data_global

_journal_coden_Cambridge         222
_journal_volume                  ?
_journal_page_first              ?
_journal_year                    ?

loop_
_publ_author_name
'Stephen Colbran'

_publ_contact_author_name        'Stephen Colbran'
_publ_contact_author_email       s.colbran@unsw.edu.au

_publ_section_title              
;
Hydride ion-carrier ability in Rh(I)
complexes of a nicotinamide-functionalised N-heterocyclic
carbene ligand
;

# Attachment '- Alex4_Deposition.cif'

data_alex4p21byc
_database_code_depnum_ccdc_archive 'CCDC 772903'
#TrackingRef '- Alex4_Deposition.cif'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C25 H41 F6 I N4 O3 P Rh'
_chemical_formula_weight         820.40

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
I I -0.4742 1.8119 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P2(1)/c

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

_cell_length_a                   8.0334(3)
_cell_length_b                   30.8460(10)
_cell_length_c                   13.2016(5)
_cell_angle_alpha                90.00
_cell_angle_beta                 104.854(2)
_cell_angle_gamma                90.00
_cell_volume                     3162.0(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    8064
_cell_measurement_theta_min      2.544
_cell_measurement_theta_max      28.263

_exptl_crystal_description       Blocks
_exptl_crystal_colour            'Yellow orange'
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.04
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.723
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1640
_exptl_absorpt_coefficient_mu    1.635
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.8483
_exptl_absorpt_correction_T_max  0.9375
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2003)'

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker kappa APEXII CCD Area Detector'
_diffrn_measurement_method       '\f scans, and \w scans with \k offsets'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            22900
_diffrn_reflns_av_R_equivalents  0.0469
_diffrn_reflns_av_sigmaI/netI    0.0468
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_k_min       -36
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         2.07
_diffrn_reflns_theta_max         25.00
_reflns_number_total             5556
_reflns_number_gt                4423
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       
;
APEX2(Bruker, 2007, Bruker AXS Inc., Madison, USA)
;
_computing_cell_refinement       
;
APEX2(Bruker, 2007, Bruker AXS Inc.,Madison, USA)
;
_computing_data_reduction        
;
APEX2(Bruker, 2007, Bruker AXS Inc., Madison, USA)
;
_computing_structure_solution    'SHELXS-97. Sheldrick, G. M. (2008)'
_computing_structure_refinement  'SHELXL-97. Sheldrick, G. M. (2008)'
_computing_molecular_graphics    'SHELXTL-Plus. Sheldrick, G. M. (2008)'

