# Supplementary Material (ESI) for Chemical Communications
# This journal is © The Royal Society of Chemistry 2004

data_global

_journal_coden_Cambridge         182

loop_
_publ_author_name
'Philip Coppens'
'Yu-Sheng Chen'
'Oksana Gerlits'
'Timothy J. Graber'
'A. Yu Kovalevsky'
'Irina V. Novozhilova'
'Ivan I. Vorontsov'

_publ_contact_author_name        'Prof Philip Coppens'
_publ_contact_author_address     
;
Department of Chemistry
SUNY at Buffalo
732 NSC
Buffalo
New York
14260
UNITED STATES OF AMERICA
;

_publ_contact_author_email       COPPENS@ACSU.BUFFALO.EDU

_publ_requested_journal          'Chemical Communications'

_publ_section_title              
;
A very large Rh-Rh bond shortening on excitation of
the [Rh2(1,8-diisocyano-p-menthane)4]2+ ion by time-resolved synchrotron
X-ray diffraction
;

_publ_section_references         
;
Bruker (1998a) SAINTPlus Data Reduction and Correction Program v. 6.01, Bruker
AXS, Madison, Wisconsin, USA.

Bruker (1998b) SMART. Bruker Molecular Analysis Research Tool,
v. 5.059. Bruker AXS, Madison, Wisconsin, USA.

Sheldrick G.M. (1998a). SADABS v.2.01, Bruker/Siemens Area Detector
Absorption Correction Program, Bruker AXS, Madison, Wisconsin, USA.

Sheldrick G.M. (1998b). SHELXTL v. 5.10, Structure Determination Software
Suite, Bruker AXS, Madison, Wisconsin, USA.
;

data_dimen1300
_database_code_depnum_ccdc_archive 'CCDC 244679'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
dirhodium(I) tetrakis-1,8-diisocyano-p-menthane hexafluorophosphate
acetonitrile solvate
;
_chemical_name_common            '[Rh2(dimen)4](PF6)2xCH3CN'
_chemical_melting_point          ?
_chemical_formula_moiety         'C48 H72 N8 Rh2 2+, 2(F6 P 1-), C2 H3 N'
_chemical_formula_sum            'C50 H75 F12 N9 P2 Rh2'
_chemical_formula_weight         1297.95

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0007 0.0007 '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 0.0018 0.0015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0072 0.0047 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.0524 0.0453 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.6232 3.2114 '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                   9.4407(6)
_cell_length_b                   13.4608(6)
_cell_length_c                   13.6781(8)
_cell_angle_alpha                61.9167(7)
_cell_angle_beta                 84.9358(8)
_cell_angle_gamma                75.0680(11)
_cell_volume                     1480.66(14)
_cell_formula_units_Z            1
_cell_measurement_temperature    16(2)
_cell_measurement_reflns_used    999
_cell_measurement_theta_min      4
_cell_measurement_theta_max      20

_exptl_crystal_description       prism
_exptl_crystal_colour            yellow-orange
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.03
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.456
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             666
_exptl_absorpt_coefficient_mu    0.369
_exptl_absorpt_correction_type   multi-scans
_exptl_absorpt_correction_T_min  0.9640
_exptl_absorpt_correction_T_max  0.9890
_exptl_absorpt_process_details   'SADABS(Sheldrick, 1998a)'

_exptl_special_details           
;
two crystallographically independent 1,8-diisocyano-p-menthane
ligands are disordered on two positions with ca. 0.3/0.7 occupancy
;

_diffrn_ambient_temperature      16(2)
_diffrn_radiation_wavelength     0.49594
_diffrn_radiation_type           synchrotron
_diffrn_radiation_source         undulator
_diffrn_radiation_monochromator  diamond
_diffrn_measurement_device_type  'Bruker SMART 6000 CCD area detector'
_diffrn_measurement_method       'phi scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            17062
_diffrn_reflns_av_R_equivalents  0.0196
_diffrn_reflns_av_sigmaI/netI    0.0312
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         1.18
_diffrn_reflns_theta_max         21.97
_reflns_number_total             9024
_reflns_number_gt                8153
_reflns_threshold_expression     I>2\s(I)

_computing_data_collection       'SMART (Bruker, 1998b)'
_computing_cell_refinement       'SAINTPlus (Bruker, 1998a)'
_computing_data_reduction        'SAINTPlus (Bruker, 1998a)'
_computing_structure_solution    'SHELXTL ver. 5.1 (Sheldrick, 1998b)'
_computing_structure_refinement  'SHELXTL ver. 5.1 (Sheldrick, 1998b)'
_computing_molecular_graphics    'SHELXTL ver. 5.1 (Sheldrick, 1998b)'
_computing_publication_material  'SHELXTL ver. 5.1 (Sheldrick, 1998b)'

