# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2014

#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
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# 
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#  data retrieval see:
#                         www.ccdc.cam.ac.uk
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#  from this site to visualise CIF-encoded structures and 
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data_alb188(2)

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C49 H36 Cl N6 Rh, C H2 Cl2'
_chemical_formula_sum            'C50 H38 Cl3 N6 Rh'
_chemical_formula_weight         932.12

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'
Cl Cl 0.1484 0.1585 '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'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 21/n'
_symmetry_space_group_name_Hall  '-P 2yn'

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

_cell_length_a                   13.2973(2)
_cell_length_b                   23.3659(3)
_cell_length_c                   14.0359(2)
_cell_angle_alpha                90.00
_cell_angle_beta                 103.471(1)
_cell_angle_gamma                90.00
_cell_volume                     4241.02(10)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    51396
_cell_measurement_theta_min      2.9678
_cell_measurement_theta_max      30.9647

_exptl_crystal_description       plate
_exptl_crystal_colour            red
_exptl_crystal_size_max          0.2893
_exptl_crystal_size_mid          0.2364
_exptl_crystal_size_min          0.0784
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.460
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1904
_exptl_absorpt_coefficient_mu    0.636
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_correction_T_min  0.861
_exptl_absorpt_correction_T_max  0.958
_exptl_absorpt_process_details   
; 
CrysAlisPro, Agilent Technologies, 
Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET) 
(compiled Jul 11 2012,15:38:31) 
Analytical numeric absorption correction using a multifaceted crystal 
model based on expressions derived by R.C. Clark & J.S. Reid. 
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897) 
;

_exptl_special_details           
; 
 The PLATON "squeeze" procedure was used to treat regions of diffuse 
 solvent(s) which could not be modelled in terms of atomic sites. The 
 number of electrons thus located, 180 per unit cell, is included 
 in the formula, formula weight, calculated density, μ and F(000). 
 This residual electron density was assigned to 4 molecules of 
 dichloromethane per unit cell. 4 molecules of dichloromethane 
 would give 168 e⁻. 
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'SuperNova (Mo) X-ray Source'
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.3196
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            111975
_diffrn_reflns_av_R_equivalents  0.0539
_diffrn_reflns_av_sigmaI/netI    0.0275
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       -33
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         2.97
_diffrn_reflns_theta_max         31.03
_reflns_number_total             12852
_reflns_number_gt                11328
_reflns_threshold_expression     I>2σ(I)

_computing_data_collection       
; 
CrysAlisPro, Agilent Technologies, 
Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET) 
(compiled Jul 11 2012,15:38:31) 
;
_computing_cell_refinement       
; 
CrysAlisPro, Agilent Technologies, 
Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET) 
(compiled Jul 11 2012,15:38:31) 
;
_computing_data_reduction        
; 
CrysAlisPro, Agilent Technologies, 
Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET) 
(compiled Jul 11 2012,15:38:31) 
;
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² 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/[σ²(Fo²)+(0.0541P)²+3.3978P] where P=(Fo²+2Fc²)/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         12852
_refine_ls_number_parameters     516
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0436
_refine_ls_R_factor_gt           0.0377
_refine_ls_wR_factor_ref         0.1036
_refine_ls_wR_factor_gt          0.1002
_refine_ls_goodness_of_fit_ref   1.073
_refine_ls_restrained_S_all      1.073
_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
Rh Rh 0.166968(9) 0.207567(5) 0.900588(9) 0.01452(5) Uani 1 1 d . . .
Cl1 Cl 0.09304(3) 0.14357(2) 0.76612(3) 0.02446(9) Uani 1 1 d . . .
N1 N 0.25668(11) 0.14115(6) 0.96115(11) 0.0159(3) Uani 1 1 d . . .
N3 N 0.07316(11) 0.27071(6) 0.83167(11) 0.0175(3) Uani 1 1 d . . .
N2 N 0.27330(11) 0.22835(6) 0.82500(11) 0.0171(3) Uani 1 1 d . . .
C2 C 0.32568(13) 0.06722(7) 1.06281(13) 0.0182(3) Uani 1 1 d . . .
H2 H 0.3363 0.0404 1.1151 0.022 Uiso 1 1 calc R . .
N4 N 0.05425(11) 0.18165(6) 0.96636(11) 0.0165(3) Uani 1 1 d . . .
C3 C 0.38759(13) 0.07521(7) 0.99957(13) 0.0180(3) Uani 1 1 d . . .
H3 H 0.4489 0.0546 0.9985 0.022 Uiso 1 1 calc R . .
C1 C 0.24090(13) 0.10690(7) 1.03588(12) 0.0162(3) Uani 1 1 d . . .
C13 C 0.39578(15) 0.21972(9) 0.73515(14) 0.0243(4) Uani 1 1 d . . .
H13 H 0.4482 0.2038 0.7073 0.029 Uiso 1 1 calc R . .
N5 N 0.18796(13) 0.30693(7) 1.04987(12) 0.0239(3) Uani 1 1 d . . .
C4 C 0.34288(13) 0.12098(7) 0.93417(12) 0.0164(3) Uani 1 1 d . . .
C37 C 0.06213(13) 0.13752(7) 1.03226(13) 0.0171(3) Uani 1 1 d . . .
C36 C -0.03843(14) 0.12657(7) 1.05101(13) 0.0193(3) Uani 1 1 d . . .
H36 H -0.0543 0.0990 1.0951 0.023 Uiso 1 1 calc R . .
C8 C 0.64633(15) 0.10586(8) 0.81247(15) 0.0238(4) Uani 1 1 d . . .
H8 H 0.7129 0.1227 0.8213 0.029 Uiso 1 1 calc R . .
C34 C -0.04795(13) 0.19823(7) 0.94098(13) 0.0177(3) Uani 1 1 d . . .
C25 C -0.06402(14) 0.33151(8) 0.78053(14) 0.0226(4) Uani 1 1 d . . .
H25 H -0.1320 0.3469 0.7686 0.027 Uiso 1 1 calc R . .
C15 C 0.27213(14) 0.27668(8) 0.76972(14) 0.0203(3) Uani 1 1 d . . .
C45 C 0.23353(13) 0.26341(7) 1.00983(12) 0.0159(3) Uani 1 1 d . . .
C7 C 0.56788(14) 0.13514(8) 0.84214(14) 0.0214(3) Uani 1 1 d . . .
H7 H 0.5809 0.1721 0.8705 0.026 Uiso 1 1 calc R . .
C38 C 0.15061(13) 0.10451(7) 1.07021(12) 0.0169(3) Uani 1 1 d . . .
C35 C -0.10594(13) 0.16295(7) 0.99380(13) 0.0192(3) Uani 1 1 d . . .
H35 H -0.1783 0.1649 0.9892 0.023 Uiso 1 1 calc R . .
C16 C 0.19923(14) 0.32085(8) 0.75842(14) 0.0207(3) Uani 1 1 d . . .
C29 C -0.26919(14) 0.26442(8) 0.78062(15) 0.0230(4) Uani 1 1 d . . .
H29 H -0.2488 0.2544 0.7223 0.028 Uiso 1 1 calc R . .
C23 C 0.10415(14) 0.31619(8) 0.78375(13) 0.0196(3) Uani 1 1 d . . .
C46 C 0.26072(17) 0.34054(9) 1.11182(16) 0.0296(4) Uani 1 1 d . . .
H46 H 0.2470 0.3735 1.1463 0.036 Uiso 1 1 calc R . .
C39 C 0.14035(13) 0.05863(7) 1.14201(13) 0.0181(3) Uani 1 1 d . . .
C10 C 0.53114(17) 0.02713(9) 0.75957(16) 0.0294(4) Uani 1 1 d . . .
H10 H 0.5184 -0.0098 0.7309 0.035 Uiso 1 1 calc R . .
C28 C -0.19797(13) 0.26091(8) 0.87110(14) 0.0209(3) Uani 1 1 d . . .
C5 C 0.38345(13) 0.14254(7) 0.85775(13) 0.0179(3) Uani 1 1 d . . .
C24 C 0.01851(14) 0.35546(8) 0.75384(14) 0.0220(3) Uani 1 1 d . . .
H24 H 0.0197 0.3912 0.7217 0.026 Uiso 1 1 calc R . .
C20 C 0.27983(17) 0.47557(9) 0.62946(18) 0.0331(5) Uani 1 1 d . . .
H20 H 0.2977 0.5102 0.6020 0.040 Uiso 1 1 calc R . .
N6 N 0.33694(12) 0.27145(7) 1.05182(12) 0.0234(3) Uani 1 1 d . . .
C33 C -0.22972(15) 0.27609(9) 0.95593(16) 0.0271(4) Uani 1 1 d . . .
H33 H -0.1818 0.2740 1.0177 0.033 Uiso 1 1 calc R . .
C27 C -0.08816(13) 0.24347(8) 0.87827(13) 0.0184(3) Uani 1 1 d . . .
C17 C 0.22495(14) 0.37463(8) 0.71146(15) 0.0239(4) Uani 1 1 d . . .
C41 C 0.08863(16) -0.03793(8) 1.17264(16) 0.0256(4) Uani 1 1 d . . .
H41 H 0.0650 -0.0748 1.1488 0.031 Uiso 1 1 calc R . .
C43 C 0.1401(2) 0.02786(9) 1.30628(16) 0.0321(5) Uani 1 1 d . . .
H43 H 0.1525 0.0360 1.3743 0.038 Uiso 1 1 calc R . .
C9 C 0.62796(16) 0.05210(9) 0.76997(15) 0.0269(4) Uani 1 1 d . . .
H9 H 0.6811 0.0325 0.7482 0.032 Uiso 1 1 calc R . .
C6 C 0.47001(13) 0.11063(8) 0.83064(13) 0.0189(3) Uani 1 1 d . . .
C18 C 0.17639(17) 0.38989(8) 0.61573(15) 0.0271(4) Uani 1 1 d . . .
H18 H 0.1245 0.3658 0.5781 0.033 Uiso 1 1 calc R . .
C48 C 0.07795(16) 0.31961(10) 1.03728(17) 0.0312(4) Uani 1 1 d . . .
H48A H 0.0534 0.3417 0.9770 0.047 Uiso 1 1 calc R . .
H48B H 0.0677 0.3419 1.0934 0.047 Uiso 1 1 calc R . .
H48C H 0.0390 0.2837 1.0330 0.047 Uiso 1 1 calc R . .
C19 C 0.20372(19) 0.44025(9) 0.57515(16) 0.0311(4) Uani 1 1 d . . .
H19 H 0.1701 0.4505 0.5100 0.037 Uiso 1 1 calc R . .
C31 C -0.40069(17) 0.29750(9) 0.8605(2) 0.0329(5) Uani 1 1 d . . .
H31 H -0.4695 0.3100 0.8567 0.039 Uiso 1 1 calc R . .
C14 C 0.35076(15) 0.27188(9) 0.71476(15) 0.0257(4) Uani 1 1 d . . .
H14 H 0.3679 0.3000 0.6722 0.031 Uiso 1 1 calc R . .
C30 C -0.36999(16) 0.28257(9) 0.77586(18) 0.0287(4) Uani 1 1 d . . .
H30 H -0.4181 0.2848 0.7142 0.034 Uiso 1 1 calc R . .
C11 C 0.45268(16) 0.05574(9) 0.79072(15) 0.0261(4) Uani 1 1 d . . .
H11 H 0.3873 0.0379 0.7848 0.031 Uiso 1 1 calc R . .
C40 C 0.10755(15) 0.00393(8) 1.10833(14) 0.0216(3) Uani 1 1 d . . .
H40 H 0.0980 -0.0048 1.0407 0.026 Uiso 1 1 calc R . .
C42 C 0.10454(16) -0.02553(8) 1.27186(16) 0.0271(4) Uani 1 1 d . . .
H42 H 0.0909 -0.0537 1.3160 0.032 Uiso 1 1 calc R . .
C32 C -0.33038(17) 0.29416(9) 0.95121(19) 0.0322(5) Uani 1 1 d . . .
H32 H -0.3511 0.3042 1.0094 0.039 Uiso 1 1 calc R . .
C12 C 0.34917(13) 0.19310(8) 0.80689(13) 0.0189(3) Uani 1 1 d . . .
C21 C 0.32932(18) 0.46018(12) 0.7234(2) 0.0481(7) Uani 1 1 d . . .
H21 H 0.3819 0.4841 0.7606 0.058 Uiso 1 1 calc R . .
C22 C 0.30257(18) 0.40961(11) 0.7642(2) 0.0425(6) Uani 1 1 d . . .
H22 H 0.3378 0.3990 0.8287 0.051 Uiso 1 1 calc R . .
C44 C 0.15820(18) 0.07006(8) 1.24157(15) 0.0277(4) Uani 1 1 d . . .
H44 H 0.1828 0.1067 1.2658 0.033 Uiso 1 1 calc R . .
C49 C 0.42536(15) 0.23723(9) 1.04094(16) 0.0291(4) Uani 1 1 d . . .
H49A H 0.4329 0.2399 0.9733 0.044 Uiso 1 1 calc R . .
H49B H 0.4144 0.1972 1.0567 0.044 Uiso 1 1 calc R . .
H49C H 0.4882 0.2516 1.0855 0.044 Uiso 1 1 calc R . .
C26 C -0.02943(13) 0.27829(8) 0.83052(13) 0.0187(3) Uani 1 1 d . . .
C47 C 0.35341(17) 0.31827(9) 1.11426(17) 0.0307(4) Uani 1 1 d . . .
H47 H 0.4181 0.3318 1.1514 0.037 Uiso 1 1 calc R . .


