) Uani 1 1 d . . .
C1 C -0.2538(7) 0.5017(7) 0.7578(6) 0.0312(16) Uani 1 1 d . . .
H1 H -0.3500 0.4825 0.7379 0.037 Uiso 1 1 calc R . .
C2 C -0.1877(6) 0.6247(6) 0.7695(5) 0.0267(14) Uani 1 1 d . . .
H2 H -0.2427 0.6853 0.7625 0.032 Uiso 1 1 calc R . .
C3 C -0.0337(6) 0.6744(6) 0.7930(6) 0.0344(15) Uani 1 1 d . . .
H3A H 0.0142 0.5979 0.7552 0.041 Uiso 1 1 calc R . .
H3B H -0.0069 0.7381 0.7523 0.041 Uiso 1 1 calc R . .
C4 C 0.0153(6) 0.7414(7) 0.9255(6) 0.0309(15) Uani 1 1 d . . .
H4A H 0.0116 0.8375 0.9516 0.037 Uiso 1 1 calc R . .
H4B H 0.1127 0.7330 0.9340 0.037 Uiso 1 1 calc R . .
C5 C -0.0653(6) 0.6873(8) 1.0108(7) 0.0261(16) Uani 1 1 d . . .
H5 H -0.0846 0.7497 1.0865 0.031 Uiso 1 1 calc R . .
C6 C -0.1125(7) 0.5545(8) 0.9869(6) 0.0289(17) Uani 1 1 d . . .
H6 H -0.1701 0.5320 1.0429 0.035 Uiso 1 1 calc R . .
C7 C -0.0787(7) 0.4428(7) 0.8775(6) 0.0388(17) Uani 1 1 d . . .
H7A H -0.0667 0.3674 0.9014 0.047 Uiso 1 1 calc R . .
H7B H 0.0095 0.4734 0.8486 0.047 Uiso 1 1 calc R . .
C8 C -0.1909(6) 0.3939(6) 0.7729(6) 0.0426(15) Uani 1 1 d . . .
H8B H -0.1503 0.3463 0.6962 0.051 Uiso 1 1 calc R . .
H8A H -0.2642 0.3293 0.7875 0.051 Uiso 1 1 calc R . .
C9 C -0.4594(7) 0.6870(7) 0.8899(6) 0.0182(15) Uani 1 1 d . . .
C10 C -0.6193(5) 0.7924(6) 0.8587(5) 0.0248(13) Uani 1 1 d . . .
H10 H -0.6630 0.8636 0.8594 0.030 Uiso 1 1 calc R . .
C11 C -0.3350(6) 0.7480(8) 1.1119(6) 0.0231(16) Uani 1 1 d . . .
C12 C -0.3783(6) 0.9308(7) 1.2551(5) 0.0274(15) Uani 1 1 d . . .
H12 H -0.3861 1.0215 1.2963 0.033 Uiso 1 1 calc R . .
C13 C -0.6087(6) 0.4606(6) 0.7966(6) 0.0338(15) Uani 1 1 d . . .
H13A H -0.5308 0.4287 0.8210 0.051 Uiso 1 1 calc R . .
H13B H -0.6286 0.4170 0.7086 0.051 Uiso 1 1 calc R . .
H13C H -0.6895 0.4396 0.8384 0.051 Uiso 1 1 calc R . .
C14 C -0.3989(7) 0.6018(8) 1.2301(7) 0.0354(16) Uani 1 1 d . . .
H14A H -0.3176 0.6002 1.2766 0.053 Uiso 1 1 calc R . .
H14C H -0.4110 0.5262 1.1523 0.053 Uiso 1 1 calc R . .
H14B H -0.4803 0.5957 1.2762 0.053 Uiso 1 1 calc R . .
C15 C -0.4076(5) 0.9440(5) 0.9736(4) 0.0221(10) Uani 1 1 d . . .
H15 H -0.4698 1.0020 1.0253 0.027 Uiso 1 1 calc R . .
C16 C -0.2892(5) 0.9459(5) 1.0557(5) 0.0245(13) Uani 1 1 d . . .
H16 H -0.2238 0.8939 1.0021 0.029 Uiso 1 1 calc R . .
C17 C -0.2118(6) 1.0872(6) 1.1193(6) 0.0344(16) Uani 1 1 d . . .
H17A H -0.1340 1.0866 1.1716 0.041 Uiso 1 1 calc R . .
H17B H -0.2740 1.1428 1.1719 0.041 Uiso 1 1 calc R . .
C18 C -0.1575(7) 1.1473(8) 1.0273(7) 0.0391(18) Uani 1 1 d . . .
H18A H -0.1114 1.2407 1.0705 0.047 Uiso 1 1 calc R . .
H18B H -0.0891 1.0966 0.9794 0.047 Uiso 1 1 calc R . .
C19 C -0.2748(6) 1.1432(6) 0.9433(6) 0.0442(14) Uani 1 1 d . . .
H19A H -0.2377 1.1775 0.8811 0.053 Uiso 1 1 calc R . .
H19B H -0.3375 1.2021 0.9906 0.053 Uiso 1 1 calc R . .
C20 C -0.3546(5) 1.0035(6) 0.8812(5) 0.0318(14) Uani 1 1 d . . .
H20A H -0.2945 0.9466 0.8271 0.038 Uiso 1 1 calc R . .