_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^ > 2sigma(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^)+(0.0565P)^2^+0.8449P] 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_number_reflns         9024
_refine_ls_number_parameters     327
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.0396
_refine_ls_R_factor_gt           0.0357
_refine_ls_wR_factor_ref         0.0936
_refine_ls_wR_factor_gt          0.0920
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_restrained_S_all      1.059
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.706557(14) 0.508505(12) 0.562670(10) 0.01185(5) Uani 1 1 d . . .
P1 P 0.88561(6) 0.91202(5) 0.81852(4) 0.01702(10) Uani 1 1 d . . .
F1 F 0.9421(2) 0.77321(13) 0.88858(12) 0.0341(3) Uani 1 1 d . . .
F2 F 1.04926(14) 0.91985(13) 0.77787(11) 0.0264(3) Uani 1 1 d . . .
F3 F 0.72196(15) 0.90347(13) 0.85875(10) 0.0256(3) Uani 1 1 d . . .
F4 F 0.85162(15) 0.89834(12) 0.71237(10) 0.0225(3) Uani 1 1 d . . .
F5 F 0.82905(14) 1.05047(11) 0.74805(9) 0.0209(2) Uani 1 1 d . . .
F6 F 0.91894(15) 0.92559(12) 0.92435(9) 0.0221(3) Uani 1 1 d . . .
N1 N 0.6270(2) 0.32477(18) 0.79310(14) 0.0213(3) Uani 1 1 d . A .
N2 N 0.2069(2) 0.30856(19) 0.66408(14) 0.0244(4) Uani 1 1 d . A .
N3 N 0.54611(18) 0.69621(17) 0.63463(15) 0.0200(3) Uani 1 1 d . B .
N4 N 0.12429(18) 0.66767(17) 0.52137(14) 0.0185(3) Uani 1 1 d . B .
C1 C 0.6556(2) 0.39023(19) 0.70623(15) 0.0175(4) Uani 1 1 d . . .
C2 C 0.5888(2) 0.2460(2) 0.90429(15) 0.0248(4) Uani 1 1 d . . .
C5 C 0.4528(2) 0.15826(18) 0.82435(15) 0.0195(4) Uani 1 1 d . . .
H5A H 0.4458 0.0865 0.8277 0.023 Uiso 0.69 1 d P A 1
H5B H 0.4737 0.2081 0.7495 0.023 Uiso 0.69 1 d P A 1
H5C H 0.5290 0.0883 0.8612 0.023 Uiso 0.31 1 d P A 2
H5D H 0.4838 0.2027 0.7510 0.023 Uiso 0.31 1 d P A 2
C6 C 0.3151(2) 0.32866(19) 0.85212(17) 0.0229(4) Uani 1 1 d . . .
H6A H 0.3304 0.3834 0.7777 0.027 Uiso 0.69 1 d P A 1
H6B H 0.2243 0.3620 0.8754 0.027 Uiso 0.69 1 d P A 1
H6C H 0.3384 0.3874 0.7826 0.027 Uiso 0.31 1 d P A 2
H6D H 0.3017 0.3583 0.9048 0.027 Uiso 0.31 1 d P A 2
C9 C 0.1763(2) 0.2339(2) 0.77919(16) 0.0274(5) Uani 1 1 d . . .
C12 C 0.2398(2) 0.37436(19) 0.57861(15) 0.0189(4) Uani 1 1 d . . .
C3 C 0.5787(3) 0.1330(3) 0.9034(2) 0.0175(5) Uiso 0.694(4) 1 d P A 1
H3A H 0.6726 0.0993 0.8794 0.021 Uiso 0.694(4) 1 calc PR A 1
H3B H 0.5621 0.0755 0.9793 0.021 Uiso 0.694(4) 1 calc PR A 1
C4 C 0.4473(3) 0.3030(3) 0.9327(2) 0.0159(5) Uiso 0.694(4) 1 d P A 1
H4A H 0.4553 0.3748 0.9282 0.019 Uiso 0.69 1 d P A 1
H4B H 0.4267 0.2540 1.0078 0.019 Uiso 0.69 1 d P A 1
C7 C 0.3069(3) 0.2157(3) 0.8555(2) 0.0146(5) Uiso 0.694(4) 1 d P A 1
H7A H 0.2892 0.1639 0.9305 0.018 Uiso 0.69 1 d P A 1
C8 C 0.7179(3) 0.2129(3) 0.9871(3) 0.0249(6) Uiso 0.694(4) 1 d P A 1
H8A H 0.7269 0.2827 0.9894 0.037 Uiso 0.694(4) 1 calc PR A 1
H8B H 0.8096 0.1792 0.9623 0.037 Uiso 0.694(4) 1 calc PR A 1
H8C H 0.6979 0.1560 1.0613 0.037 Uiso 0.694(4) 1 calc PR A 1
C10 C 0.1558(4) 0.1228(4) 0.7916(3) 0.0347(8) Uiso 0.694(4) 1 d P A 1
H10A H 0.0748 0.1397 0.7436 0.052 Uiso 0.69 1 d P A 1
H10B H 0.2428 0.0827 0.7722 0.052 Uiso 0.69 1 d P A 1
H10C H 0.1337 0.0764 0.8671 0.052 Uiso 0.69 1 d P A 1
C11 C 0.0321(4) 0.3036(3) 0.8074(3) 0.0281(7) Uiso 0.694(4) 1 d P A 1
H11A H -0.0486 0.3155 0.7619 0.042 Uiso 0.69 1 d P A 1
H11B H 0.0116 0.2603 0.8843 0.042 Uiso 0.69 1 d P A 1
H11C H 0.0444 0.3775 0.7942 0.042 Uiso 0.69 1 d P A 1
C3A C 0.6951(11) 0.1534(10) 0.9539(9) 0.043(2) Uiso 0.306(4) 1 d P A 2
H3AA H 0.7104 0.1072 0.9143 0.065 Uiso 0.306(4) 1 calc PR A 2
H3AB H 0.6694 0.1070 1.0303 0.065 Uiso 0.306(4) 1 calc PR A 2
H3AC H 0.7852 0.1765 0.9544 0.065 Uiso 0.306(4) 1 calc PR A 2
C4A C 0.5455(12) 0.3369(10) 0.9593(9) 0.044(2) Uiso 0.306(4) 1 d P A 2
H4AA H 0.6349 0.3538 0.9725 0.066 Uiso 0.306(4) 1 calc PR A 2
H4AB H 0.4979 0.3011 1.0297 0.066 Uiso 0.306(4) 1 calc PR A 2
H4AC H 0.4784 0.4093 0.9080 0.066 Uiso 0.306(4) 1 calc PR A 2
C7A C 0.0386(9) 0.1884(8) 0.7730(7) 0.0339(18) Uiso 0.306(4) 1 d P A 2
H7AA H -0.0497 0.2527 0.7498 0.051 Uiso 0.306(4) 1 calc PR A 2
H7AB H 0.0251 0.1265 0.8463 0.051 Uiso 0.306(4) 1 calc PR A 2
H7AC H 0.0559 0.1581 0.7193 0.051 Uiso 0.306(4) 1 calc PR A 2