_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
Rh N2 2.0148(15) . ?
Rh N1 2.0202(14) . ?
Rh N3 2.0264(14) . ?
Rh N4 2.0273(14) . ?
Rh C45 2.0506(17) . ?
Rh Cl1 2.4290(5) . ?
N1 C4 1.372(2) . ?
N1 C1 1.374(2) . ?
N3 C23 1.371(2) . ?
N3 C26 1.372(2) . ?
N2 C15 1.368(2) . ?
N2 C12 1.371(2) . ?
C2 C3 1.357(2) . ?
C2 C1 1.440(2) . ?
C2 H2 0.9500 . ?
N4 C37 1.373(2) . ?
N4 C34 1.378(2) . ?
C3 C4 1.444(2) . ?
C3 H3 0.9500 . ?
C1 C38 1.395(2) . ?
C13 C14 1.359(3) . ?
C13 C12 1.441(2) . ?
C13 H13 0.9500 . ?
N5 C45 1.370(2) . ?
N5 C46 1.384(2) . ?
N5 C48 1.462(3) . ?
C4 C5 1.402(2) . ?
C37 C38 1.404(2) . ?
C37 C36 1.445(2) . ?
C36 C35 1.356(3) . ?
C36 H36 0.9500 . ?
C8 C9 1.388(3) . ?
C8 C7 1.390(3) . ?
C8 H8 0.9500 . ?
C34 C27 1.400(2) . ?
C34 C35 1.446(2) . ?
C25 C24 1.360(3) . ?
C25 C26 1.449(2) . ?
C25 H25 0.9500 . ?
C15 C16 1.399(3) . ?
C15 C14 1.441(3) . ?
C45 N6 1.377(2) . ?
C7 C6 1.396(3) . ?
C7 H7 0.9500 . ?
C38 C39 1.499(2) . ?
C35 H35 0.9500 . ?
C16 C23 1.395(3) . ?
C16 C17 1.495(2) . ?
C29 C30 1.393(3) . ?
C29 C28 1.399(3) . ?
C29 H29 0.9500 . ?
C23 C24 1.446(2) . ?
C46 C47 1.331(3) . ?
C46 H46 0.9500 . ?
C39 C44 1.388(3) . ?
C39 C40 1.397(2) . ?
C10 C9 1.390(3) . ?
C10 C11 1.393(3) . ?
C10 H10 0.9500 . ?
C28 C33 1.399(3) . ?
C28 C27 1.497(2) . ?
C5 C12 1.401(2) . ?
C5 C6 1.493(2) . ?
C24 H24 0.9500 . ?
C20 C21 1.378(4) . ?
C20 C19 1.388(4) . ?
C20 H20 0.9500 . ?
N6 C47 1.387(3) . ?
N6 C49 1.459(3) . ?
C33 C32 1.390(3) . ?
C33 H33 0.9500 . ?
C27 C26 1.402(2) . ?
C17 C22 1.388(3) . ?
C17 C18 1.395(3) . ?
C41 C42 1.390(3) . ?
C41 C40 1.393(3) . ?
C41 H41 0.9500 . ?
C43 C42 1.381(3) . ?
C43 C44 1.399(3) . ?
C43 H43 0.9500 . ?
C9 H9 0.9500 . ?
C6 C11 1.397(3) . ?
C18 C19 1.392(3) . ?
C18 H18 0.9500 . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C19 H19 0.9500 . ?
C31 C30 1.388(4) . ?
C31 C32 1.395(4) . ?
C31 H31 0.9500 . ?
C14 H14 0.9500 . ?
C30 H30 0.9500 . ?
C11 H11 0.9500 . ?
C40 H40 0.9500 . ?
C42 H42 0.9500 . ?
C32 H32 0.9500 . ?
C21 C22 1.395(3) . ?
C21 H21 0.9500 . ?
C22 H22 0.9500 . ?
C44 H44 0.9500 . ?
C49 H49A 0.9800 . ?
C49 H49B 0.9800 . ?
C49 H49C 0.9800 . ?
C47 H47 0.9500 . ?

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
N2 Rh N1 89.35(6) . . ?
N2 Rh N3 90.15(6) . . ?
N1 Rh N3 176.04(6) . . ?
N2 Rh N4 174.69(6) . . ?
N1 Rh N4 90.33(6) . . ?
N3 Rh N4 89.81(6) . . ?
N2 Rh C45 90.39(6) . . ?
N1 Rh C45 93.70(6) . . ?
N3 Rh C45 90.24(6) . . ?
N4 Rh C45 94.91(6) . . ?
N2 Rh Cl1 86.89(5) . . ?
N1 Rh Cl1 86.93(4) . . ?
N3 Rh Cl1 89.12(5) . . ?
N4 Rh Cl1 87.80(4) . . ?
C45 Rh Cl1 177.21(5) . . ?
C4 N1 C1 107.25(14) . . ?
C4 N1 Rh 126.68(11) . . ?
C1 N1 Rh 126.06(12) . . ?
C23 N3 C26 107.80(14) . . ?
C23 N3 Rh 125.20(12) . . ?
C26 N3 Rh 126.83(12) . . ?
C15 N2 C12 107.60(15) . . ?
C15 N2 Rh 125.51(12) . . ?
C12 N2 Rh 126.14(12) . . ?
C3 C2 C1 107.27(15) . . ?
C3 C2 H2 126.4 . . ?
C1 C2 H2 126.4 . . ?
C37 N4 C34 107.53(14) . . ?
C37 N4 Rh 125.63(11) . . ?
C34 N4 Rh 125.99(12) . . ?
C2 C3 C4 107.16(15) . . ?
C2 C3 H3 126.4 . . ?
C4 C3 H3 126.4 . . ?
N1 C1 C38 125.71(15) . . ?
N1 C1 C2 109.02(15) . . ?
C38 C1 C2 124.58(15) . . ?
C14 C13 C12 107.12(17) . . ?
C14 C13 H13 126.4 . . ?
C12 C13 H13 126.4 . . ?
C45 N5 C46 111.57(16) . . ?
C45 N5 C48 128.79(16) . . ?
C46 N5 C48 119.61(17) . . ?
N1 C4 C5 125.67(15) . . ?
N1 C4 C3 109.01(15) . . ?
C5 C4 C3 125.28(16) . . ?
N4 C37 C38 126.45(15) . . ?
N4 C37 C36 109.10(15) . . ?
C38 C37 C36 124.26(16) . . ?
C35 C36 C37 107.12(15) . . ?
C35 C36 H36 126.4 . . ?
C37 C36 H36 126.4 . . ?
C9 C8 C7 120.34(18) . . ?
C9 C8 H8 119.8 . . ?
C7 C8 H8 119.8 . . ?
N4 C34 C27 125.75(16) . . ?
N4 C34 C35 108.60(15) . . ?
C27 C34 C35 125.59(16) . . ?
C24 C25 C26 107.52(16) . . ?
C24 C25 H25 126.2 . . ?
C26 C25 H25 126.2 . . ?
N2 C15 C16 126.09(16) . . ?
N2 C15 C14 109.00(16) . . ?
C16 C15 C14 124.51(16) . . ?
N5 C45 N6 102.49(15) . . ?
N5 C45 Rh 128.62(12) . . ?
N6 C45 Rh 128.38(13) . . ?
C8 C7 C6 120.52(18) . . ?
C8 C7 H7 119.7 . . ?
C6 C7 H7 119.7 . . ?
C1 C38 C37 124.02(15) . . ?
C1 C38 C39 118.76(15) . . ?
C37 C38 C39 116.65(15) . . ?
C36 C35 C34 107.62(15) . . ?
C36 C35 H35 126.2 . . ?
C34 C35 H35 126.2 . . ?
C23 C16 C15 123.96(16) . . ?
C23 C16 C17 119.46(16) . . ?
C15 C16 C17 116.50(16) . . ?
C30 C29 C28 120.1(2) . . ?
C30 C29 H29 119.9 . . ?
C28 C29 H29 119.9 . . ?
N3 C23 C16 125.39(16) . . ?
N3 C23 C24 109.14(16) . . ?
C16 C23 C24 125.13(16) . . ?
C47 C46 N5 107.57(18) . . ?
C47 C46 H46 126.2 . . ?
N5 C46 H46 126.2 . . ?
C44 C39 C40 118.92(16) . . ?
C44 C39 C38 121.22(16) . . ?
C40 C39 C38 119.79(16) . . ?
C9 C10 C11 120.59(19) . . ?
C9 C10 H10 119.7 . . ?
C11 C10 H10 119.7 . . ?
C29 C28 C33 118.90(17) . . ?
C29 C28 C27 121.38(17) . . ?
C33 C28 C27 119.68(17) . . ?
C12 C5 C4 123.75(16) . . ?
C12 C5 C6 118.03(15) . . ?
C4 C5 C6 118.20(15) . . ?
C25 C24 C23 106.87(16) . . ?
C25 C24 H24 126.6 . . ?
C23 C24 H24 126.6 . . ?
C21 C20 C19 119.67(19) . . ?
C21 C20 H20 120.2 . . ?
C19 C20 H20 120.2 . . ?
C45 N6 C47 111.90(17) . . ?
C45 N6 C49 128.99(16) . . ?
C47 N6 C49 119.08(17) . . ?
C32 C33 C28 121.0(2) . . ?
C32 C33 H33 119.5 . . ?
C28 C33 H33 119.5 . . ?
C34 C27 C26 124.43(16) . . ?
C34 C27 C28 118.14(16) . . ?
C26 C27 C28 116.96(15) . . ?
C22 C17 C18 118.89(18) . . ?
C22 C17 C16 118.56(18) . . ?
C18 C17 C16 122.52(18) . . ?
C42 C41 C40 119.65(18) . . ?
C42 C41 H41 120.2 . . ?
C40 C41 H41 120.2 . . ?
C42 C43 C44 120.42(19) . . ?
C42 C43 H43 119.8 . . ?
C44 C43 H43 119.8 . . ?
C8 C9 C10 119.41(18) . . ?
C8 C9 H9 120.3 . . ?
C10 C9 H9 120.3 . . ?
C7 C6 C11 119.02(17) . . ?
C7 C6 C5 121.25(16) . . ?
C11 C6 C5 119.72(16) . . ?
C19 C18 C17 120.3(2) . . ?
C19 C18 H18 119.9 . . ?
C17 C18 H18 119.9 . . ?
N5 C48 H48A 109.5 . . ?
N5 C48 H48B 109.5 . . ?
H48A C48 H48B 109.5 . . ?
N5 C48 H48C 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C20 C19 C18 120.3(2) . . ?
C20 C19 H19 119.9 . . ?
C18 C19 H19 119.9 . . ?
C30 C31 C32 119.92(19) . . ?
C30 C31 H31 120.0 . . ?
C32 C31 H31 120.0 . . ?
C13 C14 C15 107.22(16) . . ?
C13 C14 H14 126.4 . . ?
C15 C14 H14 126.4 . . ?
C31 C30 C29 120.5(2) . . ?
C31 C30 H30 119.8 . . ?
C29 C30 H30 119.8 . . ?
C10 C11 C6 120.07(19) . . ?
C10 C11 H11 120.0 . . ?
C6 C11 H11 120.0 . . ?
C41 C40 C39 120.82(18) . . ?
C41 C40 H40 119.6 . . ?
C39 C40 H40 119.6 . . ?
C43 C42 C41 119.92(18) . . ?
C43 C42 H42 120.0 . . ?
C41 C42 H42 120.0 . . ?
C33 C32 C31 119.6(2) . . ?
C33 C32 H32 120.2 . . ?
C31 C32 H32 120.2 . . ?
N2 C12 C5 125.34(16) . . ?
N2 C12 C13 108.97(16) . . ?
C5 C12 C13 125.35(17) . . ?
C20 C21 C22 120.2(2) . . ?
C20 C21 H21 119.9 . . ?
C22 C21 H21 119.9 . . ?
C17 C22 C21 120.6(2) . . ?
C17 C22 H22 119.7 . . ?
C21 C22 H22 119.7 . . ?
C39 C44 C43 120.21(19) . . ?
C39 C44 H44 119.9 . . ?
C43 C44 H44 119.9 . . ?
N6 C49 H49A 109.5 . . ?
N6 C49 H49B 109.5 . . ?
H49A C49 H49B 109.5 . . ?
N6 C49 H49C 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 109.5 . . ?
N3 C26 C27 125.64(16) . . ?
N3 C26 C25 108.61(15) . . ?
C27 C26 C25 125.47(16) . . ?
C46 C47 N6 106.45(18) . . ?
C46 C47 H47 126.8 . . ?
N6 C47 H47 126.8 . . ?