H20B H -0.4332 1.0056 0.8305 0.038 Uiso 1 1 calc R . .
Rh2 Rh 1.15342(2) -0.08669(2) 0.44840(2) 0.01795(11) Uani 1 1 d . . .
N7 N 1.2221(5) -0.3379(5) 0.2491(4) 0.0179(10) Uani 1 1 d . . .
N8 N 1.2509(5) -0.1747(5) 0.1934(5) 0.0206(11) Uani 1 1 d . . .
N9 N 1.2950(5) -0.2765(6) 0.0989(5) 0.0243(12) Uani 1 1 d . . .
N11 N 1.4494(5) -0.0723(6) 0.5611(5) 0.0240(13) Uani 1 1 d . . .
N10 N 1.3181(4) -0.2602(5) 0.5005(4) 0.0186(10) Uani 1 1 d . . .
N12 N 1.5248(4) -0.1592(5) 0.5831(4) 0.0256(12) Uani 1 1 d . . .
C21 C 0.9792(7) -0.0241(7) 0.3770(7) 0.0258(16) Uani 1 1 d . . .
H21 H 1.0250 -0.0291 0.3054 0.031 Uiso 1 1 calc R . .
C22 C 0.9361(6) -0.1425(7) 0.3953(6) 0.0228(15) Uani 1 1 d . . .
H22 H 0.9554 -0.2216 0.3348 0.027 Uiso 1 1 calc R . .
C23 C 0.8614(7) -0.1575(8) 0.5023(7) 0.0414(19) Uani 1 1 d . . .
H23A H 0.7632 -0.1535 0.4905 0.050 Uiso 1 1 calc R . .
H23B H 0.8665 -0.2464 0.5037 0.050 Uiso 1 1 calc R . .
C24 C 0.9184(6) -0.0524(7) 0.6237(6) 0.0405(16) Uani 1 1 d . . .
H24A H 0.8741 0.0265 0.6392 0.049 Uiso 1 1 calc R . .
H24B H 0.8938 -0.0876 0.6883 0.049 Uiso 1 1 calc R . .
C25 C 1.0725(7) -0.0090(7) 0.6322(6) 0.0351(17) Uani 1 1 d . . .
H25 H 1.1272 -0.0583 0.6587 0.042 Uiso 1 1 calc R . .
C26 C 1.1397(6) 0.0946(7) 0.6052(5) 0.0314(15) Uani 1 1 d . . .
H26 H 1.2370 0.1114 0.6172 0.038 Uiso 1 1 calc R . .
C27 C 1.0787(6) 0.1857(6) 0.5588(5) 0.0362(14) Uani 1 1 d . . .
H27A H 1.1512 0.2300 0.5222 0.043 Uiso 1 1 calc R . .
H27B H 1.0470 0.2557 0.6282 0.043 Uiso 1 1 calc R . .
C28 C 0.9579(6) 0.1138(6) 0.4642(6) 0.0320(15) Uani 1 1 d . . .
H28A H 0.9450 0.1692 0.4166 0.038 Uiso 1 1 calc R . .
H28B H 0.8730 0.1037 0.5066 0.038 Uiso 1 1 calc R . .
C29 C 1.2072(6) -0.2063(7) 0.2859(6) 0.0187(15) Uani 1 1 d . . .
C30 C 1.2723(6) -0.3754(7) 0.1362(6) 0.0261(15) Uani 1 1 d . . .
H30 H 1.2886 -0.4626 0.0908 0.031 Uiso 1 1 calc R . .
C31 C 1.3224(7) -0.1305(7) 0.5124(6) 0.0204(15) Uani 1 1 d . . .
C32 C 1.4403(5) -0.2730(5) 0.5437(5) 0.0212(11) Uani 1 1 d . . .
H32 H 1.4614 -0.3540 0.5450 0.025 Uiso 1 1 calc R . .
C33 C 1.2672(6) -0.0423(6) 0.1857(6) 0.0245(13) Uani 1 1 d . . .
H33A H 1.2397 0.0213 0.2609 0.037 Uiso 1 1 calc R . .
H33B H 1.2091 -0.0469 0.1167 0.037 Uiso 1 1 calc R . .
H33C H 1.3635 -0.0131 0.1743 0.037 Uiso 1 1 calc R . .
C34 C 1.5148(6) 0.0639(6) 0.5876(6) 0.0343(15) Uani 1 1 d . . .
H34A H 1.4611 0.1049 0.5465 0.051 Uiso 1 1 calc R . .
H34B H 1.6078 0.0654 0.5589 0.051 Uiso 1 1 calc R . .
H34C H 1.5198 0.1137 0.6755 0.051 Uiso 1 1 calc R . .
C35 C 1.1855(5) -0.4312(5) 0.3126(5) 0.0193(11) Uani 1 1 d . . .
H35 H 1.2538 -0.4928 0.2932 0.023 Uiso 1 1 calc R . .
C36 C 1.1924(4) -0.3607(4) 0.4508(4) 0.0175(9) Uani 1 1 d . . .
H36 H 1.1139 -0.3107 0.4689 0.021 Uiso 1 1 calc R . .
C37 C 1.1668(5) -0.4605(5) 0.5125(4) 0.0213(11) Uani 1 1 d . . .
H37A H 1.1750 -0.4136 0.6018 0.026 Uiso 1 1 calc R . .