C8A C 0.4290(7) 0.2291(7) 0.8889(6) 0.0228(13) Uiso 0.306(4) 1 d P A 2
H8AA H 0.4030 0.1761 0.9651 0.027 Uiso 0.306(4) 1 calc PR A 2
C10A C 0.3090(8) 0.1254(7) 0.8168(6) 0.0262(15) Uiso 0.306(4) 1 d P A 2
H10D H 0.2908 0.0642 0.8902 0.031 Uiso 0.306(4) 1 calc PR A 2
H10E H 0.3200 0.0942 0.7632 0.031 Uiso 0.306(4) 1 calc PR A 2
C11A C 0.1577(7) 0.2975(7) 0.8362(6) 0.0212(13) Uiso 0.306(4) 1 d P A 2
H11D H 0.0847 0.3691 0.7969 0.025 Uiso 0.31 1 d P A 2
H11E H 0.1213 0.2551 0.9080 0.025 Uiso 0.31 1 d P A 2
C13 C 0.6050(2) 0.62783(19) 0.60632(15) 0.0175(4) Uani 1 1 d . . .
C14 C 0.4558(2) 0.7757(2) 0.67299(19) 0.0223(4) Uani 1 1 d . . .
C17 C 0.2541(2) 0.66699(19) 0.71766(16) 0.0202(4) Uani 1 1 d . . .
H17A H 0.1944 0.6264 0.7759 0.024 Uiso 0.74 1 d P B 1
H17B H 0.3113 0.6140 0.6922 0.024 Uiso 0.74 1 d P B 1
H17C H 0.3190 0.6104 0.6998 0.024 Uiso 0.26 1 d P B 2
H17D H 0.2652 0.6395 0.7959 0.024 Uiso 0.26 1 d P B 2
C18 C 0.2522(2) 0.83944(18) 0.53010(16) 0.0187(4) Uani 1 1 d . . .
H18A H 0.3071 0.7919 0.4980 0.022 Uiso 0.74 1 d P B 1
H18B H 0.1902 0.9068 0.4722 0.022 Uiso 0.74 1 d P B 1
H18C H 0.2803 0.9122 0.4922 0.022 Uiso 0.26 1 d P B 2
H18D H 0.3035 0.7910 0.4979 0.022 Uiso 0.26 1 d P B 2
C21 C 0.0448(2) 0.73610(19) 0.57519(16) 0.0186(4) Uani 1 1 d . . .
C24 C 0.1881(2) 0.60734(18) 0.48541(15) 0.0164(3) Uani 1 1 d . . .
C15 C 0.3580(3) 0.7100(3) 0.7628(2) 0.0176(5) Uiso 0.736(4) 1 d P B 1
H15A H 0.2986 0.7617 0.7920 0.021 Uiso 0.736(4) 1 calc PR B 1
H15B H 0.4205 0.6425 0.8249 0.021 Uiso 0.736(4) 1 calc PR B 1
C16 C 0.3569(3) 0.8774(3) 0.5736(2) 0.0196(5) Uiso 0.736(4) 1 d P B 1
H16A H 0.4180 0.9154 0.5149 0.024 Uiso 0.74 1 d P B 1
H16B H 0.3018 0.9332 0.5964 0.024 Uiso 0.74 1 d P B 1
C19 C 0.1560(3) 0.7705(2) 0.6216(2) 0.0147(4) Uiso 0.736(4) 1 d P B 1
H19A H 0.1006 0.8212 0.6502 0.018 Uiso 0.74 1 d P B 1
C20 C 0.5549(3) 0.8215(3) 0.7164(3) 0.0256(6) Uiso 0.736(4) 1 d P B 1
H20A H 0.6167 0.7564 0.7790 0.038 Uiso 0.736(4) 1 calc PR B 1
H20B H 0.4940 0.8761 0.7409 0.038 Uiso 0.736(4) 1 calc PR B 1
H20C H 0.6171 0.8614 0.6571 0.038 Uiso 0.736(4) 1 calc PR B 1
C22 C -0.0393(3) 0.6539(3) 0.6717(2) 0.0202(5) Uiso 0.736(4) 1 d P B 1
H22A H -0.1082 0.6337 0.6406 0.030 Uiso 0.74 1 d P B 1
H22B H 0.0293 0.5848 0.7210 0.030 Uiso 0.74 1 d P B 1
H22C H -0.0916 0.6937 0.7118 0.030 Uiso 0.74 1 d P B 1
C23 C -0.0658(3) 0.8381(3) 0.4919(2) 0.0200(5) Uiso 0.736(4) 1 d P B 1
H23A H -0.0157 0.8886 0.4327 0.030 Uiso 0.74 1 d P B 1
H23B H -0.1267 0.8106 0.4621 0.030 Uiso 0.74 1 d P B 1
H23C H -0.1260 0.8800 0.5274 0.030 Uiso 0.74 1 d P B 1
C15A C 0.5043(14) 0.7118(12) 0.7992(10) 0.044(3) Uiso 0.264(4) 1 d P B 2
H15C H 0.6070 0.7111 0.8065 0.065 Uiso 0.264(4) 1 calc PR B 2
H15D H 0.4942 0.6318 0.8328 0.065 Uiso 0.264(4) 1 calc PR B 2
H15E H 0.4422 0.7527 0.8369 0.065 Uiso 0.264(4) 1 calc PR B 2
C16A C 0.5044(15) 0.8863(13) 0.6127(11) 0.049(3) Uiso 0.264(4) 1 d P B 2
H16C H 0.4736 0.9248 0.5364 0.073 Uiso 0.26 1 d P B 2
H16D H 0.4626 0.9364 0.6457 0.073 Uiso 0.26 1 d P B 2
H16E H 0.6099 0.8694 0.6189 0.073 Uiso 0.26 1 d P B 2
C19A C -0.1169(10) 0.7625(9) 0.5517(8) 0.0289(18) Uiso 0.264(4) 1 d P B 2
H19B H -0.1492 0.6900 0.5871 0.043 Uiso 0.264(4) 1 calc PR B 2
H19C H -0.1365 0.8000 0.4715 0.043 Uiso 0.264(4) 1 calc PR B 2
H19D H -0.1705 0.8146 0.5814 0.043 Uiso 0.264(4) 1 calc PR B 2
C22A C 0.0959(8) 0.6765(7) 0.6898(6) 0.0188(14) Uiso 0.264(4) 1 d P B 2
H22D H 0.0826 0.5966 0.7222 0.023 Uiso 0.264(4) 1 calc PR B 2
H22E H 0.0302 0.7156 0.7286 0.023 Uiso 0.264(4) 1 calc PR B 2
C23A C 0.0920(8) 0.8607(7) 0.5140(6) 0.0192(14) Uiso 0.264(4) 1 d P B 2
H23D H 0.0654 0.9002 0.4338 0.023 Uiso 0.264(4) 1 calc PR B 2
H23E H 0.0386 0.9117 0.5458 0.023 Uiso 0.264(4) 1 calc PR B 2
C20A C 0.2986(8) 0.7786(8) 0.6569(6) 0.0210(15) Uiso 0.264(4) 1 d P B 2
H20D H 0.2381 0.8306 0.6865 0.025 Uiso 0.264(4) 1 calc PR B 2
N1S N 1.2995(6) 0.4914(9) 1.0583(8) 0.082(2) Uiso 0.50 1 d PD . .
C1S C 1.1765(5) 0.4960(7) 1.0371(6) 0.0522(16) Uiso 0.50 1 d PD . .
C2S C 1.0291(5) 0.5004(6) 1.0124(5) 0.0403(13) Uiso 0.50 1 d PD . .
H2SA H 1.0264 0.4306 1.0099 0.048 Uiso 0.50 1 d P . .
H2SB H 0.9918 0.5667 0.9426 0.048 Uiso 0.50 1 d P . .
H2SC H 0.9699 0.5059 1.0716 0.048 Uiso 0.50 1 d P . .