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
N2 Rh N1 C4 -9.99(14) . . . . ?
N4 Rh N1 C4 164.71(14) . . . . ?
C45 Rh N1 C4 -100.34(15) . . . . ?
Cl1 Rh N1 C4 76.93(14) . . . . ?
N2 Rh N1 C1 171.65(14) . . . . ?
N4 Rh N1 C1 -13.65(14) . . . . ?
C45 Rh N1 C1 81.30(14) . . . . ?
Cl1 Rh N1 C1 -101.43(14) . . . . ?
N2 Rh N3 C23 -18.62(15) . . . . ?
N4 Rh N3 C23 166.69(15) . . . . ?
C45 Rh N3 C23 71.78(16) . . . . ?
Cl1 Rh N3 C23 -105.51(15) . . . . ?
N2 Rh N3 C26 166.70(16) . . . . ?
N4 Rh N3 C26 -8.00(16) . . . . ?
C45 Rh N3 C26 -102.91(15) . . . . ?
Cl1 Rh N3 C26 79.81(15) . . . . ?
N1 Rh N2 C15 -172.41(15) . . . . ?
N3 Rh N2 C15 11.53(15) . . . . ?
C45 Rh N2 C15 -78.71(15) . . . . ?
Cl1 Rh N2 C15 100.63(15) . . . . ?
N1 Rh N2 C12 18.78(15) . . . . ?
N3 Rh N2 C12 -157.29(15) . . . . ?
C45 Rh N2 C12 112.47(15) . . . . ?
Cl1 Rh N2 C12 -68.18(14) . . . . ?
N1 Rh N4 C37 5.70(14) . . . . ?
N3 Rh N4 C37 -178.26(14) . . . . ?
C45 Rh N4 C37 -88.04(15) . . . . ?
Cl1 Rh N4 C37 92.62(14) . . . . ?
N1 Rh N4 C34 -162.48(15) . . . . ?
N3 Rh N4 C34 13.56(15) . . . . ?
C45 Rh N4 C34 103.78(15) . . . . ?
Cl1 Rh N4 C34 -75.57(14) . . . . ?
C1 C2 C3 C4 1.3(2) . . . . ?
C4 N1 C1 C38 -165.34(17) . . . . ?
Rh N1 C1 C38 13.3(2) . . . . ?
C4 N1 C1 C2 5.51(19) . . . . ?
Rh N1 C1 C2 -175.87(11) . . . . ?
C3 C2 C1 N1 -4.3(2) . . . . ?
C3 C2 C1 C38 166.69(17) . . . . ?
C1 N1 C4 C5 177.43(17) . . . . ?
Rh N1 C4 C5 -1.2(3) . . . . ?
C1 N1 C4 C3 -4.68(19) . . . . ?
Rh N1 C4 C3 176.71(11) . . . . ?
C2 C3 C4 N1 2.0(2) . . . . ?
C2 C3 C4 C5 179.94(17) . . . . ?
C34 N4 C37 C38 173.78(17) . . . . ?
Rh N4 C37 C38 3.8(3) . . . . ?
C34 N4 C37 C36 -1.31(19) . . . . ?
Rh N4 C37 C36 -171.30(12) . . . . ?
N4 C37 C36 C35 1.9(2) . . . . ?
C38 C37 C36 C35 -173.28(17) . . . . ?
C37 N4 C34 C27 177.38(17) . . . . ?
Rh N4 C34 C27 -12.7(3) . . . . ?
C37 N4 C34 C35 0.23(19) . . . . ?
Rh N4 C34 C35 170.18(12) . . . . ?
C12 N2 C15 C16 172.69(19) . . . . ?
Rh N2 C15 C16 2.2(3) . . . . ?
C12 N2 C15 C14 -0.2(2) . . . . ?
Rh N2 C15 C14 -170.78(13) . . . . ?
C46 N5 C45 N6 1.2(2) . . . . ?
C48 N5 C45 N6 -176.8(2) . . . . ?
C46 N5 C45 Rh -171.10(14) . . . . ?
C48 N5 C45 Rh 10.9(3) . . . . ?
N2 Rh C45 N5 126.50(16) . . . . ?
N1 Rh C45 N5 -144.12(16) . . . . ?
N3 Rh C45 N5 36.35(16) . . . . ?
N4 Rh C45 N5 -53.48(16) . . . . ?
N2 Rh C45 N6 -43.87(16) . . . . ?
N1 Rh C45 N6 45.50(16) . . . . ?
N3 Rh C45 N6 -134.03(16) . . . . ?
N4 Rh C45 N6 136.15(15) . . . . ?
C9 C8 C7 C6 0.7(3) . . . . ?
N1 C1 C38 C37 -0.1(3) . . . . ?
C2 C1 C38 C37 -169.58(17) . . . . ?
N1 C1 C38 C39 170.98(16) . . . . ?
C2 C1 C38 C39 1.5(3) . . . . ?
N4 C37 C38 C1 -9.1(3) . . . . ?
C36 C37 C38 C1 165.32(17) . . . . ?
N4 C37 C38 C39 179.68(16) . . . . ?
C36 C37 C38 C39 -5.9(3) . . . . ?
C37 C36 C35 C34 -1.7(2) . . . . ?
N4 C34 C35 C36 1.0(2) . . . . ?
C27 C34 C35 C36 -176.16(18) . . . . ?
N2 C15 C16 C23 -15.2(3) . . . . ?
C14 C15 C16 C23 156.7(2) . . . . ?
N2 C15 C16 C17 167.98(18) . . . . ?
C14 C15 C16 C17 -20.1(3) . . . . ?
C26 N3 C23 C16 -171.44(18) . . . . ?
Rh N3 C23 C16 13.0(3) . . . . ?
C26 N3 C23 C24 2.1(2) . . . . ?
Rh N3 C23 C24 -173.44(12) . . . . ?
C15 C16 C23 N3 6.9(3) . . . . ?
C17 C16 C23 N3 -176.37(18) . . . . ?
C15 C16 C23 C24 -165.60(19) . . . . ?
C17 C16 C23 C24 11.1(3) . . . . ?
C45 N5 C46 C47 -1.5(3) . . . . ?
C48 N5 C46 C47 176.7(2) . . . . ?
C1 C38 C39 C44 100.1(2) . . . . ?
C37 C38 C39 C44 -88.2(2) . . . . ?
C1 C38 C39 C40 -83.0(2) . . . . ?
C37 C38 C39 C40 88.8(2) . . . . ?
C30 C29 C28 C33 -0.3(3) . . . . ?
C30 C29 C28 C27 -177.89(17) . . . . ?
N1 C4 C5 C12 9.2(3) . . . . ?
C3 C4 C5 C12 -168.32(17) . . . . ?
N1 C4 C5 C6 -172.40(16) . . . . ?
C3 C4 C5 C6 10.0(3) . . . . ?
C26 C25 C24 C23 2.2(2) . . . . ?
N3 C23 C24 C25 -2.7(2) . . . . ?
C16 C23 C24 C25 170.86(19) . . . . ?
N5 C45 N6 C47 -0.4(2) . . . . ?
Rh C45 N6 C47 171.87(14) . . . . ?
N5 C45 N6 C49 177.55(19) . . . . ?
Rh C45 N6 C49 -10.1(3) . . . . ?
C29 C28 C33 C32 0.3(3) . . . . ?
C27 C28 C33 C32 178.00(18) . . . . ?
N4 C34 C27 C26 1.0(3) . . . . ?
C35 C34 C27 C26 177.70(18) . . . . ?
N4 C34 C27 C28 -170.84(17) . . . . ?
C35 C34 C27 C28 5.8(3) . . . . ?
C29 C28 C27 C34 -126.57(19) . . . . ?
C33 C28 C27 C34 55.8(2) . . . . ?
C29 C28 C27 C26 61.0(2) . . . . ?
C33 C28 C27 C26 -116.7(2) . . . . ?
C23 C16 C17 C22 111.5(2) . . . . ?
C15 C16 C17 C22 -71.5(3) . . . . ?
C23 C16 C17 C18 -70.7(3) . . . . ?
C15 C16 C17 C18 106.2(2) . . . . ?
C7 C8 C9 C10 -1.6(3) . . . . ?
C11 C10 C9 C8 0.5(3) . . . . ?
C8 C7 C6 C11 1.3(3) . . . . ?
C8 C7 C6 C5 -177.11(17) . . . . ?
C12 C5 C6 C7 62.6(2) . . . . ?
C4 C5 C6 C7 -115.83(19) . . . . ?
C12 C5 C6 C11 -115.8(2) . . . . ?
C4 C5 C6 C11 65.8(2) . . . . ?
C22 C17 C18 C19 -1.8(3) . . . . ?
C16 C17 C18 C19 -179.52(19) . . . . ?
C21 C20 C19 C18 0.9(3) . . . . ?
C17 C18 C19 C20 0.3(3) . . . . ?
C12 C13 C14 C15 -3.0(2) . . . . ?
N2 C15 C14 C13 2.1(2) . . . . ?
C16 C15 C14 C13 -170.95(19) . . . . ?
C32 C31 C30 C29 -0.2(3) . . . . ?
C28 C29 C30 C31 0.2(3) . . . . ?
C9 C10 C11 C6 1.6(3) . . . . ?
C7 C6 C11 C10 -2.5(3) . . . . ?
C5 C6 C11 C10 175.98(18) . . . . ?
C42 C41 C40 C39 -1.3(3) . . . . ?
C44 C39 C40 C41 2.7(3) . . . . ?
C38 C39 C40 C41 -174.27(17) . . . . ?
C44 C43 C42 C41 1.4(3) . . . . ?
C40 C41 C42 C43 -0.8(3) . . . . ?
C28 C33 C32 C31 -0.3(3) . . . . ?
C30 C31 C32 C33 0.3(3) . . . . ?
C15 N2 C12 C5 171.88(18) . . . . ?
Rh N2 C12 C5 -17.7(3) . . . . ?
C15 N2 C12 C13 -1.6(2) . . . . ?
Rh N2 C12 C13 168.83(13) . . . . ?
C4 C5 C12 N2 0.7(3) . . . . ?
C6 C5 C12 N2 -177.62(17) . . . . ?
C4 C5 C12 C13 173.21(18) . . . . ?
C6 C5 C12 C13 -5.2(3) . . . . ?
C14 C13 C12 N2 3.0(2) . . . . ?
C14 C13 C12 C5 -170.53(19) . . . . ?
C19 C20 C21 C22 -0.6(4) . . . . ?
C18 C17 C22 C21 2.1(4) . . . . ?
C16 C17 C22 C21 179.9(2) . . . . ?
C20 C21 C22 C17 -1.0(5) . . . . ?
C40 C39 C44 C43 -2.1(3) . . . . ?
C38 C39 C44 C43 174.85(19) . . . . ?
C42 C43 C44 C39 0.1(4) . . . . ?
C23 N3 C26 C27 -174.83(18) . . . . ?
Rh N3 C26 C27 0.6(3) . . . . ?
C23 N3 C26 C25 -0.8(2) . . . . ?
Rh N3 C26 C25 174.69(12) . . . . ?
C34 C27 C26 N3 5.4(3) . . . . ?
C28 C27 C26 N3 177.40(17) . . . . ?
C34 C27 C26 C25 -167.67(18) . . . . ?
C28 C27 C26 C25 4.3(3) . . . . ?
C24 C25 C26 N3 -1.0(2) . . . . ?
C24 C25 C26 C27 173.14(18) . . . . ?
N5 C46 C47 N6 1.2(3) . . . . ?
C45 N6 C47 C46 -0.5(3) . . . . ?
C49 N6 C47 C46 -178.7(2) . . . . ?