H37B H 1.2353 -0.5206 0.4899 0.026 Uiso 1 1 calc R . .
C38 C 1.0212(5) -0.5410(5) 0.4709(4) 0.0255(11) Uani 1 1 d . . .
H38A H 1.0022 -0.6078 0.5093 0.031 Uiso 1 1 calc R . .
H38B H 0.9532 -0.4806 0.4971 0.031 Uiso 1 1 calc R . .
C39 C 1.0064(7) -0.6117(7) 0.3322(6) 0.0293(15) Uani 1 1 d . . .
H39A H 1.0662 -0.6800 0.3074 0.035 Uiso 1 1 calc R . .
H39B H 0.9102 -0.6576 0.3069 0.035 Uiso 1 1 calc R . .
C40 C 1.0447(6) -0.5151(6) 0.2676(5) 0.0258(13) Uani 1 1 d . . .
H40A H 1.0436 -0.5658 0.1792 0.031 Uiso 1 1 calc R . .
H40B H 0.9755 -0.4560 0.2814 0.031 Uiso 1 1 calc R . .
P1 P 0.27410(18) 0.19769(19) -0.02414(17) 0.0310(4) Uani 1 1 d . . .
F1 F 0.1956(5) 0.2343(6) 0.0955(4) 0.0804(18) Uani 1 1 d . . .
F2 F 0.3520(5) 0.1594(7) -0.1445(5) 0.0698(16) Uani 1 1 d . . .
F3 F 0.1765(5) 0.0576(5) -0.0746(5) 0.0681(14) Uani 1 1 d . . .
F4 F 0.3714(6) 0.3381(5) 0.0269(5) 0.0795(17) Uani 1 1 d . . .
F5 F 0.3794(4) 0.1395(4) 0.0337(4) 0.0500(11) Uani 1 1 d . . .
F6 F 0.1684(5) 0.2534(6) -0.0843(5) 0.0667(14) Uani 1 1 d . . .
P2 P 0.55449(19) 0.34672(19) 0.40770(17) 0.0349(4) Uani 1 1 d . . .
F7 F 0.4421(4) 0.4048(4) 0.3564(4) 0.0468(11) Uani 1 1 d . A .
F8 F 0.6656(6) 0.2873(6) 0.4593(5) 0.0796(17) Uani 1 1 d . A .
F9 F 0.4946(17) 0.2010(16) 0.3236(19) 0.071(6) Uani 0.60(2) 1 d P A 1
F10 F 0.6342(11) 0.4982(8) 0.4857(12) 0.060(4) Uani 0.60(2) 1 d P A 1
F11 F 0.6476(15) 0.3594(14) 0.2944(12) 0.063(3) Uani 0.60(2) 1 d P A 1
F12 F 0.4784(15) 0.3422(16) 0.5172(11) 0.070(5) Uani 0.60(2) 1 d P A 1
F15 F 0.4134(18) 0.269(2) 0.457(2) 0.075(6) Uani 0.40(2) 1 d P A 2
F13 F 0.6691(15) 0.413(3) 0.362(3) 0.084(10) Uani 0.40(2) 1 d P A 2
F16 F 0.549(3) 0.4664(16) 0.5322(11) 0.072(10) Uani 0.40(2) 1 d P A 2
F14 F 0.536(3) 0.223(3) 0.295(3) 0.088(9) Uani 0.40(2) 1 d P A 2

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 0.0158(2) 0.0224(3) 0.0155(2) 0.00552(19) 0.00160(15) 0.00574(17)
N1 0.014(2) 0.034(3) 0.019(2) 0.012(2) 0.0033(17) 0.0070(19)
N2 0.013(2) 0.033(3) 0.021(3) 0.006(2) -0.0023(19) 0.003(2)
N3 0.016(2) 0.046(3) 0.023(3) 0.014(2) -0.0024(17) 0.004(2)
N4 0.020(2) 0.031(3) 0.015(3) 0.013(2) 0.0000(17) 0.0072(19)
N5 0.023(3) 0.040(4) 0.016(3) 0.015(3) 0.0065(19) 0.012(2)
N6 0.034(3) 0.044(4) 0.025(3) 0.017(3) 0.008(2) 0.018(3)
C1 0.031(3) 0.041(4) 0.018(3) 0.005(3) 0.008(2) 0.013(3)
C2 0.029(3) 0.038(4) 0.018(3) 0.010(3) 0.011(2) 0.020(3)
C3 0.025(3) 0.045(4) 0.037(4) 0.018(3) 0.007(2) 0.009(3)
C4 0.017(3) 0.041(4) 0.032(3) 0.008(3) 0.004(2) 0.009(2)
C5 0.015(3) 0.036(4) 0.027(4) 0.008(3) 0.003(2) 0.012(3)
C6 0.025(3) 0.042(5) 0.027(4) 0.020(3) 0.004(2) 0.012(3)
C7 0.041(3) 0.030(3) 0.060(5) 0.026(3) 0.016(3) 0.023(3)
C8 0.044(3) 0.029(3) 0.053(4) 0.009(3) 0.010(3) 0.016(3)
C9 0.014(3) 0.019(4) 0.017(3) 0.002(3) 0.006(2) 0.002(3)
C10 0.016(3) 0.039(4) 0.026(3) 0.019(3) 0.000(2) 0.005(3)
C11 0.018(3) 0.032(4) 0.019(4) 0.007(3) -0.004(2) 0.008(3)
C12 0.038(3) 0.032(4) 0.009(3) -0.002(3) 0.004(2) 0.021(3)
C13 0.026(3) 0.028(3) 0.038(3) 0.008(3) -0.002(2) -0.009(2)
C14 0.038(3) 0.043(4) 0.031(4) 0.021(3) 0.003(3) 0.006(3)
C15 0.021(2) 0.024(3) 0.023(3) 0.010(2) 0.0027(19) 0.007(2)
C16 0.022(3) 0.021(3) 0.025(3) 0.003(2) 0.003(2) 0.006(2)
C17 0.045(4) 0.027(3) 0.028(3) 0.007(3) -0.007(3) 0.005(3)
C18 0.034(3) 0.035(4) 0.046(5) 0.020(4) -0.008(3) -0.012(3)
C19 0.053(3) 0.044(4) 0.042(3) 0.030(3) -0.002(3) -0.006(3)