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 0.01510(6) 0.01291(9) 0.00806(6) -0.00530(5) 0.00306(4) -0.00429(4)
P1 0.0267(2) 0.0136(3) 0.01043(18) -0.00573(17) 0.00513(16) -0.00549(18)
F1 0.0597(10) 0.0142(7) 0.0226(6) -0.0061(5) -0.0026(6) -0.0032(6)
F2 0.0242(6) 0.0332(8) 0.0258(6) -0.0191(6) 0.0063(5) -0.0046(5)
F3 0.0330(7) 0.0328(8) 0.0188(5) -0.0150(5) 0.0127(5) -0.0184(6)
F4 0.0344(6) 0.0229(7) 0.0148(5) -0.0119(5) 0.0065(4) -0.0096(5)
F5 0.0322(6) 0.0136(6) 0.0138(5) -0.0051(4) 0.0041(4) -0.0043(5)
F6 0.0330(6) 0.0220(7) 0.0129(5) -0.0090(5) 0.0029(4) -0.0081(5)
N1 0.0257(8) 0.0258(10) 0.0135(7) -0.0085(6) 0.0066(6) -0.0113(7)
N2 0.0281(8) 0.0258(11) 0.0152(7) -0.0040(7) 0.0034(6) -0.0120(7)
N3 0.0183(7) 0.0235(10) 0.0223(7) -0.0145(7) 0.0019(6) -0.0045(6)
N4 0.0189(7) 0.0227(10) 0.0182(7) -0.0132(6) 0.0026(5) -0.0054(6)
C1 0.0195(8) 0.0211(11) 0.0139(7) -0.0094(7) 0.0039(6) -0.0067(7)
C2 0.0309(10) 0.0344(13) 0.0097(7) -0.0070(7) 0.0067(6) -0.0177(9)
C5 0.0275(9) 0.0145(10) 0.0149(7) -0.0065(6) 0.0077(6) -0.0053(7)
C6 0.0302(10) 0.0164(11) 0.0205(8) -0.0091(7) 0.0123(7) -0.0059(7)
C9 0.0282(10) 0.0313(13) 0.0128(8) 0.0017(7) 0.0033(7) -0.0165(9)
C12 0.0217(8) 0.0196(11) 0.0145(7) -0.0066(7) 0.0019(6) -0.0068(7)
C13 0.0176(7) 0.0207(10) 0.0154(7) -0.0092(7) 0.0013(6) -0.0052(6)
C14 0.0211(8) 0.0270(12) 0.0295(10) -0.0222(9) 0.0019(7) -0.0051(7)
C17 0.0206(8) 0.0204(11) 0.0155(7) -0.0058(7) 0.0011(6) -0.0038(7)
C18 0.0213(8) 0.0153(10) 0.0181(8) -0.0072(7) 0.0034(6) -0.0040(7)
C21 0.0170(7) 0.0242(11) 0.0199(8) -0.0164(8) 0.0029(6) -0.0018(7)
C24 0.0187(7) 0.0194(10) 0.0134(7) -0.0088(6) 0.0020(6) -0.0067(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 C12 1.961(2) 2_666 ?
Rh1 C13 1.966(2) . ?
Rh1 C24 1.976(2) 2_666 ?
Rh1 C1 1.976(2) . ?
P1 F5 1.6045(14) . ?
P1 F2 1.6076(14) . ?
P1 F1 1.6077(16) . ?
P1 F3 1.6078(14) . ?
P1 F6 1.6084(13) . ?
P1 F4 1.6152(13) . ?
N1 C1 1.158(3) . ?
N1 C2 1.466(3) . ?
N2 C12 1.162(3) . ?
N2 C9 1.467(3) . ?
N3 C13 1.158(3) . ?
N3 C14 1.458(3) . ?
N4 C24 1.156(3) . ?
N4 C21 1.462(2) . ?
C2 C3A 1.304(11) . ?
C2 C4 1.478(3) . ?
C2 C3 1.554(4) . ?
C2 C8 1.567(4) . ?
C2 C8A 1.628(7) . ?
C2 C4A 1.669(11) . ?
C5 C7 1.527(3) . ?
C5 C3 1.540(3) . ?
C5 C8A 1.545(8) . ?
C5 C10A 1.557(8) . ?
C6 C8A 1.387(7) . ?
C6 C7 1.521(4) . ?
C6 C4 1.599(4) . ?
C6 C11A 1.702(7) . ?
C9 C11A 1.377(8) . ?
C9 C10 1.487(5) . ?
C9 C10A 1.560(8) . ?
C9 C11 1.571(4) . ?
C9 C7 1.581(3) . ?
C9 C7A 1.597(9) . ?
C12 Rh1 1.961(2) 2_666 ?
C14 C16A 1.496(15) . ?
C14 C20A 1.508(8) . ?
C14 C15 1.530(4) . ?
C14 C20 1.533(4) . ?
C14 C16 1.552(4) . ?
C14 C15A 1.571(13) . ?
C17 C20A 1.487(9) . ?
C17 C22A 1.533(8) . ?
C17 C19 1.534(3) . ?
C17 C15 1.554(3) . ?
C18 C23A 1.481(8) . ?
C18 C16 1.498(4) . ?
C18 C19 1.547(3) . ?
C18 C20A 1.575(8) . ?
C21 C22A 1.443(7) . ?
C21 C19A 1.503(9) . ?
C21 C23 1.507(3) . ?
C21 C19 1.537(3) . ?
C21 C22 1.578(4) . ?
C21 C23A 1.645(9) . ?
C24 Rh1 1.976(2) 2_666 ?
N1S C1S 1.201(3) . ?
C1S C2S 1.441(3) . ?
C2S C2S 0.675(9) 2_767 ?