_diffrn_measured_fraction_theta_max 0.948
_diffrn_reflns_theta_full        30.00
_diffrn_measured_fraction_theta_full 0.990
_refine_diff_density_max         2.453
_refine_diff_density_min         -1.175
_refine_diff_density_rms         0.093

# SQUEEZE RESULTS (APPEND TO CIF) 
# Note: Data are Listed for all Voids in the P1 Unit Cell 
# i.e. Centre of Gravity, Solvent Accessible Volume, 
# Recovered number of Electrons in the Void and 
# Details about the Squeezed Material 
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 -0.031 0.500 0.000 358 90 '2 (C H2 Cl2)'
2 -0.013 0.000 0.500 358 90 '2 (C H2 Cl2)'
_platon_squeeze_details          
; 
 PLATON: A.L. Spek, J. Appl. Cryst. 36 (2003), 7-13 
 PLATON version from 27.07.2012 
;
_database_code_depnum_ccdc_archive 'CCDC 958621'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_alb203(1)

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C48 H34 Cl N6 Rh, 0.75 (C H2 Cl2)'
_chemical_formula_sum            'C48.75 H35.50 Cl2.50 N6 Rh'
_chemical_formula_weight         896.87
_chemical_absolute_configuration ad

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'
Cl Cl 0.1484 0.1585 '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'

_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'P 21 21 21'
_symmetry_space_group_name_Hall  'P 2ac 2ab'

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

_cell_length_a                   9.6618(1)
_cell_length_b                   17.3989(2)
_cell_length_c                   25.1987(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     4236.02(8)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    26269
_cell_measurement_theta_min      3.4160
_cell_measurement_theta_max      29.3820

_exptl_crystal_description       block
_exptl_crystal_colour            black
_exptl_crystal_size_max          0.1818
_exptl_crystal_size_mid          0.1708
_exptl_crystal_size_min          0.1033
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.406
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1830
_exptl_absorpt_coefficient_mu    0.603
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_correction_T_min  0.909
_exptl_absorpt_correction_T_max  0.949
_exptl_absorpt_process_details   
; 
CrysAlisPro, Agilent Technologies, 
Version 1.171.36.24a (release 19-12-2012 CrysAlis171 .NET) 
(compiled Dec 19 2012,11:08:27) 
Analytical numeric absorption correction using a multifaceted crystal 
model based on expressions derived by R.C. Clark & J.S. Reid. 
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897) 
;

_exptl_special_details           
; 
 4493 Friedel pairs were measured. 
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'SuperNova (Mo) X-ray Source'
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.3196
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            43286
_diffrn_reflns_av_R_equivalents  0.0308
_diffrn_reflns_av_sigmaI/netI    0.0281
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_theta_min         2.85
_diffrn_reflns_theta_max         29.53
_reflns_number_total             10592
_reflns_number_gt                10035
_reflns_threshold_expression     I>2σ(I)

_computing_data_collection       
; 
CrysAlisPro, Agilent Technologies, 
Version 1.171.36.24a (release 19-12-2012 CrysAlis171 .NET) 
(compiled Dec 19 2012,11:08:27) 
;
_computing_cell_refinement       
; 
CrysAlisPro, Agilent Technologies, 
Version 1.171.36.24a (release 19-12-2012 CrysAlis171 .NET) 
(compiled Dec 19 2012,11:08:27) 
;
_computing_data_reduction        
; 
CrysAlisPro, Agilent Technologies, 
Version 1.171.36.24a (release 19-12-2012 CrysAlis171 .NET) 
(compiled Dec 19 2012,11:08:27) 
;
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² 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/[σ²(Fo²)+(0.0312P)²+5.3806P] where P=(Fo²+2Fc²)/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   0.056(19)
_refine_ls_number_reflns         10592
_refine_ls_number_parameters     534
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0363
_refine_ls_R_factor_gt           0.0323
_refine_ls_wR_factor_ref         0.0829
_refine_ls_wR_factor_gt          0.0801
_refine_ls_goodness_of_fit_ref   1.077
_refine_ls_restrained_S_all      1.077
_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
Rh Rh 0.70676(2) 0.412943(11) 0.828443(7) 0.01332(5) Uani 1 1 d . . .
Cl1 Cl 0.94289(6) 0.41691(4) 0.84706(2) 0.01991(12) Uani 1 1 d . . .
N1 N 0.7152(2) 0.29614(11) 0.82512(9) 0.0152(4) Uani 1 1 d . . .
C1 C 0.7407(3) 0.25211(15) 0.78077(11) 0.0169(6) Uani 1 1 d . . .
C2 C 0.7339(3) 0.17193(16) 0.79497(12) 0.0194(6) Uani 1 1 d . . .
H2 H 0.7449 0.1296 0.7716 0.023 Uiso 1 1 calc R . .
C3 C 0.7091(3) 0.16802(14) 0.84742(11) 0.0189(5) Uani 1 1 d . . .
H3 H 0.7005 0.1224 0.8679 0.023 Uiso 1 1 calc R . .
C4 C 0.6980(3) 0.24608(15) 0.86702(10) 0.0167(5) Uani 1 1 d . . .
C5 C 0.7717(3) 0.27995(15) 0.73021(11) 0.0168(5) Uani 1 1 d . . .
C6 C 0.8033(3) 0.22130(14) 0.68840(10) 0.0191(5) Uani 1 1 d . . .
C7 C 0.7038(4) 0.20108(17) 0.65131(12) 0.0260(6) Uani 1 1 d . . .
H7 H 0.6168 0.2265 0.6512 0.031 Uiso 1 1 calc R . .
C8 C 0.7309(4) 0.14361(18) 0.61410(13) 0.0328(8) Uani 1 1 d . . .
H8 H 0.6621 0.1296 0.5890 0.039 Uiso 1 1 calc R . .
C9 C 0.8564(4) 0.10750(16) 0.61378(13) 0.0314(8) Uani 1 1 d . . .
H9 H 0.8746 0.0688 0.5881 0.038 Uiso 1 1 calc R . .
C10 C 0.9577(4) 0.12675(17) 0.65058(13) 0.0275(7) Uani 1 1 d . . .
H10 H 1.0445 0.1011 0.6503 0.033 Uiso 1 1 calc R . .
C11 C 0.9311(3) 0.18366(17) 0.68762(11) 0.0222(6) Uani 1 1 d . . .
H11 H 1.0003 0.1972 0.7127 0.027 Uiso 1 1 calc R . .
C12 C 0.7780(3) 0.35778(15) 0.71645(10) 0.0178(5) Uani 1 1 d . . .
N2 N 0.7503(2) 0.41861(13) 0.74937(8) 0.0150(4) Uani 1 1 d . . .
C13 C 0.8141(3) 0.38641(16) 0.66480(11) 0.0246(6) Uani 1 1 d . . .
H13 H 0.8384 0.3563 0.6347 0.030 Uiso 1 1 calc R . .
C14 C 0.8072(3) 0.46375(16) 0.66676(11) 0.0235(6) Uani 1 1 d . . .
H14 H 0.8255 0.4982 0.6384 0.028 Uiso 1 1 calc R . .
C15 C 0.7669(3) 0.48439(16) 0.72012(11) 0.0176(6) Uani 1 1 d . . .
C16 C 0.7448(3) 0.55924(16) 0.73774(11) 0.0177(5) Uani 1 1 d . . .
C17 C 0.7666(3) 0.62379(15) 0.69888(11) 0.0177(6) Uani 1 1 d . . .
C18 C 0.6543(3) 0.66521(17) 0.67893(12) 0.0225(6) Uani 1 1 d . . .
H18 H 0.5628 0.6517 0.6891 0.027 Uiso 1 1 calc R . .
C19 C 0.6760(3) 0.72641(18) 0.64412(12) 0.0263(7) Uani 1 1 d . . .
H19 H 0.5991 0.7538 0.6302 0.032 Uiso 1 1 calc R . .
C20 C 0.8079(4) 0.74722(16) 0.62986(11) 0.0254(6) Uani 1 1 d . . .
H20 H 0.8219 0.7897 0.6068 0.030 Uiso 1 1 calc R . .
C21 C 0.9205(3) 0.70648(18) 0.64896(12) 0.0246(6) Uani 1 1 d . . .
H21 H 1.0116 0.7206 0.6387 0.030 Uiso 1 1 calc R . .
C22 C 0.8995(3) 0.64433(16) 0.68348(11) 0.0201(6) Uani 1 1 d . . .
H22 H 0.9766 0.6161 0.6964 0.024 Uiso 1 1 calc R . .
C23 C 0.7075(3) 0.57897(15) 0.78955(10) 0.0169(5) Uani 1 1 d . . .
N3 N 0.6961(2) 0.52947(11) 0.83181(9) 0.0149(4) Uani 1 1 d . . .
C24 C 0.6821(3) 0.65630(15) 0.80749(11) 0.0206(6) Uani 1 1 d . . .
H24 H 0.6822 0.7013 0.7862 0.025 Uiso 1 1 calc R . .
C25 C 0.6579(3) 0.65292(16) 0.86039(12) 0.0218(6) Uani 1 1 d . . .
H25 H 0.6382 0.6951 0.8831 0.026 Uiso 1 1 calc R . .
C26 C 0.6678(3) 0.57300(14) 0.87583(11) 0.0161(5) Uani 1 1 d . . .
C27 C 0.6523(3) 0.54546(16) 0.92758(11) 0.0178(5) Uani 1 1 d . . .
C28 C 0.6241(3) 0.60354(15) 0.97053(10) 0.0188(6) Uani 1 1 d . . .
C29 C 0.5011(3) 0.60119(16) 0.99917(11) 0.0208(6) Uani 1 1 d . . .
H29 H 0.4361 0.5613 0.9927 0.025 Uiso 1 1 calc R . .
C30 C 0.4726(3) 0.65724(18) 1.03742(12) 0.0262(6) Uani 1 1 d . . .
H30 H 0.3882 0.6555 1.0567 0.031 Uiso 1 1 calc R . .
C31 C 0.5666(4) 0.71488(18) 1.04718(12) 0.0287(7) Uani 1 1 d . . .
H31 H 0.5466 0.7534 1.0728 0.034 Uiso 1 1 calc R . .
C32 C 0.6901(4) 0.71667(17) 1.01965(12) 0.0318(8) Uani 1 1 d . . .
H32 H 0.7552 0.7563 1.0267 0.038 Uiso 1 1 calc R . .
C33 C 0.7203(4) 0.66082(17) 0.98163(12) 0.0274(6) Uani 1 1 d . . .
H33 H 0.8063 0.6619 0.9634 0.033 Uiso 1 1 calc R . .
C34 C 0.6571(3) 0.46839(16) 0.94207(11) 0.0162(5) Uani 1 1 d . . .
N4 N 0.6685(2) 0.40704(13) 0.90785(8) 0.0161(4) Uani 1 1 d . . .
C35 C 0.6525(3) 0.43996(17) 0.99609(11) 0.0202(6) Uani 1 1 d . . .
H35 H 0.6457 0.4703 1.0273 0.024 Uiso 1 1 calc R . .
C36 C 0.6598(3) 0.36246(17) 0.99399(11) 0.0201(6) Uani 1 1 d . . .
H36 H 0.6588 0.3282 1.0233 0.024 Uiso 1 1 calc R . .
C37 C 0.6694(3) 0.34161(16) 0.93839(11) 0.0177(6) Uani 1 1 d . . .
C38 C 0.6792(3) 0.26622(15) 0.91990(11) 0.0177(6) Uani 1 1 d . . .
C39 C 0.6726(3) 0.20266(15) 0.96002(11) 0.0186(6) Uani 1 1 d . . .
C40 C 0.5458(3) 0.17947(18) 0.98102(12) 0.0243(6) Uani 1 1 d . . .
H40 H 0.4626 0.2026 0.9688 0.029 Uiso 1 1 calc R . .
C41 C 0.5404(3) 0.12262(18) 1.01978(13) 0.0277(7) Uani 1 1 d . . .
H41 H 0.4537 0.1068 1.0338 0.033 Uiso 1 1 calc R . .
C42 C 0.6618(3) 0.08898(18) 1.03799(11) 0.0250(6) Uani 1 1 d . . .
H42 H 0.6582 0.0507 1.0649 0.030 Uiso 1 1 calc R . .
C43 C 0.7877(4) 0.11095(17) 1.01717(12) 0.0285(6) Uani 1 1 d . . .
H43 H 0.8707 0.0877 1.0294 0.034 Uiso 1 1 calc R . .
C44 C 0.7924(4) 0.16793(16) 0.97773(12) 0.0253(6) Uani 1 1 d . . .
H44 H 0.8790 0.1827 0.9631 0.030 Uiso 1 1 calc R . .
N5 N 0.4984(2) 0.41208(14) 0.81157(8) 0.0161(4) Uani 1 1 d . . .
C45 C 0.4340(3) 0.37112(17) 0.77550(12) 0.0235(6) Uani 1 1 d . . .
H45 H 0.4764 0.3333 0.7537 0.028 Uiso 1 1 calc R . .
N6 N 0.2984(3) 0.39056(13) 0.77395(10) 0.0237(5) Uani 1 1 d . . .
C48 C 0.1903(4) 0.3545(2) 0.74188(15) 0.0373(8) Uani 1 1 d . . .
H48A H 0.1619 0.3061 0.7584 0.056 Uiso 1 1 calc R . .
H48B H 0.2260 0.3443 0.7062 0.056 Uiso 1 1 calc R . .
H48C H 0.1104 0.3891 0.7395 0.056 Uiso 1 1 calc R . .
C46 C 0.4028(3) 0.46055(18) 0.83369(14) 0.0289(7) Uani 1 1 d . . .
H46 H 0.4208 0.4972 0.8608 0.035 Uiso 1 1 calc R . .
C47 C 0.2782(3) 0.44763(18) 0.81052(12) 0.0271(6) Uani 1 1 d . . .
H47 H 0.1936 0.4732 0.8182 0.032 Uiso 1 1 calc R . .
C49 C 0.5098(9) 0.9559(5) 0.9184(3) 0.080(3) Uani 0.753(4) 1 d P . .
H49A H 0.5361 1.0035 0.9374 0.096 Uiso 0.753(4) 1 calc PR . .
H49B H 0.4075 0.9535 0.9174 0.096 Uiso 0.753(4) 1 calc PR . .
Cl2 Cl 0.5734(2) 0.96103(10) 0.85234(7) 0.0677(6) Uani 0.753(4) 1 d P . .
Cl3 Cl 0.5707(2) 0.87853(15) 0.95307(9) 0.0932(9) Uani 0.753(4) 1 d P . .