C20 0.033(3) 0.041(3) 0.024(3) 0.019(3) 0.001(2) -0.002(3)
Rh2 0.0170(2) 0.0198(3) 0.0167(2) 0.00495(19) 0.00192(16) 0.00653(17)
N7 0.019(2) 0.018(2) 0.016(3) 0.004(2) 0.0025(17) 0.0075(18)
N8 0.017(2) 0.021(3) 0.023(3) 0.009(2) 0.0036(19) 0.002(2)
N9 0.027(3) 0.032(3) 0.016(3) 0.007(2) 0.010(2) 0.013(2)
N11 0.023(3) 0.026(3) 0.016(3) 0.001(2) 0.004(2) 0.002(2)
N10 0.016(2) 0.024(2) 0.015(2) 0.0042(18) 0.0009(16) 0.0061(18)
N12 0.019(2) 0.033(3) 0.023(3) 0.006(2) 0.0019(18) 0.008(2)
C21 0.019(3) 0.027(3) 0.029(3) 0.004(3) 0.005(2) 0.014(2)
C22 0.020(3) 0.021(3) 0.028(4) 0.007(3) -0.002(2) 0.010(2)
C23 0.023(3) 0.048(5) 0.062(5) 0.030(4) 0.017(3) 0.009(3)
C24 0.036(3) 0.063(5) 0.030(3) 0.021(3) 0.015(2) 0.022(3)
C25 0.039(4) 0.045(5) 0.021(3) 0.006(3) 0.013(3) 0.024(3)
C26 0.034(3) 0.036(4) 0.018(3) -0.002(3) -0.001(2) 0.019(3)
C27 0.039(3) 0.024(3) 0.040(4) 0.002(3) -0.003(2) 0.015(2)
C28 0.032(3) 0.028(3) 0.040(4) 0.016(3) 0.002(3) 0.010(2)
C29 0.015(3) 0.026(4) 0.021(3) 0.015(3) 0.008(2) 0.004(2)
C30 0.022(3) 0.037(4) 0.023(3) 0.014(3) 0.006(2) 0.009(2)
C31 0.020(3) 0.030(4) 0.013(3) 0.011(3) -0.003(2) 0.002(3)
C32 0.027(3) 0.022(3) 0.016(3) 0.008(2) 0.000(2) 0.005(2)
C33 0.028(3) 0.024(3) 0.026(3) 0.015(3) 0.007(2) 0.004(2)
C34 0.030(3) 0.036(4) 0.038(4) 0.018(3) 0.002(2) 0.001(3)
C35 0.024(2) 0.018(3) 0.018(3) 0.007(2) 0.0034(19) 0.005(2)
C36 0.013(2) 0.017(2) 0.023(3) 0.008(2) 0.0011(18) 0.0038(19)
C37 0.024(3) 0.031(3) 0.015(3) 0.013(2) 0.008(2) 0.009(2)
C38 0.030(3) 0.022(3) 0.024(3) 0.010(2) 0.005(2) 0.000(2)
C39 0.032(3) 0.022(3) 0.025(3) 0.001(3) -0.001(2) -0.002(2)
C40 0.030(3) 0.022(3) 0.023(3) 0.010(2) -0.005(2) -0.003(2)
P1 0.0373(9) 0.0289(9) 0.0286(9) 0.0096(7) 0.0027(6) 0.0138(7)
F1 0.065(3) 0.128(5) 0.043(3) 0.013(3) 0.020(2) 0.049(3)
F2 0.062(3) 0.111(5) 0.044(3) 0.033(3) 0.021(2) 0.024(3)
F3 0.068(3) 0.049(3) 0.079(3) 0.024(2) -0.002(2) -0.013(2)
F4 0.080(4) 0.038(3) 0.109(4) 0.022(3) -0.036(3) -0.008(2)
F5 0.054(3) 0.053(3) 0.058(3) 0.031(2) 0.0054(19) 0.028(2)
F6 0.053(2) 0.084(4) 0.082(3) 0.045(3) -0.010(2) 0.029(2)
P2 0.0476(10) 0.0275(9) 0.0327(10) 0.0103(7) 0.0008(7) 0.0172(8)
F7 0.040(2) 0.056(3) 0.049(2) 0.020(2) -0.0057(17) 0.0209(19)
F8 0.094(4) 0.059(3) 0.095(4) 0.030(3) -0.034(3) 0.034(3)
F9 0.061(7) 0.026(5) 0.111(15) 0.013(7) -0.038(8) -0.008(5)
F10 0.062(7) 0.042(4) 0.065(8) 0.006(4) -0.024(6) 0.008(4)
F11 0.070(7) 0.077(8) 0.069(7) 0.046(6) 0.028(6) 0.043(6)
F12 0.079(8) 0.099(12) 0.054(7) 0.046(7) 0.033(6) 0.038(8)
F15 0.060(9) 0.083(12) 0.116(15) 0.070(12) 0.030(10) 0.030(8)
F13 0.027(5) 0.12(2) 0.16(3) 0.13(2) 0.006(11) 0.001(9)
F16 0.15(2) 0.044(10) 0.020(6) -0.014(6) -0.035(8) 0.059(12)
F14 0.13(2) 0.055(16) 0.062(10) -0.021(11) -0.003(12) 0.060(15)

#==================================================================
# 10. MOLECULAR GEOMETRY
#===================================================================

_geom_special_details            
;
All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell s.u.'s are taken
into account individually in the estimation of s.u.'s in distances, angles
and torsion angles; correlations between s.u.'s in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell s.u.'s is used for estimating s.u.'s 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 C9 2.036(7) . ?