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
C12 Rh1 C13 91.70(9) 2_666 . ?
C12 Rh1 C24 86.34(8) 2_666 2_666 ?
C13 Rh1 C24 177.97(8) . 2_666 ?
C12 Rh1 C1 179.04(8) 2_666 . ?
C13 Rh1 C1 88.28(8) . . ?
C24 Rh1 C1 93.67(8) 2_666 . ?
F5 P1 F2 90.13(8) . . ?
F5 P1 F1 179.71(8) . . ?
F2 P1 F1 89.87(9) . . ?
F5 P1 F3 90.12(8) . . ?
F2 P1 F3 179.53(8) . . ?
F1 P1 F3 89.88(9) . . ?
F5 P1 F6 90.10(7) . . ?
F2 P1 F6 90.27(7) . . ?
F1 P1 F6 90.19(8) . . ?
F3 P1 F6 90.13(7) . . ?
F5 P1 F4 89.90(7) . . ?
F2 P1 F4 89.92(7) . . ?
F1 P1 F4 89.80(8) . . ?
F3 P1 F4 89.69(7) . . ?
F6 P1 F4 179.82(8) . . ?
C1 N1 C2 177.5(2) . . ?
C12 N2 C9 171.1(2) . . ?
C13 N3 C14 172.6(2) . . ?
C24 N4 C21 175.6(2) . . ?
N1 C1 Rh1 176.02(19) . . ?
C3A C2 N1 112.0(5) . . ?
C3A C2 C4 138.1(5) . . ?
N1 C2 C4 109.3(2) . . ?
C3A C2 C3 62.2(5) . . ?
N1 C2 C3 107.89(18) . . ?
C4 C2 C3 111.1(2) . . ?
C3A C2 C8 46.5(5) . . ?
N1 C2 C8 107.9(2) . . ?
C4 C2 C8 112.9(2) . . ?
C3 C2 C8 107.6(2) . . ?
C3A C2 C8A 118.3(6) . . ?
N1 C2 C8A 105.7(3) . . ?
C4 C2 C8A 54.6(3) . . ?
C3 C2 C8A 60.6(3) . . ?
C8 C2 C8A 146.4(3) . . ?
C3A C2 C4A 116.9(6) . . ?
N1 C2 C4A 99.7(4) . . ?
C4 C2 C4A 47.5(4) . . ?
C3 C2 C4A 150.4(4) . . ?
C8 C2 C4A 72.8(4) . . ?
C8A C2 C4A 102.1(5) . . ?
C7 C5 C3 111.01(18) . . ?
C7 C5 C8A 52.5(3) . . ?
C3 C5 C8A 62.7(3) . . ?
C7 C5 C10A 59.6(3) . . ?
C3 C5 C10A 144.0(3) . . ?
C8A C5 C10A 110.7(4) . . ?
C8A C6 C7 55.5(3) . . ?
C8A C6 C4 56.7(3) . . ?
C7 C6 C4 109.23(19) . . ?
C8A C6 C11A 109.7(4) . . ?
C7 C6 C11A 55.3(3) . . ?
C4 C6 C11A 147.9(3) . . ?
C11A C9 N2 107.9(4) . . ?
C11A C9 C10 140.7(4) . . ?
N2 C9 C10 110.6(2) . . ?
C11A C9 C10A 117.0(4) . . ?
N2 C9 C10A 103.5(3) . . ?
C10 C9 C10A 60.2(4) . . ?
C11A C9 C11 49.7(3) . . ?
N2 C9 C11 106.5(2) . . ?
C10 C9 C11 110.5(2) . . ?
C10A C9 C11 149.8(3) . . ?
C11A C9 C7 60.6(3) . . ?
N2 C9 C7 107.65(18) . . ?
C10 C9 C7 112.8(2) . . ?
C10A C9 C7 58.4(3) . . ?
C11 C9 C7 108.5(2) . . ?
C11A C9 C7A 116.1(5) . . ?
N2 C9 C7A 106.0(4) . . ?
C10 C9 C7A 45.0(4) . . ?
C10A C9 C7A 105.0(5) . . ?
C11 C9 C7A 69.5(4) . . ?
C7 C9 C7A 145.2(4) . . ?
N2 C12 Rh1 176.9(2) . 2_666 ?
C5 C3 C2 110.8(2) . . ?
C2 C4 C6 112.1(2) . . ?
C6 C7 C5 110.7(2) . . ?
C6 C7 C9 112.1(2) . . ?
C5 C7 C9 110.8(2) . . ?
C6 C8A C5 117.5(5) . . ?
C6 C8A C2 115.5(5) . . ?
C5 C8A C2 106.7(4) . . ?
C5 C10A C9 110.4(5) . . ?
C9 C11A C6 113.0(4) . . ?
N3 C13 Rh1 178.38(18) . . ?
N3 C14 C16A 106.1(6) . . ?
N3 C14 C20A 106.4(4) . . ?
C16A C14 C20A 118.5(6) . . ?
N3 C14 C15 108.1(2) . . ?
C16A C14 C15 145.7(6) . . ?
C20A C14 C15 53.7(3) . . ?
N3 C14 C20 109.54(19) . . ?
C16A C14 C20 51.6(5) . . ?
C20A C14 C20 144.0(4) . . ?
C15 C14 C20 111.9(2) . . ?
N3 C14 C16 108.07(18) . . ?
C16A C14 C16 62.7(5) . . ?
C20A C14 C16 58.1(3) . . ?
C15 C14 C16 108.80(19) . . ?
C20 C14 C16 110.3(2) . . ?
N3 C14 C15A 101.6(5) . . ?
C16A C14 C15A 110.9(8) . . ?