_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
Rh N3 2.032(2) . ?
Rh N1 2.036(2) . ?
Rh N4 2.037(2) . ?
Rh N2 2.039(2) . ?
Rh N5 2.058(2) . ?
Rh Cl1 2.3302(6) . ?
N1 C1 1.377(3) . ?
N1 C4 1.379(3) . ?
C1 C5 1.396(4) . ?
C1 C2 1.442(4) . ?
C2 C3 1.345(4) . ?
C2 H2 0.9500 . ?
C3 C4 1.449(4) . ?
C3 H3 0.9500 . ?
C4 C38 1.390(4) . ?
C5 C12 1.399(4) . ?
C5 C6 1.498(4) . ?
C6 C7 1.386(4) . ?
C6 C11 1.398(4) . ?
C7 C8 1.396(4) . ?
C7 H7 0.9500 . ?
C8 C9 1.365(5) . ?
C8 H8 0.9500 . ?
C9 C10 1.389(5) . ?
C9 H9 0.9500 . ?
C10 C11 1.385(4) . ?
C10 H10 0.9500 . ?
C11 H11 0.9500 . ?
C12 N2 1.371(3) . ?
C12 C13 1.437(4) . ?
N2 C15 1.371(3) . ?
C13 C14 1.348(4) . ?
C13 H13 0.9500 . ?
C14 C15 1.445(4) . ?
C14 H14 0.9500 . ?
C15 C16 1.392(4) . ?
C16 C23 1.397(4) . ?
C16 C17 1.505(4) . ?
C17 C22 1.388(4) . ?
C17 C18 1.396(4) . ?
C18 C19 1.395(4) . ?
C18 H18 0.9500 . ?
C19 C20 1.372(5) . ?
C19 H19 0.9500 . ?
C20 C21 1.385(4) . ?
C20 H20 0.9500 . ?
C21 C22 1.403(4) . ?
C21 H21 0.9500 . ?
C22 H22 0.9500 . ?
C23 N3 1.374(3) . ?
C23 C24 1.441(4) . ?
N3 C26 1.371(3) . ?
C24 C25 1.355(4) . ?
C24 H24 0.9500 . ?
C25 C26 1.447(4) . ?
C25 H25 0.9500 . ?
C26 C27 1.397(4) . ?
C27 C34 1.390(4) . ?
C27 C28 1.506(4) . ?
C28 C33 1.391(4) . ?
C28 C29 1.391(4) . ?
C29 C30 1.398(4) . ?
C29 H29 0.9500 . ?
C30 C31 1.375(5) . ?
C30 H30 0.9500 . ?
C31 C32 1.381(5) . ?
C31 H31 0.9500 . ?
C32 C33 1.395(4) . ?
C32 H32 0.9500 . ?
C33 H33 0.9500 . ?
C34 N4 1.377(3) . ?
C34 C35 1.449(4) . ?
N4 C37 1.374(3) . ?
C35 C36 1.351(4) . ?
C35 H35 0.9500 . ?
C36 C37 1.450(4) . ?
C36 H36 0.9500 . ?
C37 C38 1.395(4) . ?
C38 C39 1.500(4) . ?
C39 C44 1.380(4) . ?
C39 C40 1.395(4) . ?
C40 C41 1.391(4) . ?
C40 H40 0.9500 . ?
C41 C42 1.389(5) . ?
C41 H41 0.9500 . ?
C42 C43 1.378(5) . ?
C42 H42 0.9500 . ?
C43 C44 1.405(4) . ?
C43 H43 0.9500 . ?
C44 H44 0.9500 . ?
N5 C45 1.312(4) . ?
N5 C46 1.369(4) . ?
C45 N6 1.353(4) . ?
C45 H45 0.9500 . ?
N6 C47 1.369(4) . ?
N6 C48 1.462(4) . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C46 C47 1.357(4) . ?
C46 H46 0.9500 . ?
C47 H47 0.9500 . ?
C49 Cl3 1.709(8) . ?
C49 Cl2 1.776(8) . ?
C49 H49A 0.9900 . ?
C49 H49B 0.9900 . ?