Rh1 C11 2.042(7) . ?
Rh1 C2 2.200(5) . ?
Rh1 C1 2.212(6) . ?
Rh1 C5 2.212(6) . ?
Rh1 C6 2.229(7) . ?
N1 C10 1.366(7) . ?
N1 C9 1.371(8) . ?
N1 C15 1.476(7) . ?
N2 C9 1.344(9) . ?
N2 N3 1.380(7) . ?
N2 C13 1.466(9) . ?
N3 C10 1.275(8) . ?
N4 C11 1.353(9) . ?
N4 C12 1.371(8) . ?
N4 C16 1.472(8) . ?
N5 C11 1.331(8) . ?
N5 N6 1.388(8) . ?
N5 C14 1.440(9) . ?
N6 C12 1.307(9) . ?
C1 C2 1.357(9) . ?
C1 C8 1.486(9) . ?
C1 H1 0.9500 . ?
C2 C3 1.519(8) . ?
C2 H2 0.9500 . ?
C3 C4 1.511(8) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 C5 1.516(10) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C5 C6 1.376(11) . ?
C5 H5 0.9500 . ?
C6 C7 1.504(10) . ?
C6 H6 0.9500 . ?
C7 C8 1.540(10) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 H8B 0.9900 . ?
C8 H8A 0.9900 . ?
C10 H10 0.9500 . ?
C12 H12 0.9500 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14C 0.9800 . ?
C14 H14B 0.9800 . ?
C15 C16 1.515(7) . ?
C15 C20 1.521(7) . ?
C15 H15 1.0000 . ?
C16 C17 1.520(9) . ?
C16 H16 1.0000 . ?
C17 C18 1.526(9) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C18 C19 1.512(9) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C19 C20 1.514(8) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
Rh2 C29 2.022(7) . ?
Rh2 C31 2.030(7) . ?
Rh2 C22 2.162(6) . ?
Rh2 C26 2.192(6) . ?
Rh2 C21 2.228(7) . ?
Rh2 C25 2.231(6) . ?
N7 C30 1.368(8) . ?
N7 C29 1.378(8) . ?
N7 C35 1.480(7) . ?
N8 C29 1.320(8) . ?
N8 N9 1.390(7) . ?
N8 C33 1.470(8) . ?
N9 C30 1.303(9) . ?
N11 C31 1.336(9) . ?
N11 N12 1.394(7) . ?
N11 C34 1.444(9) . ?
N10 C32 1.358(7) . ?
N10 C31 1.370(8) . ?
N10 C36 1.477(6) . ?
N12 C32 1.306(7) . ?
C21 C22 1.393(10) . ?
C21 C28 1.535(9) . ?
C21 H21 0.9500 . ?
C22 C23 1.515(9) . ?
C22 H22 0.9500 . ?
C23 C24 1.514(10) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 C25 1.511(9) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C25 C26 1.362(10) . ?
C25 H25 0.9500 . ?
C26 C27 1.504(8) . ?
C26 H26 0.9500 . ?
C27 C28 1.533(8) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C30 H30 0.9500 . ?
C32 H32 0.9500 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 C40 1.513(8) . ?
C35 C36 1.530(7) . ?
C35 H35 1.0000 . ?
C36 C37 1.515(6) . ?
C36 H36 1.0000 . ?
C37 C38 1.536(6) . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?
C38 C39 1.535(8) . ?
C38 H38A 0.9900 . ?
C38 H38B 0.9900 . ?
C39 C40 1.522(9) . ?
C39 H39A 0.9900 . ?
C39 H39B 0.9900 . ?
C40 H40A 0.9900 . ?
C40 H40B 0.9900 . ?
P1 F1 1.569(5) . ?
P1 F2 1.573(5) . ?
P1 F3 1.578(5) . ?
P1 F5 1.579(4) . ?
P1 F4 1.580(5) . ?
P1 F6 1.581(5) . ?
P2 F13 1.455(14) . ?
P2 F14 1.50(2) . ?
P2 F12 1.514(9) . ?
P2 F9 1.556(16) . ?