_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^)+(0.1000P)^2^+0.9000P] 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    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         5556
_refine_ls_number_parameters     388
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.0491
_refine_ls_R_factor_gt           0.0346
_refine_ls_wR_factor_ref         0.1135
_refine_ls_wR_factor_gt          0.1000
_refine_ls_goodness_of_fit_ref   0.804
_refine_ls_restrained_S_all      0.804
_refine_ls_shift/su_max          0.012
_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 0.90207(4) 0.083014(10) 0.34724(3) 0.01970(12) Uani 1 1 d . . .
I1 I 1.11727(4) 0.027415(9) 0.29119(2) 0.03249(13) Uani 1 1 d . . .
C11 C 1.0934(5) 0.12714(13) 0.3837(3) 0.0204(9) Uani 1 1 d . . .
N12 N 1.2117(4) 0.12872(11) 0.4759(3) 0.0246(8) Uani 1 1 d . . .
C13 C 1.3249(5) 0.16315(14) 0.4799(4) 0.0286(10) Uani 1 1 d . . .
H13 H 1.4191 0.1703 0.5373 0.034 Uiso 1 1 calc R . .
C14 C 1.2787(5) 0.18409(14) 0.3903(4) 0.0276(10) Uani 1 1 d . . .
H14 H 1.3321 0.2091 0.3709 0.033 Uiso 1 1 calc R . .
N15 N 1.1336(4) 0.16194(10) 0.3287(3) 0.0186(7) Uani 1 1 d . . .
C16 C 1.0468(5) 0.17374(13) 0.2257(3) 0.0213(9) Uani 1 1 d . . .
C17 C 1.0552(5) 0.21651(14) 0.1943(3) 0.0260(10) Uani 1 1 d . . .
H17 H 1.1201 0.2372 0.2415 0.031 Uiso 1 1 calc R . .
N18 N 0.9716(5) 0.22838(11) 0.0970(3) 0.0255(8) Uani 1 1 d . . .
C19 C 0.8739(5) 0.20052(14) 0.0293(3) 0.0282(10) Uani 1 1 d . . .
H19 H 0.8120 0.2103 -0.0381 0.034 Uiso 1 1 calc R . .
C20 C 0.8629(5) 0.15766(13) 0.0570(3) 0.0217(9) Uani 1 1 d . . .
C21 C 0.9517(5) 0.14414(13) 0.1550(3) 0.0225(9) Uani 1 1 d . . .
H21 H 0.9480 0.1146 0.1744 0.027 Uiso 1 1 calc R . .
C22 C 0.7440(5) 0.12662(13) -0.0159(3) 0.0230(9) Uani 1 1 d . . .
O23 O 0.5900(4) 0.12723(10) -0.0149(2) 0.0307(7) Uani 1 1 d . . .
N24 N 0.8128(4) 0.09936(12) -0.0714(3) 0.0251(8) Uani 1 1 d . . .
C25 C 0.9922(5) 0.10409(16) -0.0810(4) 0.0328(11) Uani 1 1 d . . .
H25 H 1.0418 0.1308 -0.0417 0.039 Uiso 1 1 calc R . .
C26 C 0.7090(6) 0.06276(14) -0.1275(4) 0.0296(10) Uani 1 1 d . . .
H26 H 0.7877 0.0450 -0.1584 0.036 Uiso 1 1 calc R . .
C27 C 0.6470(7) 0.03349(15) -0.0523(4) 0.0428(13) Uani 1 1 d . . .
H27A H 0.7438 0.0265 0.0076 0.064 Uiso 1 1 calc R . .
H27B H 0.6000 0.0067 -0.0884 0.064 Uiso 1 1 calc R . .
H27C H 0.5572 0.0484 -0.0274 0.064 Uiso 1 1 calc R . .
C28 C 0.5625(6) 0.07769(16) -0.2182(4) 0.0387(12) Uani 1 1 d . . .
H28A H 0.4740 0.0919 -0.1908 0.058 Uiso 1 1 calc R . .
H28B H 0.5121 0.0526 -0.2606 0.058 Uiso 1 1 calc R . .
H28C H 0.6067 0.0982 -0.2617 0.058 Uiso 1 1 calc R . .
C29 C 1.2242(6) 0.09746(17) 0.5603(4) 0.0369(12) Uani 1 1 d . . .
H29A H 1.1150 0.0818 0.5497 0.055 Uiso 1 1 calc R . .
H29B H 1.2490 0.1127 0.6276 0.055 Uiso 1 1 calc R . .