C20A C14 C15A 111.7(6) . . ?
C15 C14 C15A 58.6(5) . . ?
C20 C14 C15A 59.7(5) . . ?
C16 C14 C15A 150.3(5) . . ?
C20A C17 C22A 113.4(5) . . ?
C20A C17 C19 60.2(3) . . ?
C22A C17 C19 54.3(3) . . ?
C20A C17 C15 53.6(3) . . ?
C22A C17 C15 147.0(4) . . ?
C19 C17 C15 110.1(2) . . ?
C23A C18 C16 139.2(4) . . ?
C23A C18 C19 57.2(3) . . ?
C16 C18 C19 112.39(18) . . ?
C23A C18 C20A 111.3(4) . . ?
C16 C18 C20A 57.8(3) . . ?
C19 C18 C20A 58.1(3) . . ?
C22A C21 N4 108.0(3) . . ?
C22A C21 C19A 117.6(5) . . ?
N4 C21 C19A 108.9(4) . . ?
C22A C21 C23 143.8(4) . . ?
N4 C21 C23 108.11(17) . . ?
C19A C21 C23 45.2(4) . . ?
C22A C21 C19 55.9(3) . . ?
N4 C21 C19 108.86(16) . . ?
C19A C21 C19 141.5(4) . . ?
C23 C21 C19 113.9(2) . . ?
C22A C21 C22 57.3(3) . . ?
N4 C21 C22 105.69(19) . . ?
C19A C21 C22 65.3(4) . . ?
C23 C21 C22 108.95(18) . . ?
C19 C21 C22 110.95(18) . . ?
C22A C21 C23A 108.3(4) . . ?
N4 C21 C23A 106.4(3) . . ?
C19A C21 C23A 107.1(5) . . ?
C23 C21 C23A 63.9(3) . . ?
C19 C21 C23A 54.1(3) . . ?
C22 C21 C23A 147.7(3) . . ?
N4 C24 Rh1 174.46(18) . 2_666 ?
C14 C15 C17 111.86(19) . . ?
C18 C16 C14 113.2(2) . . ?
C17 C19 C21 113.5(2) . . ?
C17 C19 C18 109.78(18) . . ?
C21 C19 C18 111.94(18) . . ?
C21 C22A C17 119.3(5) . . ?
C18 C23A C21 109.5(5) . . ?
C17 C20A C14 117.1(5) . . ?
C17 C20A C18 110.7(5) . . ?
C14 C20A C18 111.4(5) . . ?
N1S C1S C2S 179.5(11) . . ?
C2S C2S C1S 161.8(14) 2_767 . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C2 N1 C1 Rh1 27(7) . . . . ?
C12 Rh1 C1 N1 52(6) 2_666 . . . ?
C13 Rh1 C1 N1 -37(3) . . . . ?
C24 Rh1 C1 N1 143(3) 2_666 . . . ?
C1 N1 C2 C3A -130(5) . . . . ?
C1 N1 C2 C4 42(5) . . . . ?
C1 N1 C2 C3 163(5) . . . . ?
C1 N1 C2 C8 -81(5) . . . . ?
C1 N1 C2 C8A 100(5) . . . . ?
C1 N1 C2 C4A -6(5) . . . . ?
C12 N2 C9 C11A 31.6(16) . . . . ?
C12 N2 C9 C10 -156.0(15) . . . . ?
C12 N2 C9 C10A -93.1(16) . . . . ?
C12 N2 C9 C11 83.9(15) . . . . ?
C12 N2 C9 C7 -32.4(16) . . . . ?
C12 N2 C9 C7A 156.7(15) . . . . ?
C9 N2 C12 Rh1 -36(5) . . . 2_666 ?
C7 C5 C3 C2 -56.5(3) . . . . ?
C8A C5 C3 C2 -35.2(3) . . . . ?
C10A C5 C3 C2 -123.3(6) . . . . ?
C3A C2 C3 C5 -170.3(6) . . . . ?
N1 C2 C3 C5 -64.3(2) . . . . ?
C4 C2 C3 C5 55.5(2) . . . . ?
C8 C2 C3 C5 179.45(19) . . . . ?
C8A C2 C3 C5 33.9(3) . . . . ?
C4A C2 C3 C5 93.5(8) . . . . ?
C3A C2 C4 C6 -126.8(8) . . . . ?
N1 C2 C4 C6 63.6(3) . . . . ?
C3 C2 C4 C6 -55.3(3) . . . . ?
C8 C2 C4 C6 -176.3(2) . . . . ?
C8A C2 C4 C6 -32.2(4) . . . . ?
C4A C2 C4 C6 149.1(6) . . . . ?
C8A C6 C4 C2 37.6(4) . . . . ?
C7 C6 C4 C2 56.4(3) . . . . ?
C11A C6 C4 C2 111.0(5) . . . . ?
C8A C6 C7 C5 -37.6(4) . . . . ?
C4 C6 C7 C5 -56.7(2) . . . . ?
C11A C6 C7 C5 155.1(3) . . . . ?
C8A C6 C7 C9 -161.9(4) . . . . ?
C4 C6 C7 C9 178.95(18) . . . . ?
C11A C6 C7 C9 30.8(3) . . . . ?
C3 C5 C7 C6 58.6(3) . . . . ?
C8A C5 C7 C6 34.7(4) . . . . ?
C10A C5 C7 C6 -160.1(4) . . . . ?