P2 F16 1.584(10) . ?
P2 F7 1.588(4) . ?
P2 F8 1.591(5) . ?
P2 F10 1.637(8) . ?
P2 F11 1.664(12) . ?
P2 F15 1.730(14) . ?

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
C9 Rh1 C11 83.2(3) . . ?
C9 Rh1 C2 93.9(2) . . ?
C11 Rh1 C2 153.6(2) . . ?
C9 Rh1 C1 94.3(3) . . ?
C11 Rh1 C1 170.2(3) . . ?
C2 Rh1 C1 35.8(2) . . ?
C9 Rh1 C5 155.1(3) . . ?
C11 Rh1 C5 89.5(3) . . ?
C2 Rh1 C5 82.2(2) . . ?
C1 Rh1 C5 96.5(3) . . ?
C9 Rh1 C6 168.8(3) . . ?
C11 Rh1 C6 100.1(3) . . ?
C2 Rh1 C6 87.8(2) . . ?
C1 Rh1 C6 80.6(3) . . ?
C5 Rh1 C6 36.1(3) . . ?
C10 N1 C9 107.6(5) . . ?
C10 N1 C15 122.3(5) . . ?
C9 N1 C15 130.1(5) . . ?
C9 N2 N3 114.0(6) . . ?
C9 N2 C13 127.4(5) . . ?
N3 N2 C13 118.1(5) . . ?
C10 N3 N2 102.7(5) . . ?
C11 N4 C12 108.2(5) . . ?
C11 N4 C16 121.8(5) . . ?
C12 N4 C16 130.0(6) . . ?
C11 N5 N6 112.5(6) . . ?
C11 N5 C14 129.0(6) . . ?
N6 N5 C14 118.5(5) . . ?
C12 N6 N5 103.7(5) . . ?
C2 C1 C8 126.6(6) . . ?
C2 C1 Rh1 71.6(4) . . ?
C8 C1 Rh1 107.4(4) . . ?
C2 C1 H1 116.7 . . ?
C8 C1 H1 116.7 . . ?
Rh1 C1 H1 91.0 . . ?
C1 C2 C3 126.0(6) . . ?
C1 C2 Rh1 72.6(3) . . ?
C3 C2 Rh1 110.1(4) . . ?
C1 C2 H2 117.0 . . ?
C3 C2 H2 117.0 . . ?
Rh1 C2 H2 87.2 . . ?
C4 C3 C2 114.7(5) . . ?
C4 C3 H3A 108.6 . . ?
C2 C3 H3A 108.6 . . ?
C4 C3 H3B 108.6 . . ?
C2 C3 H3B 108.6 . . ?
H3A C3 H3B 107.6 . . ?
C3 C4 C5 115.4(6) . . ?
C3 C4 H4A 108.4 . . ?
C5 C4 H4A 108.4 . . ?
C3 C4 H4B 108.4 . . ?
C5 C4 H4B 108.4 . . ?
H4A C4 H4B 107.5 . . ?
C6 C5 C4 124.9(7) . . ?
C6 C5 Rh1 72.6(4) . . ?
C4 C5 Rh1 105.5(4) . . ?
C6 C5 H5 117.6 . . ?
C4 C5 H5 117.6 . . ?
Rh1 C5 H5 91.9 . . ?
C5 C6 C7 124.1(7) . . ?
C5 C6 Rh1 71.3(4) . . ?
C7 C6 Rh1 111.3(5) . . ?
C5 C6 H6 117.9 . . ?
C7 C6 H6 117.9 . . ?
Rh1 C6 H6 87.4 . . ?
C6 C7 C8 112.6(5) . . ?
C6 C7 H7A 109.1 . . ?
C8 C7 H7A 109.1 . . ?
C6 C7 H7B 109.1 . . ?
C8 C7 H7B 109.1 . . ?
H7A C7 H7B 107.8 . . ?
C1 C8 C7 114.2(5) . . ?
C1 C8 H8B 108.7 . . ?
C7 C8 H8B 108.7 . . ?
C1 C8 H8A 108.7 . . ?
C7 C8 H8A 108.7 . . ?
H8B C8 H8A 107.6 . . ?
N2 C9 N1 102.5(5) . . ?
N2 C9 Rh1 129.7(5) . . ?
N1 C9 Rh1 127.8(5) . . ?
N3 C10 N1 113.2(5) . . ?
N3 C10 H10 123.4 . . ?
N1 C10 H10 123.4 . . ?
N5 C11 N4 104.8(6) . . ?
N5 C11 Rh1 138.3(6) . . ?
N4 C11 Rh1 116.8(5) . . ?
N6 C12 N4 110.9(6) . . ?
N6 C12 H12 124.5 . . ?
N4 C12 H12 124.5 . . ?
N2 C13 H13A 109.5 . . ?
N2 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
N2 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
N5 C14 H14A 109.5 . . ?
N5 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
N5 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14C C14 H14B 109.5 . . ?
N1 C15 C16 114.0(4) . . ?
N1 C15 C20 109.6(4) . . ?
C16 C15 C20 110.1(4) . . ?
N1 C15 H15 107.6 . . ?
C16 C15 H15 107.6 . . ?
C20 C15 H15 107.6 . . ?
N4 C16 C15 112.6(4) . . ?
N4 C16 C17 112.7(5) . . ?