H29C H 1.3171 0.0769 0.5604 0.055 Uiso 1 1 calc R . .
C30 C 1.1019(7) 0.06558(19) -0.0299(5) 0.0523(15) Uani 1 1 d . . .
H30A H 1.1004 0.0637 0.0439 0.078 Uiso 1 1 calc R . .
H30B H 1.2206 0.0696 -0.0348 0.078 Uiso 1 1 calc R . .
H30C H 1.0550 0.0388 -0.0662 0.078 Uiso 1 1 calc R . .
C31 C 0.9942(7) 0.11041(18) -0.1937(4) 0.0480(14) Uani 1 1 d . . .
H31A H 0.9564 0.0837 -0.2329 0.072 Uiso 1 1 calc R . .
H31B H 1.1114 0.1175 -0.1974 0.072 Uiso 1 1 calc R . .
H31C H 0.9162 0.1341 -0.2240 0.072 Uiso 1 1 calc R . .
C32 C 0.9888(7) 0.27368(14) 0.0639(4) 0.0401(13) Uani 1 1 d . . .
H32A H 1.0230 0.2923 0.1259 0.060 Uiso 1 1 calc R . .
H32B H 0.8783 0.2836 0.0194 0.060 Uiso 1 1 calc R . .
H32C H 1.0767 0.2751 0.0244 0.060 Uiso 1 1 calc R . .
C21A C 0.7792(5) 0.11493(15) 0.4505(3) 0.0284(10) Uani 1 1 d . . .
H21A H 0.8871 0.1274 0.4845 0.034 Uiso 1 1 calc R . .
C22A C 0.7039(5) 0.12898(14) 0.3501(4) 0.0274(10) Uani 1 1 d . . .
H22A H 0.7663 0.1490 0.3193 0.033 Uiso 1 1 calc R . .
C23A C 0.5281(5) 0.11461(15) 0.2853(4) 0.0314(11) Uani 1 1 d . . .
H23A H 0.4556 0.1069 0.3330 0.038 Uiso 1 1 calc R . .
H23B H 0.4721 0.1392 0.2411 0.038 Uiso 1 1 calc R . .
C24A C 0.5364(5) 0.07611(15) 0.2153(4) 0.0321(11) Uani 1 1 d . . .
H24A H 0.4241 0.0609 0.1990 0.039 Uiso 1 1 calc R . .
H24B H 0.5553 0.0868 0.1484 0.039 Uiso 1 1 calc R . .
C25A C 0.6763(5) 0.04412(15) 0.2628(4) 0.0289(10) Uani 1 1 d . . .
H25A H 0.7399 0.0325 0.2176 0.035 Uiso 1 1 calc R . .
C26A C 0.7207(6) 0.03013(14) 0.3639(4) 0.0335(11) Uani 1 1 d . . .
H26A H 0.8169 0.0113 0.3841 0.040 Uiso 1 1 calc R . .
C27A C 0.6288(6) 0.04224(17) 0.4472(4) 0.0383(12) Uani 1 1 d . . .
H27D H 0.6329 0.0173 0.4949 0.046 Uiso 1 1 calc R . .
H27E H 0.5063 0.0483 0.4129 0.046 Uiso 1 1 calc R . .
C28A C 0.7077(6) 0.08183(16) 0.5117(4) 0.0391(12) Uani 1 1 d . . .
H28D H 0.6186 0.0958 0.5403 0.047 Uiso 1 1 calc R . .
H28E H 0.8013 0.0720 0.5718 0.047 Uiso 1 1 calc R . .
P1 P 0.61424(17) 0.23689(4) 0.72553(10) 0.0364(3) Uani 1 1 d . . .
F1 F 0.6612(4) 0.28401(10) 0.6913(3) 0.0594(9) Uani 1 1 d . . .
F2 F 0.4173(4) 0.24558(13) 0.6732(3) 0.0692(10) Uani 1 1 d . . .
F3 F 0.5715(5) 0.19045(11) 0.7590(4) 0.0910(14) Uani 1 1 d . . .
F4 F 0.8138(4) 0.22948(12) 0.7785(3) 0.0668(10) Uani 1 1 d . . .
F5 F 0.6365(5) 0.21949(13) 0.6172(3) 0.0805(12) Uani 1 1 d . . .
F6 F 0.5915(4) 0.25571(12) 0.8319(3) 0.0640(9) Uani 1 1 d . . .
O1W O 0.3251(4) 0.17563(13) 0.0330(3) 0.0539(10) Uani 1 1 d D . .
H1O1 H 0.365(5) 0.1964(12) 0.074(4) 0.063 Uiso 1 1 d D . .
H2O1 H 0.2160(7) 0.1756(15) 0.021(4) 0.060 Uiso 1 1 d D . .
O2W O 0.2333(5) 0.20351(16) 0.8235(4) 0.0730(13) Uani 1 1 d D . .
H1O2 H 0.305(5) 0.1928(18) 0.793(3) 0.060 Uiso 1 1 d D . .
H2O2 H 0.261(6) 0.1955(19) 0.8873(13) 0.060 Uiso 1 1 d D . .