C3 C5 C7 C9 -176.3(2) . . . . ?
C8A C5 C7 C9 159.7(4) . . . . ?
C10A C5 C7 C9 -35.1(4) . . . . ?
C11A C9 C7 C6 -36.6(4) . . . . ?
N2 C9 C7 C6 64.4(3) . . . . ?
C10 C9 C7 C6 -173.2(2) . . . . ?
C10A C9 C7 C6 159.8(4) . . . . ?
C11 C9 C7 C6 -50.4(3) . . . . ?
C7A C9 C7 C6 -130.9(7) . . . . ?
C11A C9 C7 C5 -160.9(4) . . . . ?
N2 C9 C7 C5 -59.8(3) . . . . ?
C10 C9 C7 C5 62.5(3) . . . . ?
C10A C9 C7 C5 35.5(4) . . . . ?
C11 C9 C7 C5 -174.7(2) . . . . ?
C7A C9 C7 C5 104.8(7) . . . . ?
C7 C6 C8A C5 39.5(4) . . . . ?
C4 C6 C8A C5 -162.2(7) . . . . ?
C11A C6 C8A C5 50.6(6) . . . . ?
C7 C6 C8A C2 167.0(6) . . . . ?
C4 C6 C8A C2 -34.7(3) . . . . ?
C11A C6 C8A C2 178.1(4) . . . . ?
C7 C5 C8A C6 -41.1(4) . . . . ?
C3 C5 C8A C6 164.2(7) . . . . ?
C10A C5 C8A C6 -54.7(7) . . . . ?
C7 C5 C8A C2 -172.8(6) . . . . ?
C3 C5 C8A C2 32.5(3) . . . . ?
C10A C5 C8A C2 173.6(4) . . . . ?
C3A C2 C8A C6 170.0(6) . . . . ?
N1 C2 C8A C6 -63.7(5) . . . . ?
C4 C2 C8A C6 39.1(4) . . . . ?
C3 C2 C8A C6 -165.7(6) . . . . ?
C8 C2 C8A C6 117.1(6) . . . . ?
C4A C2 C8A C6 40.2(6) . . . . ?
C3A C2 C8A C5 -57.2(7) . . . . ?
N1 C2 C8A C5 69.1(5) . . . . ?
C4 C2 C8A C5 171.9(6) . . . . ?
C3 C2 C8A C5 -32.9(3) . . . . ?
C8 C2 C8A C5 -110.1(6) . . . . ?
C4A C2 C8A C5 172.9(5) . . . . ?
C7 C5 C10A C9 35.5(3) . . . . ?
C3 C5 C10A C9 119.7(5) . . . . ?
C8A C5 C10A C9 48.0(6) . . . . ?
C11A C9 C10A C5 -50.6(6) . . . . ?
N2 C9 C10A C5 68.0(5) . . . . ?
C10 C9 C10A C5 174.2(6) . . . . ?
C11 C9 C10A C5 -106.2(7) . . . . ?
C7 C9 C10A C5 -34.6(3) . . . . ?
C7A C9 C10A C5 179.0(5) . . . . ?
N2 C9 C11A C6 -68.1(5) . . . . ?
C10 C9 C11A C6 123.3(5) . . . . ?
C10A C9 C11A C6 48.1(6) . . . . ?
C11 C9 C11A C6 -164.8(7) . . . . ?
C7 C9 C11A C6 32.5(3) . . . . ?
C7A C9 C11A C6 173.1(5) . . . . ?
C8A C6 C11A C9 -47.4(6) . . . . ?
C7 C6 C11A C9 -36.3(4) . . . . ?
C4 C6 C11A C9 -105.7(6) . . . . ?
C14 N3 C13 Rh1 -83(7) . . . . ?
C12 Rh1 C13 N3 -149(6) 2_666 . . . ?
C24 Rh1 C13 N3 -135(6) 2_666 . . . ?
C1 Rh1 C13 N3 30(6) . . . . ?
C13 N3 C14 C16A -150.3(16) . . . . ?
C13 N3 C14 C20A -23.2(17) . . . . ?
C13 N3 C14 C15 33.2(17) . . . . ?
C13 N3 C14 C20 155.4(15) . . . . ?
C13 N3 C14 C16 -84.3(16) . . . . ?
C13 N3 C14 C15A 93.7(17) . . . . ?
C24 N4 C21 C22A 27(3) . . . . ?
C24 N4 C21 C19A -101(3) . . . . ?
C24 N4 C21 C23 -149(2) . . . . ?
C24 N4 C21 C19 87(3) . . . . ?
C24 N4 C21 C22 -33(3) . . . . ?
C24 N4 C21 C23A 143(3) . . . . ?
C21 N4 C24 Rh1 15(4) . . . 2_666 ?
N3 C14 C15 C17 -61.1(2) . . . . ?
C16A C14 C15 C17 124.8(10) . . . . ?
C20A C14 C15 C17 36.3(4) . . . . ?
C20 C14 C15 C17 178.2(2) . . . . ?
C16 C14 C15 C17 56.0(3) . . . . ?
C15A C14 C15 C17 -153.9(6) . . . . ?
C20A C17 C15 C14 -36.9(4) . . . . ?
C22A C17 C15 C14 -113.7(6) . . . . ?
C19 C17 C15 C14 -59.1(2) . . . . ?
C23A C18 C16 C14 119.9(5) . . . . ?
C19 C18 C16 C14 54.8(3) . . . . ?
C20A C18 C16 C14 34.0(4) . . . . ?