C15 C16 C17 110.4(5) . . ?
N4 C16 H16 106.9 . . ?
C15 C16 H16 106.9 . . ?
C17 C16 H16 106.9 . . ?
C16 C17 C18 110.9(5) . . ?
C16 C17 H17A 109.5 . . ?
C18 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
C18 C17 H17B 109.5 . . ?
H17A C17 H17B 108.0 . . ?
C19 C18 C17 109.9(5) . . ?
C19 C18 H18A 109.7 . . ?
C17 C18 H18A 109.7 . . ?
C19 C18 H18B 109.7 . . ?
C17 C18 H18B 109.7 . . ?
H18A C18 H18B 108.2 . . ?
C18 C19 C20 111.8(5) . . ?
C18 C19 H19A 109.3 . . ?
C20 C19 H19A 109.3 . . ?
C18 C19 H19B 109.3 . . ?
C20 C19 H19B 109.3 . . ?
H19A C19 H19B 107.9 . . ?
C19 C20 C15 111.1(5) . . ?
C19 C20 H20A 109.4 . . ?
C15 C20 H20A 109.4 . . ?
C19 C20 H20B 109.4 . . ?
C15 C20 H20B 109.4 . . ?
H20A C20 H20B 108.0 . . ?
C29 Rh2 C31 83.3(3) . . ?
C29 Rh2 C22 93.5(2) . . ?
C31 Rh2 C22 147.7(3) . . ?
C29 Rh2 C26 160.0(2) . . ?
C31 Rh2 C26 97.1(3) . . ?
C22 Rh2 C26 96.5(2) . . ?
C29 Rh2 C21 96.8(3) . . ?
C31 Rh2 C21 175.3(3) . . ?
C22 Rh2 C21 37.0(3) . . ?
C26 Rh2 C21 81.2(2) . . ?
C29 Rh2 C25 164.0(2) . . ?
C31 Rh2 C25 93.0(3) . . ?
C22 Rh2 C25 81.3(3) . . ?
C26 Rh2 C25 35.9(2) . . ?
C21 Rh2 C25 88.2(3) . . ?
C30 N7 C29 108.6(5) . . ?
C30 N7 C35 122.9(5) . . ?
C29 N7 C35 128.5(5) . . ?
C29 N8 N9 115.1(5) . . ?
C29 N8 C33 126.7(6) . . ?
N9 N8 C33 118.0(5) . . ?
C30 N9 N8 102.4(5) . . ?
C31 N11 N12 113.2(5) . . ?
C31 N11 C34 127.9(6) . . ?
N12 N11 C34 118.9(5) . . ?
C32 N10 C31 109.3(5) . . ?
C32 N10 C36 129.7(4) . . ?
C31 N10 C36 121.0(4) . . ?
C32 N12 N11 103.4(4) . . ?
C22 C21 C28 124.6(6) . . ?
C22 C21 Rh2 68.9(4) . . ?
C28 C21 Rh2 110.2(4) . . ?
C22 C21 H21 117.7 . . ?
C28 C21 H21 117.7 . . ?
Rh2 C21 H21 90.9 . . ?
C21 C22 C23 126.5(7) . . ?
C21 C22 Rh2 74.1(4) . . ?
C23 C22 Rh2 107.9(4) . . ?
C21 C22 H22 116.8 . . ?
C23 C22 H22 116.8 . . ?
Rh2 C22 H22 87.9 . . ?
C24 C23 C22 113.8(6) . . ?
C24 C23 H23A 108.8 . . ?
C22 C23 H23A 108.8 . . ?
C24 C23 H23B 108.8 . . ?
C22 C23 H23B 108.8 . . ?
H23A C23 H23B 107.7 . . ?
C25 C24 C23 113.9(5) . . ?
C25 C24 H24A 108.8 . . ?
C23 C24 H24A 108.8 . . ?
C25 C24 H24B 108.8 . . ?
C23 C24 H24B 108.8 . . ?
H24A C24 H24B 107.7 . . ?
C26 C25 C24 125.7(6) . . ?
C26 C25 Rh2 70.5(4) . . ?
C24 C25 Rh2 110.1(4) . . ?
C26 C25 H25 117.2 . . ?
C24 C25 H25 117.2 . . ?
Rh2 C25 H25 89.4 . . ?
C25 C26 C27 128.0(6) . . ?
C25 C26 Rh2 73.7(4) . . ?
C27 C26 Rh2 107.3(4) . . ?
C25 C26 H26 116.0 . . ?
C27 C26 H26 116.0 . . ?
Rh2 C26 H26 89.0 . . ?
C26 C27 C28 113.5(5) . . ?
C26 C27 H27A 108.9 . . ?
C28 C27 H27A 108.9 . . ?
C26 C27 H27B 108.9 . . ?
C28 C27 H27B 108.9 . . ?
H27A C27 H27B 107.7 . . ?
C27 C28 C21 112.8(5) . . ?
C27 C28 H28A 109.0 . . ?
C21 C28 H28A 109.0 . . ?
C27 C28 H28B 109.0 . . ?
C21 C28 H28B 109.0 . . ?
H28A C28 H28B 107.8 . . ?
N8 C29 N7 102.4(5) . . ?
N8 C29 Rh2 128.7(5) . . ?
N7 C29 Rh2 128.5(4) . . ?
N9 C30 N7 111.5(6) . . ?