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 0.01949(19) 0.0179(2) 0.0211(2) 0.00046(13) 0.00405(14) -0.00134(12)
I1 0.02883(19) 0.0280(2) 0.0405(2) -0.00463(13) 0.00861(14) 0.00533(12)
C11 0.020(2) 0.020(2) 0.021(2) -0.0031(17) 0.0059(17) 0.0007(16)
N12 0.0222(17) 0.028(2) 0.020(2) -0.0019(15) -0.0015(15) 0.0003(15)
C13 0.024(2) 0.032(3) 0.027(3) -0.010(2) 0.0004(19) -0.0048(19)
C14 0.021(2) 0.028(2) 0.033(3) -0.009(2) 0.0042(19) -0.0063(18)
N15 0.0207(16) 0.0170(18) 0.0170(18) -0.0040(14) 0.0026(14) -0.0051(14)
C16 0.023(2) 0.019(2) 0.024(2) -0.0006(18) 0.0095(18) 0.0013(17)
C17 0.027(2) 0.024(2) 0.027(3) -0.0037(19) 0.0063(19) -0.0030(18)
N18 0.035(2) 0.0132(18) 0.030(2) 0.0035(16) 0.0095(17) -0.0023(15)
C19 0.032(2) 0.030(3) 0.023(2) 0.004(2) 0.0083(19) 0.004(2)
C20 0.026(2) 0.023(2) 0.018(2) -0.0023(18) 0.0088(18) 0.0012(17)
C21 0.027(2) 0.019(2) 0.021(2) -0.0001(18) 0.0043(18) 0.0014(17)
C22 0.034(2) 0.018(2) 0.014(2) 0.0040(17) 0.0000(18) 0.0030(18)
O23 0.0270(16) 0.0315(18) 0.0335(19) -0.0034(14) 0.0076(13) -0.0013(13)
N24 0.0249(18) 0.026(2) 0.022(2) -0.0035(16) 0.0014(15) -0.0001(15)
C25 0.026(2) 0.043(3) 0.030(3) -0.011(2) 0.008(2) -0.002(2)
C26 0.034(2) 0.025(2) 0.027(3) -0.010(2) 0.003(2) -0.0005(19)
C27 0.057(3) 0.022(3) 0.045(3) 0.001(2) 0.005(3) -0.007(2)
C28 0.042(3) 0.046(3) 0.022(3) -0.005(2) -0.003(2) -0.005(2)
C29 0.033(2) 0.049(3) 0.024(3) 0.006(2) -0.001(2) -0.002(2)
C30 0.033(3) 0.065(4) 0.054(4) -0.002(3) 0.003(3) 0.015(3)
C31 0.051(3) 0.056(4) 0.043(3) -0.006(3) 0.023(3) -0.011(3)
C32 0.048(3) 0.023(3) 0.047(3) 0.012(2) 0.008(3) -0.005(2)
C21A 0.024(2) 0.034(3) 0.029(3) -0.001(2) 0.0093(19) 0.0026(19)
C22A 0.029(2) 0.025(2) 0.031(3) -0.001(2) 0.014(2) 0.0046(19)
C23A 0.027(2) 0.040(3) 0.026(3) 0.006(2) 0.0047(19) 0.003(2)
C24A 0.025(2) 0.045(3) 0.026(3) 0.003(2) 0.0053(19) -0.003(2)
C25A 0.023(2) 0.030(2) 0.033(3) -0.007(2) 0.0064(19) -0.0095(19)
C26A 0.023(2) 0.029(3) 0.047(3) 0.009(2) 0.005(2) -0.0082(19)
C27A 0.028(2) 0.051(3) 0.035(3) 0.021(2) 0.006(2) -0.011(2)
C28A 0.033(3) 0.058(3) 0.028(3) 0.011(2) 0.013(2) 0.005(2)
P1 0.0412(7) 0.0309(7) 0.0360(8) -0.0022(6) 0.0082(6) 0.0011(6)
F1 0.0569(19) 0.046(2) 0.075(2) 0.0117(17) 0.0161(17) -0.0097(15)
F2 0.0377(16) 0.108(3) 0.060(2) 0.016(2) 0.0083(16) -0.0062(18)
F3 0.091(3) 0.039(2) 0.163(4) 0.023(2) 0.070(3) -0.0030(19)
F4 0.0445(17) 0.091(3) 0.065(2) 0.024(2) 0.0130(16) 0.0097(18)
F5 0.081(2) 0.100(3) 0.069(3) -0.046(2) 0.035(2) -0.041(2)
F6 0.061(2) 0.090(3) 0.0424(19) -0.0162(18) 0.0151(16) 0.0085(18)
O1W 0.0349(19) 0.062(3) 0.064(3) -0.014(2) 0.0097(19) -0.0023(18)
O2W 0.059(3) 0.063(3) 0.098(4) 0.031(3) 0.023(3) 0.013(2)