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
N3 Rh N1 179.39(9) . . ?
N3 Rh N4 90.00(9) . . ?
N1 Rh N4 89.85(9) . . ?
N3 Rh N2 90.18(9) . . ?
N1 Rh N2 89.99(9) . . ?
N4 Rh N2 178.55(9) . . ?
N3 Rh N5 88.07(9) . . ?
N1 Rh N5 91.35(9) . . ?
N4 Rh N5 91.44(8) . . ?
N2 Rh N5 90.01(8) . . ?
N3 Rh Cl1 90.67(7) . . ?
N1 Rh Cl1 89.91(7) . . ?
N4 Rh Cl1 88.93(6) . . ?
N2 Rh Cl1 89.63(6) . . ?
N5 Rh Cl1 178.68(7) . . ?
C1 N1 C4 107.0(2) . . ?
C1 N1 Rh 126.58(18) . . ?
C4 N1 Rh 126.46(18) . . ?
N1 C1 C5 125.9(2) . . ?
N1 C1 C2 109.2(2) . . ?
C5 C1 C2 124.9(3) . . ?
C3 C2 C1 107.5(3) . . ?
C3 C2 H2 126.2 . . ?
C1 C2 H2 126.2 . . ?
C2 C3 C4 107.5(2) . . ?
C2 C3 H3 126.2 . . ?
C4 C3 H3 126.2 . . ?
N1 C4 C38 126.2(2) . . ?
N1 C4 C3 108.8(2) . . ?
C38 C4 C3 124.9(2) . . ?
C1 C5 C12 124.8(2) . . ?
C1 C5 C6 116.7(2) . . ?
C12 C5 C6 118.4(2) . . ?
C7 C6 C11 119.0(3) . . ?
C7 C6 C5 120.4(3) . . ?
C11 C6 C5 120.6(3) . . ?
C6 C7 C8 120.3(3) . . ?
C6 C7 H7 119.8 . . ?
C8 C7 H7 119.8 . . ?
C9 C8 C7 120.0(3) . . ?
C9 C8 H8 120.0 . . ?
C7 C8 H8 120.0 . . ?
C8 C9 C10 120.7(3) . . ?
C8 C9 H9 119.6 . . ?
C10 C9 H9 119.6 . . ?
C11 C10 C9 119.4(3) . . ?
C11 C10 H10 120.3 . . ?
C9 C10 H10 120.3 . . ?
C10 C11 C6 120.6(3) . . ?
C10 C11 H11 119.7 . . ?
C6 C11 H11 119.7 . . ?
N2 C12 C5 126.1(2) . . ?
N2 C12 C13 109.1(2) . . ?
C5 C12 C13 124.8(2) . . ?
C15 N2 C12 107.2(2) . . ?
C15 N2 Rh 126.17(18) . . ?
C12 N2 Rh 126.46(18) . . ?
C14 C13 C12 107.5(3) . . ?
C14 C13 H13 126.2 . . ?
C12 C13 H13 126.2 . . ?
C13 C14 C15 107.2(3) . . ?
C13 C14 H14 126.4 . . ?
C15 C14 H14 126.4 . . ?
N2 C15 C16 126.2(2) . . ?
N2 C15 C14 108.9(2) . . ?
C16 C15 C14 124.8(3) . . ?
C15 C16 C23 124.6(3) . . ?
C15 C16 C17 118.0(2) . . ?
C23 C16 C17 117.4(2) . . ?
C22 C17 C18 119.0(2) . . ?
C22 C17 C16 120.2(2) . . ?
C18 C17 C16 120.7(3) . . ?
C19 C18 C17 120.2(3) . . ?
C19 C18 H18 119.9 . . ?
C17 C18 H18 119.9 . . ?
C20 C19 C18 120.4(3) . . ?
C20 C19 H19 119.8 . . ?
C18 C19 H19 119.8 . . ?
C19 C20 C21 120.2(3) . . ?
C19 C20 H20 119.9 . . ?
C21 C20 H20 119.9 . . ?
C20 C21 C22 119.8(3) . . ?
C20 C21 H21 120.1 . . ?
C22 C21 H21 120.1 . . ?
C17 C22 C21 120.4(3) . . ?
C17 C22 H22 119.8 . . ?
C21 C22 H22 119.8 . . ?
N3 C23 C16 126.2(2) . . ?
N3 C23 C24 109.2(2) . . ?
C16 C23 C24 124.5(2) . . ?
C26 N3 C23 107.3(2) . . ?
C26 N3 Rh 126.54(17) . . ?
C23 N3 Rh 126.08(17) . . ?
C25 C24 C23 107.3(2) . . ?
C25 C24 H24 126.3 . . ?
C23 C24 H24 126.3 . . ?
C24 C25 C26 107.2(3) . . ?
C24 C25 H25 126.4 . . ?
C26 C25 H25 126.4 . . ?
N3 C26 C27 125.9(2) . . ?
N3 C26 C25 109.1(2) . . ?
C27 C26 C25 125.0(3) . . ?
C34 C27 C26 124.9(3) . . ?
C34 C27 C28 117.7(2) . . ?
C26 C27 C28 117.4(2) . . ?
C33 C28 C29 119.2(3) . . ?
C33 C28 C27 120.3(3) . . ?
C29 C28 C27 120.5(3) . . ?
C28 C29 C30 120.3(3) . . ?
C28 C29 H29 119.8 . . ?
C30 C29 H29 119.8 . . ?
C31 C30 C29 120.1(3) . . ?
C31 C30 H30 119.9 . . ?
C29 C30 H30 119.9 . . ?
C30 C31 C32 119.8(3) . . ?
C30 C31 H31 120.1 . . ?
C32 C31 H31 120.1 . . ?
C31 C32 C33 120.7(3) . . ?
C31 C32 H32 119.7 . . ?
C33 C32 H32 119.7 . . ?
C28 C33 C32 119.8(3) . . ?
C28 C33 H33 120.1 . . ?
C32 C33 H33 120.1 . . ?
N4 C34 C27 125.9(2) . . ?
N4 C34 C35 109.0(2) . . ?
C27 C34 C35 125.1(3) . . ?
C37 N4 C34 107.0(2) . . ?
C37 N4 Rh 126.21(18) . . ?
C34 N4 Rh 126.20(18) . . ?
C36 C35 C34 107.6(3) . . ?
C36 C35 H35 126.2 . . ?
C34 C35 H35 126.2 . . ?
C35 C36 C37 106.9(3) . . ?
C35 C36 H36 126.5 . . ?
C37 C36 H36 126.5 . . ?
N4 C37 C38 126.3(3) . . ?
N4 C37 C36 109.5(2) . . ?
C38 C37 C36 124.2(3) . . ?
C4 C38 C37 124.5(2) . . ?
C4 C38 C39 117.8(2) . . ?
C37 C38 C39 117.7(2) . . ?
C44 C39 C40 119.2(3) . . ?
C44 C39 C38 120.3(3) . . ?
C40 C39 C38 120.4(3) . . ?
C41 C40 C39 120.3(3) . . ?
C41 C40 H40 119.8 . . ?
C39 C40 H40 119.8 . . ?
C42 C41 C40 120.0(3) . . ?
C42 C41 H41 120.0 . . ?
C40 C41 H41 120.0 . . ?
C43 C42 C41 120.2(3) . . ?
C43 C42 H42 119.9 . . ?
C41 C42 H42 119.9 . . ?
C42 C43 C44 119.6(3) . . ?
C42 C43 H43 120.2 . . ?
C44 C43 H43 120.2 . . ?
C39 C44 C43 120.7(3) . . ?
C39 C44 H44 119.7 . . ?
C43 C44 H44 119.7 . . ?
C45 N5 C46 107.3(2) . . ?
C45 N5 Rh 127.65(19) . . ?
C46 N5 Rh 124.83(19) . . ?
N5 C45 N6 110.1(3) . . ?
N5 C45 H45 125.0 . . ?
N6 C45 H45 125.0 . . ?
C45 N6 C47 107.5(3) . . ?
C45 N6 C48 126.9(3) . . ?
C47 N6 C48 125.5(3) . . ?
N6 C48 H48A 109.5 . . ?
N6 C48 H48B 109.5 . . ?
H48A C48 H48B 109.5 . . ?
N6 C48 H48C 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C47 C46 N5 108.7(3) . . ?
C47 C46 H46 125.6 . . ?
N5 C46 H46 125.6 . . ?
C46 C47 N6 106.4(3) . . ?
C46 C47 H47 126.8 . . ?
N6 C47 H47 126.8 . . ?
Cl3 C49 Cl2 113.5(4) . . ?
Cl3 C49 H49A 108.9 . . ?
Cl2 C49 H49A 108.9 . . ?
Cl3 C49 H49B 108.9 . . ?
Cl2 C49 H49B 108.9 . . ?
H49A C49 H49B 107.7 . . ?

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
N4 Rh N1 C1 -179.3(2) . . . . ?
N2 Rh N1 C1 -0.8(2) . . . . ?
N5 Rh N1 C1 89.2(2) . . . . ?
Cl1 Rh N1 C1 -90.4(2) . . . . ?
N4 Rh N1 C4 -0.1(2) . . . . ?
N2 Rh N1 C4 178.5(2) . . . . ?
N5 Rh N1 C4 -91.5(2) . . . . ?
Cl1 Rh N1 C4 88.8(2) . . . . ?
C4 N1 C1 C5 -176.3(3) . . . . ?
Rh N1 C1 C5 3.1(4) . . . . ?
C4 N1 C1 C2 2.3(3) . . . . ?
Rh N1 C1 C2 -178.37(18) . . . . ?
N1 C1 C2 C3 -1.9(3) . . . . ?
C5 C1 C2 C3 176.7(3) . . . . ?
C1 C2 C3 C4 0.8(3) . . . . ?
C1 N1 C4 C38 175.5(3) . . . . ?
Rh N1 C4 C38 -3.8(4) . . . . ?
C1 N1 C4 C3 -1.8(3) . . . . ?
Rh N1 C4 C3 178.85(19) . . . . ?
C2 C3 C4 N1 0.6(4) . . . . ?
C2 C3 C4 C38 -176.7(3) . . . . ?
N1 C1 C5 C12 -1.8(5) . . . . ?
C2 C1 C5 C12 179.8(3) . . . . ?
N1 C1 C5 C6 176.8(3) . . . . ?
C2 C1 C5 C6 -1.6(4) . . . . ?
C1 C5 C6 C7 101.4(3) . . . . ?
C12 C5 C6 C7 -79.9(4) . . . . ?
C1 C5 C6 C11 -75.8(4) . . . . ?
C12 C5 C6 C11 102.9(3) . . . . ?
C11 C6 C7 C8 0.5(4) . . . . ?
C5 C6 C7 C8 -176.7(3) . . . . ?
C6 C7 C8 C9 -0.6(5) . . . . ?
C7 C8 C9 C10 0.7(5) . . . . ?
C8 C9 C10 C11 -0.6(5) . . . . ?
C9 C10 C11 C6 0.4(5) . . . . ?
C7 C6 C11 C10 -0.4(4) . . . . ?
C5 C6 C11 C10 176.8(3) . . . . ?
C1 C5 C12 N2 -2.5(5) . . . . ?
C6 C5 C12 N2 178.9(3) . . . . ?
C1 C5 C12 C13 177.9(3) . . . . ?
C6 C5 C12 C13 -0.6(4) . . . . ?
C5 C12 N2 C15 -179.3(3) . . . . ?
C13 C12 N2 C15 0.4(3) . . . . ?
C5 C12 N2 Rh 4.9(4) . . . . ?
C13 C12 N2 Rh -175.42(19) . . . . ?
N3 Rh N2 C15 2.6(2) . . . . ?
N1 Rh N2 C15 -178.0(2) . . . . ?
N5 Rh N2 C15 90.7(2) . . . . ?
Cl1 Rh N2 C15 -88.1(2) . . . . ?
N3 Rh N2 C12 177.6(2) . . . . ?
N1 Rh N2 C12 -2.9(2) . . . . ?
N5 Rh N2 C12 -94.3(2) . . . . ?
Cl1 Rh N2 C12 87.0(2) . . . . ?
N2 C12 C13 C14 -0.4(4) . . . . ?
C5 C12 C13 C14 179.3(3) . . . . ?
C12 C13 C14 C15 0.2(4) . . . . ?
C12 N2 C15 C16 177.9(3) . . . . ?
Rh N2 C15 C16 -6.3(4) . . . . ?
C12 N2 C15 C14 -0.3(3) . . . . ?
Rh N2 C15 C14 175.56(18) . . . . ?
C13 C14 C15 N2 0.0(3) . . . . ?
C13 C14 C15 C16 -178.1(3) . . . . ?
N2 C15 C16 C23 3.1(5) . . . . ?
C14 C15 C16 C23 -179.1(3) . . . . ?
N2 C15 C16 C17 -178.9(3) . . . . ?
C14 C15 C16 C17 -1.1(4) . . . . ?
C15 C16 C17 C22 -72.7(4) . . . . ?
C23 C16 C17 C22 105.4(3) . . . . ?
C15 C16 C17 C18 109.1(3) . . . . ?
C23 C16 C17 C18 -72.8(4) . . . . ?
C22 C17 C18 C19 -0.1(4) . . . . ?
C16 C17 C18 C19 178.1(3) . . . . ?
C17 C18 C19 C20 -1.0(5) . . . . ?
C18 C19 C20 C21 1.5(5) . . . . ?
C19 C20 C21 C22 -0.7(5) . . . . ?
C18 C17 C22 C21 0.9(4) . . . . ?
C16 C17 C22 C21 -177.4(3) . . . . ?
C20 C21 C22 C17 -0.4(5) . . . . ?
C15 C16 C23 N3 4.7(5) . . . . ?
C17 C16 C23 N3 -173.3(3) . . . . ?
C15 C16 C23 C24 -178.8(3) . . . . ?
C17 C16 C23 C24 3.2(4) . . . . ?
C16 C23 N3 C26 175.5(3) . . . . ?
C24 C23 N3 C26 -1.5(3) . . . . ?
C16 C23 N3 Rh -8.1(4) . . . . ?
C24 C23 N3 Rh 174.91(19) . . . . ?
N4 Rh N3 C26 -1.7(2) . . . . ?
N2 Rh N3 C26 179.7(2) . . . . ?
N5 Rh N3 C26 89.7(2) . . . . ?
Cl1 Rh N3 C26 -90.6(2) . . . . ?
N4 Rh N3 C23 -177.4(2) . . . . ?
N2 Rh N3 C23 4.0(2) . . . . ?
N5 Rh N3 C23 -86.0(2) . . . . ?
Cl1 Rh N3 C23 93.7(2) . . . . ?
N3 C23 C24 C25 1.0(4) . . . . ?
C16 C23 C24 C25 -176.0(3) . . . . ?
C23 C24 C25 C26 -0.2(4) . . . . ?
C23 N3 C26 C27 -178.0(3) . . . . ?
Rh N3 C26 C27 5.7(4) . . . . ?
C23 N3 C26 C25 1.3(3) . . . . ?
Rh N3 C26 C25 -174.99(19) . . . . ?
C24 C25 C26 N3 -0.7(3) . . . . ?
C24 C25 C26 C27 178.6(3) . . . . ?
N3 C26 C27 C34 -3.1(5) . . . . ?
C25 C26 C27 C34 177.7(3) . . . . ?
N3 C26 C27 C28 178.8(3) . . . . ?
C25 C26 C27 C28 -0.4(4) . . . . ?
C34 C27 C28 C33 119.9(3) . . . . ?
C26 C27 C28 C33 -61.8(4) . . . . ?
C34 C27 C28 C29 -60.9(4) . . . . ?
C26 C27 C28 C29 117.4(3) . . . . ?
C33 C28 C29 C30 2.1(4) . . . . ?
C27 C28 C29 C30 -177.2(3) . . . . ?
C28 C29 C30 C31 -0.4(4) . . . . ?
C29 C30 C31 C32 -0.9(5) . . . . ?
C30 C31 C32 C33 0.5(5) . . . . ?
C29 C28 C33 C32 -2.5(4) . . . . ?
C27 C28 C33 C32 176.8(3) . . . . ?
C31 C32 C33 C28 1.3(5) . . . . ?
C26 C27 C34 N4 -4.6(5) . . . . ?
C28 C27 C34 N4 173.5(3) . . . . ?
C26 C27 C34 C35 174.6(3) . . . . ?
C28 C27 C34 C35 -7.2(4) . . . . ?
C27 C34 N4 C37 -179.9(3) . . . . ?
C35 C34 N4 C37 0.8(3) . . . . ?
C27 C34 N4 Rh 8.7(4) . . . . ?
C35 C34 N4 Rh -170.67(18) . . . . ?
N3 Rh N4 C37 -174.8(2) . . . . ?
N1 Rh N4 C37 5.8(2) . . . . ?
N5 Rh N4 C37 97.2(2) . . . . ?
Cl1 Rh N4 C37 -84.1(2) . . . . ?
N3 Rh N4 C34 -4.9(2) . . . . ?
N1 Rh N4 C34 175.7(2) . . . . ?
N5 Rh N4 C34 -93.0(2) . . . . ?
Cl1 Rh N4 C34 85.7(2) . . . . ?
N4 C34 C35 C36 -0.6(3) . . . . ?
C27 C34 C35 C36 -179.9(3) . . . . ?
C34 C35 C36 C37 0.1(4) . . . . ?
C34 N4 C37 C38 179.9(3) . . . . ?
Rh N4 C37 C38 -8.6(4) . . . . ?
C34 N4 C37 C36 -0.7(3) . . . . ?
Rh N4 C37 C36 170.74(19) . . . . ?
C35 C36 C37 N4 0.3(3) . . . . ?
C35 C36 C37 C38 179.7(3) . . . . ?
N1 C4 C38 C37 2.8(5) . . . . ?
C3 C4 C38 C37 179.7(3) . . . . ?
N1 C4 C38 C39 -175.7(3) . . . . ?
C3 C4 C38 C39 1.2(4) . . . . ?
N4 C37 C38 C4 3.9(5) . . . . ?
C36 C37 C38 C4 -175.4(3) . . . . ?
N4 C37 C38 C39 -177.6(3) . . . . ?
C36 C37 C38 C39 3.1(4) . . . . ?
C4 C38 C39 C44 79.1(4) . . . . ?
C37 C38 C39 C44 -99.5(3) . . . . ?
C4 C38 C39 C40 -102.8(3) . . . . ?
C37 C38 C39 C40 78.6(4) . . . . ?
C44 C39 C40 C41 0.7(4) . . . . ?
C38 C39 C40 C41 -177.4(3) . . . . ?
C39 C40 C41 C42 0.4(5) . . . . ?
C40 C41 C42 C43 -1.0(5) . . . . ?
C41 C42 C43 C44 0.5(5) . . . . ?
C40 C39 C44 C43 -1.2(4) . . . . ?
C38 C39 C44 C43 176.9(3) . . . . ?
C42 C43 C44 C39 0.7(5) . . . . ?
N3 Rh N5 C45 135.8(3) . . . . ?
N1 Rh N5 C45 -44.3(3) . . . . ?
N4 Rh N5 C45 -134.2(3) . . . . ?
N2 Rh N5 C45 45.7(3) . . . . ?
N3 Rh N5 C46 -38.0(2) . . . . ?
N1 Rh N5 C46 141.9(2) . . . . ?
N4 Rh N5 C46 52.0(2) . . . . ?
N2 Rh N5 C46 -128.2(2) . . . . ?
C46 N5 C45 N6 -1.0(3) . . . . ?
Rh N5 C45 N6 -175.65(19) . . . . ?
N5 C45 N6 C47 1.0(3) . . . . ?
N5 C45 N6 C48 -175.4(3) . . . . ?
C45 N5 C46 C47 0.5(4) . . . . ?
Rh N5 C46 C47 175.4(2) . . . . ?
N5 C46 C47 N6 0.1(4) . . . . ?
C45 N6 C47 C46 -0.6(4) . . . . ?
C48 N6 C47 C46 175.8(3) . . . . ?