N9 C30 H30 124.3 . . ?
N7 C30 H30 124.3 . . ?
N11 C31 N10 103.0(5) . . ?
N11 C31 Rh2 139.9(5) . . ?
N10 C31 Rh2 117.0(4) . . ?
N12 C32 N10 111.0(5) . . ?
N12 C32 H32 124.5 . . ?
N10 C32 H32 124.5 . . ?
N8 C33 H33A 109.5 . . ?
N8 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
N8 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
N11 C34 H34A 109.5 . . ?
N11 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
N11 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
N7 C35 C40 111.2(4) . . ?
N7 C35 C36 112.8(4) . . ?
C40 C35 C36 109.9(4) . . ?
N7 C35 H35 107.5 . . ?
C40 C35 H35 107.5 . . ?
C36 C35 H35 107.5 . . ?
N10 C36 C37 113.2(4) . . ?
N10 C36 C35 113.6(3) . . ?
C37 C36 C35 111.0(4) . . ?
N10 C36 H36 106.1 . . ?
C37 C36 H36 106.1 . . ?
C35 C36 H36 106.1 . . ?
C36 C37 C38 107.9(4) . . ?
C36 C37 H37A 110.1 . . ?
C38 C37 H37A 110.1 . . ?
C36 C37 H37B 110.1 . . ?
C38 C37 H37B 110.1 . . ?
H37A C37 H37B 108.4 . . ?
C39 C38 C37 110.6(4) . . ?
C39 C38 H38A 109.5 . . ?
C37 C38 H38A 109.5 . . ?
C39 C38 H38B 109.5 . . ?
C37 C38 H38B 109.5 . . ?
H38A C38 H38B 108.1 . . ?
C40 C39 C38 112.1(5) . . ?
C40 C39 H39A 109.2 . . ?
C38 C39 H39A 109.2 . . ?
C40 C39 H39B 109.2 . . ?
C38 C39 H39B 109.2 . . ?
H39A C39 H39B 107.9 . . ?
C35 C40 C39 111.6(5) . . ?
C35 C40 H40A 109.3 . . ?
C39 C40 H40A 109.3 . . ?
C35 C40 H40B 109.3 . . ?
C39 C40 H40B 109.3 . . ?
H40A C40 H40B 108.0 . . ?
F1 P1 F2 179.4(4) . . ?
F1 P1 F3 89.1(3) . . ?
F2 P1 F3 90.4(3) . . ?
F1 P1 F5 90.2(3) . . ?
F2 P1 F5 89.7(3) . . ?
F3 P1 F5 90.6(3) . . ?
F1 P1 F4 90.7(4) . . ?
F2 P1 F4 89.9(3) . . ?
F3 P1 F4 179.7(3) . . ?
F5 P1 F4 89.4(3) . . ?
F1 P1 F6 90.6(3) . . ?
F2 P1 F6 89.5(3) . . ?
F3 P1 F6 88.6(3) . . ?
F5 P1 F6 178.9(3) . . ?
F4 P1 F6 91.4(3) . . ?
F13 P2 F14 93.1(13) . . ?
F13 P2 F12 146.9(11) . . ?
F14 P2 F12 118.1(11) . . ?
F13 P2 F9 115.6(13) . . ?
F14 P2 F9 22.7(14) . . ?
F12 P2 F9 95.5(8) . . ?
F13 P2 F16 97.0(11) . . ?
F14 P2 F16 169.7(12) . . ?
F12 P2 F16 52.5(8) . . ?
F9 P2 F16 147.5(11) . . ?
F13 P2 F7 94.2(7) . . ?
F14 P2 F7 91.5(12) . . ?
F12 P2 F7 95.6(5) . . ?
F9 P2 F7 92.4(7) . . ?
F16 P2 F7 85.6(5) . . ?
F13 P2 F8 86.5(7) . . ?
F14 P2 F8 88.3(12) . . ?
F12 P2 F8 84.0(5) . . ?
F9 P2 F8 87.1(8) . . ?
F16 P2 F8 94.5(5) . . ?
F7 P2 F8 179.3(3) . . ?
F13 P2 F10 57.5(11) . . ?
F14 P2 F10 150.6(11) . . ?
F12 P2 F10 90.9(6) . . ?
F9 P2 F10 172.8(8) . . ?
F16 P2 F10 39.5(8) . . ?
F7 P2 F10 90.1(3) . . ?
F8 P2 F10 90.4(4) . . ?
F13 P2 F11 29.0(11) . . ?
F14 P2 F11 65.4(12) . . ?
F12 P2 F11 175.8(7) . . ?
F9 P2 F11 88.0(8) . . ?
F16 P2 F11 124.2(10) . . ?
F7 P2 F11 86.5(5) . . ?
F8 P2 F11 93.9(6) . . ?
F10 P2 F11 85.4(6) . . ?
F13 P2 F15 177.4(8) . . ?
F14 P2 F15 86.0(11) . . ?
F12 P2 F15 34.7(6) . . ?
F9 P2 F15 63.7(9) . . ?
F16 P2 F15 83.8(9) . . ?
F7 P2 F15 83.5(5) . . ?
F8 P2 F15 95.9(6) . . ?
F10 P2 F15 123.3(7) . . ?
F11 P2 F15 149.4(9) . . ?

# End of Crystallographic Information File