N3 C14 C16 C18 62.9(2) . . . . ?
C16A C14 C16 C18 162.0(6) . . . . ?
C20A C14 C16 C18 -35.6(4) . . . . ?
C15 C14 C16 C18 -54.2(3) . . . . ?
C20 C14 C16 C18 -177.4(2) . . . . ?
C15A C14 C16 C18 -113.3(11) . . . . ?
C20A C17 C19 C21 162.1(4) . . . . ?
C22A C17 C19 C21 -30.6(4) . . . . ?
C15 C17 C19 C21 -177.47(17) . . . . ?
C20A C17 C19 C18 36.0(4) . . . . ?
C22A C17 C19 C18 -156.7(4) . . . . ?
C15 C17 C19 C18 56.4(2) . . . . ?
C22A C21 C19 C17 32.0(4) . . . . ?
N4 C21 C19 C17 -67.3(2) . . . . ?
C19A C21 C19 C17 124.8(7) . . . . ?
C23 C21 C19 C17 171.95(18) . . . . ?
C22 C21 C19 C17 48.6(2) . . . . ?
C23A C21 C19 C17 -164.2(4) . . . . ?
C22A C21 C19 C18 157.0(4) . . . . ?
N4 C21 C19 C18 57.6(2) . . . . ?
C19A C21 C19 C18 -110.2(7) . . . . ?
C23 C21 C19 C18 -63.1(2) . . . . ?
C22 C21 C19 C18 173.52(19) . . . . ?
C23A C21 C19 C18 -39.3(3) . . . . ?
C23A C18 C19 C17 169.6(4) . . . . ?
C16 C18 C19 C17 -55.3(3) . . . . ?
C20A C18 C19 C17 -34.5(4) . . . . ?
C23A C18 C19 C21 42.7(4) . . . . ?
C16 C18 C19 C21 177.75(19) . . . . ?
C20A C18 C19 C21 -161.5(4) . . . . ?
N4 C21 C22A C17 67.1(6) . . . . ?
C19A C21 C22A C17 -169.3(6) . . . . ?
C23 C21 C22A C17 -118.4(6) . . . . ?
C19 C21 C22A C17 -33.9(4) . . . . ?
C22 C21 C22A C17 164.5(8) . . . . ?
C23A C21 C22A C17 -47.7(7) . . . . ?
C20A C17 C22A C21 46.8(8) . . . . ?
C19 C17 C22A C21 34.8(4) . . . . ?
C15 C17 C22A C21 105.4(6) . . . . ?
C16 C18 C23A C21 -125.5(5) . . . . ?
C19 C18 C23A C21 -38.5(3) . . . . ?
C20A C18 C23A C21 -60.5(6) . . . . ?
C22A C21 C23A C18 54.7(6) . . . . ?
N4 C21 C23A C18 -61.2(5) . . . . ?
C19A C21 C23A C18 -177.5(5) . . . . ?
C23 C21 C23A C18 -163.7(5) . . . . ?
C19 C21 C23A C18 40.6(3) . . . . ?
C22 C21 C23A C18 111.9(5) . . . . ?
C22A C17 C20A C14 -175.8(5) . . . . ?
C19 C17 C20A C14 -164.6(7) . . . . ?
C15 C17 C20A C14 39.5(4) . . . . ?
C22A C17 C20A C18 -46.7(6) . . . . ?
C19 C17 C20A C18 -35.5(3) . . . . ?
C15 C17 C20A C18 168.6(6) . . . . ?
N3 C14 C20A C17 60.5(6) . . . . ?
C16A C14 C20A C17 179.7(7) . . . . ?
C15 C14 C20A C17 -40.2(4) . . . . ?
C20 C14 C20A C17 -117.3(6) . . . . ?
C16 C14 C20A C17 161.9(7) . . . . ?
C15A C14 C20A C17 -49.5(8) . . . . ?
N3 C14 C20A C18 -68.3(6) . . . . ?
C16A C14 C20A C18 50.9(9) . . . . ?
C15 C14 C20A C18 -168.9(7) . . . . ?
C20 C14 C20A C18 113.9(6) . . . . ?
C16 C14 C20A C18 33.1(4) . . . . ?
C15A C14 C20A C18 -178.3(6) . . . . ?
C23A C18 C20A C17 57.7(6) . . . . ?
C16 C18 C20A C17 -166.7(6) . . . . ?
C19 C18 C20A C17 36.0(3) . . . . ?
C23A C18 C20A C14 -170.2(5) . . . . ?
C16 C18 C20A C14 -34.6(4) . . . . ?
C19 C18 C20A C14 168.1(7) . . . . ?
N1S C1S C2S C2S -102(100) . . . 2_767 ?

_diffrn_measured_fraction_theta_max 0.847
_diffrn_reflns_theta_full        21.97
_diffrn_measured_fraction_theta_full 0.847
_refine_diff_density_max         1.363
_refine_diff_density_min         -1.084
_refine_diff_density_rms         0.103