_diffrn_measured_fraction_theta_max 0.932
_diffrn_reflns_theta_full        28.00
_diffrn_measured_fraction_theta_full 0.988
_refine_diff_density_max         0.930
_refine_diff_density_min         -0.532
_refine_diff_density_rms         0.077
_database_code_depnum_ccdc_archive 'CCDC 958622'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_alb209(3)

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         '4 (C54 H44 N8 Rh), 4 Cl, 5 (C H Cl3)'
_chemical_formula_sum            'C221 H181 Cl19 N32 Rh4'
_chemical_formula_weight         4370.17

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'
Cl Cl 0.1484 0.1585 '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'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 21/n'
_symmetry_space_group_name_Hall  '-P 2yn'

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

_cell_length_a                   15.1167(2)
_cell_length_b                   19.9147(2)
_cell_length_c                   17.2364(2)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.679(1)
_cell_angle_gamma                90.00
_cell_volume                     5188.56(11)
_cell_formula_units_Z            1
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    23392
_cell_measurement_theta_min      3.1180
_cell_measurement_theta_max      29.2470

_exptl_crystal_description       block
_exptl_crystal_colour            red
_exptl_crystal_size_max          0.2299
_exptl_crystal_size_mid          0.1583
_exptl_crystal_size_min          0.1183
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.399
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2234
_exptl_absorpt_coefficient_mu    0.619
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_correction_T_min  0.934
_exptl_absorpt_correction_T_max  0.962
_exptl_absorpt_process_details   
; 
CrysAlisPro, Agilent Technologies, 
Version 1.171.36.24a (release 19-12-2012 CrysAlis171 .NET) 
(compiled Dec 19 2012,11:08:27) 
Analytical numeric absorption correction using a multifaceted crystal 
model based on expressions derived by R.C. Clark & J.S. Reid. 
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897) 
;

_exptl_special_details           
; 
 The PLATON "squeeze" procedure was used to treat regions of diffuse 
 solvent(s) which could not be modelled in terms of atomic sites. The 
 number of electrons thus located, 266 per unit cell, is included 
 in the formula, formula weight, calculated density, μ and F(000). 
 This residual electron density was assigned to five molecules of 
 chloroform per unit cell. Five chloroforms would give 290 e⁻. 
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'SuperNova (Mo) X-ray Source'
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.3196
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            53398
_diffrn_reflns_av_R_equivalents  0.0325
_diffrn_reflns_av_sigmaI/netI    0.0288
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         2.88
_diffrn_reflns_theta_max         29.53
_reflns_number_total             12825
_reflns_number_gt                10892
_reflns_threshold_expression     I>2σ(I)