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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Rh1 C11 2.017(4) . ?
Rh1 C21A 2.120(4) . ?
Rh1 C22A 2.139(4) . ?
Rh1 C25A 2.222(4) . ?
Rh1 C26A 2.235(4) . ?
Rh1 I1 2.6708(4) . ?
C11 N12 1.339(5) . ?
C11 N15 1.380(5) . ?
N12 C13 1.390(5) . ?
N12 C29 1.458(6) . ?
C13 C14 1.315(6) . ?
C14 N15 1.415(5) . ?
N15 C16 1.407(5) . ?
C16 C21 1.387(6) . ?
C16 C17 1.390(6) . ?
C17 N18 1.338(5) . ?
N18 C19 1.340(5) . ?
N18 C32 1.481(5) . ?
C19 C20 1.381(6) . ?
C20 C21 1.373(6) . ?
C20 C22 1.511(6) . ?
C22 O23 1.241(5) . ?
C22 N24 1.325(5) . ?
N24 C26 1.484(5) . ?
N24 C25 1.486(5) . ?
C25 C31 1.504(7) . ?
C25 C30 1.529(7) . ?
C26 C27 1.518(7) . ?
C26 C28 1.519(6) . ?
C21A C22A 1.378(6) . ?
C21A C28A 1.504(6) . ?
C22A C23A 1.518(6) . ?
C23A C24A 1.516(6) . ?
C24A C25A 1.506(6) . ?
C25A C26A 1.360(7) . ?
C26A C27A 1.520(7) . ?
C27A C28A 1.530(7) . ?
P1 F3 1.563(4) . ?
P1 F6 1.573(3) . ?
P1 F2 1.579(3) . ?
P1 F5 1.580(4) . ?
P1 F4 1.593(3) . ?
P1 F1 1.596(3) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C11 Rh1 C21A 89.14(16) . . ?
C11 Rh1 C22A 94.21(16) . . ?
C21A Rh1 C22A 37.76(16) . . ?
C11 Rh1 C25A 163.45(17) . . ?
C21A Rh1 C25A 96.79(17) . . ?
C22A Rh1 C25A 81.43(17) . . ?
C11 Rh1 C26A 160.92(18) . . ?
C21A Rh1 C26A 81.53(18) . . ?
C22A Rh1 C26A 88.57(17) . . ?
C25A Rh1 C26A 35.53(17) . . ?
C11 Rh1 I1 89.53(11) . . ?
C21A Rh1 I1 156.61(12) . . ?
C22A Rh1 I1 165.43(12) . . ?
C25A Rh1 I1 91.01(12) . . ?
C26A Rh1 I1 92.48(13) . . ?
N12 C11 N15 104.1(3) . . ?
N12 C11 Rh1 124.2(3) . . ?
N15 C11 Rh1 131.7(3) . . ?
C11 N12 C13 111.6(4) . . ?
C11 N12 C29 124.4(4) . . ?
C13 N12 C29 124.0(4) . . ?
C14 C13 N12 108.1(4) . . ?
C13 C14 N15 106.3(4) . . ?
C11 N15 C16 125.8(3) . . ?
C11 N15 C14 110.0(3) . . ?
C16 N15 C14 124.2(3) . . ?
C21 C16 C17 119.0(4) . . ?
C21 C16 N15 122.1(4) . . ?
C17 C16 N15 119.0(4) . . ?
N18 C17 C16 119.7(4) . . ?
C17 N18 C19 122.0(4) . . ?
C17 N18 C32 118.6(4) . . ?
C19 N18 C32 119.4(4) . . ?
N18 C19 C20 120.2(4) . . ?
C21 C20 C19 119.2(4) . . ?
C21 C20 C22 119.9(4) . . ?
C19 C20 C22 120.7(4) . . ?
C20 C21 C16 119.9(4) . . ?
O23 C22 N24 125.0(4) . . ?
O23 C22 C20 116.9(4) . . ?
N24 C22 C20 117.9(4) . . ?
C22 N24 C26 119.9(3) . . ?
C22 N24 C25 122.4(4) . . ?
C26 N24 C25 117.7(3) . . ?
N24 C25 C31 110.7(4) . . ?
N24 C25 C30 110.3(4) . . ?
C31 C25 C30 112.7(4) . . ?
N24 C26 C27 111.2(4) . . ?
N24 C26 C28 112.7(4) . . ?
C27 C26 C28 112.2(4) . . ?
C22A C21A C28A 126.6(4) . . ?
C22A C21A Rh1 71.9(3) . . ?
C28A C21A Rh1 109.6(3) . . ?
C21A C22A C23A 124.5(4) . . ?
C21A C22A Rh1 70.3(2) . . ?
C23A C22A Rh1 112.7(3) . . ?
C24A C23A C22A 113.1(4) . . ?
C25A C24A C23A 113.8(4) . . ?
C26A C25A C24A 126.6(4) . . ?
C26A C25A Rh1 72.8(2) . . ?
C24A C25A Rh1 106.3(3) . . ?
C25A C26A C27A 125.3(4) . . ?
C25A C26A Rh1 71.7(2) . . ?
C27A C26A Rh1 110.0(3) . . ?
C26A C27A C28A 113.0(4) . . ?
C21A C28A C27A 113.8(4) . . ?
F3 P1 F6 90.1(2) . . ?
F3 P1 F2 90.6(2) . . ?
F6 P1 F2 89.7(2) . . ?
F3 P1 F5 91.6(2) . . ?
F6 P1 F5 178.2(2) . . ?
F2 P1 F5 89.7(2) . . ?
F3 P1 F4 90.8(2) . . ?
F6 P1 F4 89.73(19) . . ?
F2 P1 F4 178.5(2) . . ?
F5 P1 F4 90.8(2) . . ?
F3 P1 F1 179.0(2) . . ?
F6 P1 F1 90.4(2) . . ?
F2 P1 F1 90.25(19) . . ?
F5 P1 F1 87.9(2) . . ?
F4 P1 F1 88.32(18) . . ?

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         0.764
_refine_diff_density_min         -0.498
_refine_diff_density_rms         0.097