_computing_data_collection       
; 
CrysAlisPro, Agilent Technologies, 
Version 1.171.36.24a (release 19-12-2012 CrysAlis171 .NET) 
(compiled Dec 19 2012,11:08:27) 
;
_computing_cell_refinement       
; 
CrysAlisPro, Agilent Technologies, 
Version 1.171.36.24a (release 19-12-2012 CrysAlis171 .NET) 
(compiled Dec 19 2012,11:08:27) 
;
_computing_data_reduction        
; 
CrysAlisPro, Agilent Technologies, 
Version 1.171.36.24a (release 19-12-2012 CrysAlis171 .NET) 
(compiled Dec 19 2012,11:08:27) 
;
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² 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/[σ²(Fo²)+(0.0515P)²+4.6832P] where P=(Fo²+2Fc²)/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         12825
_refine_ls_number_parameters     581
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0461
_refine_ls_R_factor_gt           0.0380
_refine_ls_wR_factor_ref         0.1086
_refine_ls_wR_factor_gt          0.1032
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_restrained_S_all      1.069
_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
Rh Rh 0.150842(10) 0.765769(7) 0.170712(9) 0.01951(6) Uani 1 1 d . . .
N1 N 0.22969(12) 0.79217(9) 0.08300(10) 0.0225(3) Uani 1 1 d . . .
C1 C 0.20246(15) 0.81713(10) 0.01276(12) 0.0236(4) Uani 1 1 d . . .
C2 C 0.28003(16) 0.82959(11) -0.03353(13) 0.0281(5) Uani 1 1 d . . .
H2 H 0.2806 0.8463 -0.0852 0.034 Uiso 1 1 calc R . .
C3 C 0.35153(16) 0.81308(11) 0.01030(13) 0.0284(5) Uani 1 1 d . . .
H3 H 0.4117 0.8171 -0.0045 0.034 Uiso 1 1 calc R . .
C4 C 0.31992(15) 0.78826(10) 0.08357(12) 0.0239(4) Uani 1 1 d . . .
C5 C 0.37272(15) 0.75766(11) 0.14086(13) 0.0248(4) Uani 1 1 d . . .
C6 C 0.47047(16) 0.75669(12) 0.12581(13) 0.0290(5) Uani 1 1 d . . .
C7 C 0.50921(17) 0.70080(14) 0.09217(14) 0.0365(5) Uani 1 1 d . . .
H7 H 0.4743 0.6620 0.0824 0.044 Uiso 1 1 calc R . .
C8 C 0.59779(18) 0.70062(17) 0.07256(15) 0.0462(7) Uani 1 1 d . . .
H8 H 0.6232 0.6619 0.0495 0.055 Uiso 1 1 calc R . .
C9 C 0.64863(19) 0.7563(2) 0.08648(19) 0.0531(8) Uani 1 1 d . . .
H9 H 0.7094 0.7563 0.0732 0.064 Uiso 1 1 calc R . .
C10 C 0.6118(2) 0.81168(19) 0.1195(2) 0.0595(9) Uani 1 1 d . . .
H10 H 0.6472 0.8503 0.1289 0.071 Uiso 1 1 calc R . .
C11 C 0.52239(18) 0.81242(15) 0.13976(18) 0.0447(6) Uani 1 1 d . . .
H11 H 0.4976 0.8512 0.1631 0.054 Uiso 1 1 calc R . .
C12 C 0.33903(15) 0.72064(10) 0.20275(13) 0.0243(4) Uani 1 1 d . . .
N2 N 0.05204(12) 0.81905(9) 0.12201(10) 0.0222(3) Uani 1 1 d . . .
C13 C 0.38988(15) 0.67573(11) 0.25159(13) 0.0275(4) Uani 1 1 d . . .
H13 H 0.4525 0.6713 0.2527 0.033 Uiso 1 1 calc R . .
C14 C 0.33180(15) 0.64102(11) 0.29552(13) 0.0266(4) Uani 1 1 d . . .
H14 H 0.3461 0.6066 0.3317 0.032 Uiso 1 1 calc R . .
C15 C 0.24372(15) 0.66611(10) 0.27708(12) 0.0239(4) Uani 1 1 d . . .
C16 C 0.16595(15) 0.65018(11) 0.31602(12) 0.0252(4) Uani 1 1 d . . .
C17 C 0.16660(15) 0.59587(10) 0.37582(12) 0.0250(4) Uani 1 1 d . . .
C18 C 0.21529(17) 0.60199(11) 0.44459(14) 0.0324(5) Uani 1 1 d . . .
H18 H 0.2527 0.6398 0.4523 0.039 Uiso 1 1 calc R . .
C19 C 0.2095(2) 0.55331(14) 0.50192(15) 0.0412(6) Uani 1 1 d . . .
H19 H 0.2430 0.5579 0.5486 0.049 Uiso 1 1 calc R . .
C20 C 0.1551(2) 0.49813(13) 0.49108(16) 0.0430(6) Uani 1 1 d . . .
H20 H 0.1505 0.4652 0.5307 0.052 Uiso 1 1 calc R . .
C21 C 0.1079(2) 0.49093(14) 0.42340(18) 0.0470(7) Uani 1 1 d . . .
H21 H 0.0714 0.4526 0.4158 0.056 Uiso 1 1 calc R . .
C22 C 0.11324(18) 0.53957(13) 0.36550(16) 0.0381(6) Uani 1 1 d . . .
H22 H 0.0802 0.5342 0.3187 0.046 Uiso 1 1 calc R . .
C23 C 0.08754(16) 0.68781(11) 0.30983(13) 0.0280(5) Uani 1 1 d . . .
N3 N 0.07237(12) 0.73852(9) 0.25780(10) 0.0230(4) Uani 1 1 d . . .
C24 C 0.01721(18) 0.68792(14) 0.36533(15) 0.0393(6) Uani 1 1 d . . .
H24 H 0.0098 0.6568 0.4065 0.047 Uiso 1 1 calc R . .
C25 C -0.03611(18) 0.74000(13) 0.34831(15) 0.0382(6) Uani 1 1 d . . .
H25 H -0.0864 0.7537 0.3768 0.046 Uiso 1 1 calc R . .
C26 C -0.00310(15) 0.77124(11) 0.27896(13) 0.0264(4) Uani 1 1 d . . .
C27 C -0.04545(14) 0.82147(11) 0.23563(13) 0.0250(4) Uani 1 1 d . . .
C28 C -0.12469(15) 0.85279(11) 0.27229(13) 0.0275(4) Uani 1 1 d . . .
C29 C -0.11265(18) 0.90653(13) 0.32269(14) 0.0352(5) Uani 1 1 d . . .
H29 H -0.0552 0.9249 0.3302 0.042 Uiso 1 1 calc R . .
C30 C -0.1837(2) 0.93354(15) 0.36219(16) 0.0448(7) Uani 1 1 d . . .
H30 H -0.1749 0.9701 0.3969 0.054 Uiso 1 1 calc R . .
C31 C -0.2670(2) 0.90722(17) 0.3509(2) 0.0546(8) Uani 1 1 d . . .
H31 H -0.3157 0.9253 0.3781 0.066 Uiso 1 1 calc R . .
C32 C -0.2799(2) 0.85388(18) 0.2992(3) 0.0639(10) Uani 1 1 d . . .
H32 H -0.3375 0.8361 0.2910 0.077 Uiso 1 1 calc R . .
C33 C -0.20901(18) 0.82716(14) 0.2603(2) 0.0473(7) Uani 1 1 d . . .
H33 H -0.2180 0.7910 0.2251 0.057 Uiso 1 1 calc R . .
C34 C -0.02251(14) 0.83957(10) 0.15962(12) 0.0231(4) Uani 1 1 d . . .
N4 N 0.25110(12) 0.71419(9) 0.22052(10) 0.0222(3) Uani 1 1 d . . .
C35 C -0.07836(15) 0.87548(11) 0.10525(13) 0.0287(5) Uani 1 1 d . . .
H35 H -0.1332 0.8965 0.1163 0.034 Uiso 1 1 calc R . .
C36 C -0.03800(16) 0.87356(11) 0.03524(13) 0.0289(5) Uani 1 1 d . . .
H36 H -0.0608 0.8910 -0.0122 0.035 Uiso 1 1 calc R . .
C37 C 0.04598(15) 0.84022(11) 0.04636(12) 0.0250(4) Uani 1 1 d . . .
C38 C 0.11557(15) 0.83647(11) -0.00720(12) 0.0256(4) Uani 1 1 d . . .
C39 C 0.10312(16) 0.86184(11) -0.08814(12) 0.0278(4) Uani 1 1 d . . .
C40 C 0.07884(19) 0.92815(12) -0.10401(14) 0.0370(6) Uani 1 1 d . . .
H40 H 0.0633 0.9573 -0.0628 0.044 Uiso 1 1 calc R . .
C41 C 0.0774(2) 0.95166(14) -0.18019(16) 0.0473(7) Uani 1 1 d . . .
H41 H 0.0604 0.9968 -0.1904 0.057 Uiso 1 1 calc R . .
C42 C 0.1004(2) 0.91018(15) -0.24120(15) 0.0460(7) Uani 1 1 d . . .
H42 H 0.0998 0.9266 -0.2929 0.055 Uiso 1 1 calc R . .
C43 C 0.12440(18) 0.84389(15) -0.22555(14) 0.0389(6) Uani 1 1 d . . .
H43 H 0.1407 0.8150 -0.2669 0.047 Uiso 1 1 calc R . .
C44 C 0.12470(17) 0.81997(13) -0.15058(13) 0.0325(5) Uani 1 1 d . . .
H44 H 0.1398 0.7744 -0.1410 0.039 Uiso 1 1 calc R . .
C45 C 0.10958(14) 0.67891(10) 0.10856(12) 0.0230(4) Uani 1 1 d . . .
N5 N 0.15953(13) 0.62880(9) 0.07798(11) 0.0285(4) Uani 1 1 d . . .
C48 C 0.25562(16) 0.62337(12) 0.07557(15) 0.0342(5) Uani 1 1 d . . .
H48A H 0.2806 0.6656 0.0565 0.051 Uiso 1 1 calc R . .
H48B H 0.2721 0.5866 0.0408 0.051 Uiso 1 1 calc R . .
H48C H 0.2788 0.6142 0.1278 0.051 Uiso 1 1 calc R . .
C46 C 0.10757(18) 0.57885(12) 0.04488(18) 0.0433(7) Uani 1 1 d . . .
H46 H 0.1279 0.5391 0.0204 0.052 Uiso 1 1 calc R . .
C47 C 0.02321(19) 0.59745(13) 0.05396(19) 0.0446(7) Uani 1 1 d . . .
H47 H -0.0279 0.5736 0.0369 0.053 Uiso 1 1 calc R . .
N6 N 0.02484(13) 0.65827(10) 0.09316(12) 0.0305(4) Uani 1 1 d . . .
C49 C -0.05845(16) 0.69238(13) 0.10831(16) 0.0368(6) Uani 1 1 d . . .
H49A H -0.0604 0.7056 0.1630 0.055 Uiso 1 1 calc R . .
H49B H -0.1078 0.6620 0.0966 0.055 Uiso 1 1 calc R . .
H49C H -0.0632 0.7325 0.0755 0.055 Uiso 1 1 calc R . .
C50 C 0.18493(15) 0.85375(11) 0.23589(12) 0.0250(4) Uani 1 1 d . . .
N7 N 0.20057(17) 0.85950(10) 0.31348(12) 0.0389(5) Uani 1 1 d . . .
C53 C 0.2130(2) 0.80645(13) 0.37137(15) 0.0452(7) Uani 1 1 d . . .
H53A H 0.1565 0.7837 0.3801 0.068 Uiso 1 1 calc R . .
H53B H 0.2344 0.8262 0.4202 0.068 Uiso 1 1 calc R . .
H53C H 0.2564 0.7739 0.3526 0.068 Uiso 1 1 calc R . .
C51 C 0.2096(3) 0.92556(14) 0.33590(18) 0.0729(13) Uani 1 1 d . . .
H51 H 0.2217 0.9417 0.3868 0.087 Uiso 1 1 calc R . .
C52 C 0.1979(3) 0.96235(14) 0.27198(18) 0.0746(13) Uani 1 1 d . . .
H52 H 0.1994 1.0100 0.2688 0.090 Uiso 1 1 calc R . .
N8 N 0.18342(16) 0.91851(10) 0.21162(12) 0.0361(5) Uani 1 1 d . . .
C54 C 0.16843(18) 0.94488(11) 0.13395(14) 0.0342(5) Uani 1 1 d . . .
H54A H 0.1923 0.9135 0.0958 0.051 Uiso 1 1 calc R . .
H54B H 0.1981 0.9884 0.1290 0.051 Uiso 1 1 calc R . .
H54C H 0.1048 0.9506 0.1247 0.051 Uiso 1 1 calc R . .
Cl Cl 0.28218(4) 0.93165(3) 0.52919(3) 0.02782(11) Uani 1 1 d . . .


_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
Rh N3 1.9993(18) . ?
Rh N1 2.0064(17) . ?
Rh N2 2.0079(18) . ?
Rh N4 2.0146(18) . ?
Rh C45 2.124(2) . ?
Rh C50 2.141(2) . ?
N1 C4 1.366(3) . ?
N1 C1 1.368(3) . ?
C1 C38 1.408(3) . ?
C1 C2 1.448(3) . ?
C2 C3 1.352(3) . ?
C2 H2 0.9500 . ?
C3 C4 1.443(3) . ?
C3 H3 0.9500 . ?
C4 C5 1.402(3) . ?
C5 C12 1.398(3) . ?
C5 C6 1.503(3) . ?
C6 C11 1.379(4) . ?
C6 C7 1.388(3) . ?
C7 C8 1.385(4) . ?
C7 H7 0.9500 . ?
C8 C9 1.368(5) . ?
C8 H8 0.9500 . ?
C9 C10 1.364(5) . ?
C9 H9 0.9500 . ?
C10 C11 1.400(4) . ?
C10 H10 0.9500 . ?
C11 H11 0.9500 . ?
C12 N4 1.374(3) . ?
C12 C13 1.444(3) . ?
N2 C34 1.369(3) . ?
N2 C37 1.372(3) . ?
C13 C14 1.356(3) . ?
C13 H13 0.9500 . ?
C14 C15 1.454(3) . ?
C14 H14 0.9500 . ?
C15 N4 1.372(3) . ?
C15 C16 1.397(3) . ?
C16 C23 1.405(3) . ?
C16 C17 1.494(3) . ?
C17 C22 1.391(3) . ?
C17 C18 1.393(3) . ?
C18 C19 1.388(3) . ?
C18 H18 0.9500 . ?
C19 C20 1.384(4) . ?
C19 H19 0.9500 . ?
C20 C21 1.368(4) . ?
C20 H20 0.9500 . ?
C21 C22 1.394(4) . ?
C21 H21 0.9500 . ?
C22 H22 0.9500 . ?
C23 N3 1.368(3) . ?
C23 C24 1.439(3) . ?
N3 C26 1.367(3) . ?
C24 C25 1.344(3) . ?
C24 H24 0.9500 . ?
C25 C26 1.442(3) . ?
C25 H25 0.9500 . ?
C26 C27 1.399(3) . ?
C27 C34 1.406(3) . ?
C27 C28 1.497(3) . ?
C28 C33 1.386(4) . ?
C28 C29 1.389(3) . ?
C29 C30 1.387(4) . ?
C29 H29 0.9500 . ?
C30 C31 1.375(5) . ?
C30 H30 0.9500 . ?
C31 C32 1.398(5) . ?
C31 H31 0.9500 . ?
C32 C33 1.378(4) . ?
C32 H32 0.9500 . ?
C33 H33 0.9500 . ?
C34 C35 1.444(3) . ?
C35 C36 1.359(3) . ?
C35 H35 0.9500 . ?
C36 C37 1.443(3) . ?
C36 H36 0.9500 . ?
C37 C38 1.410(3) . ?
C38 C39 1.493(3) . ?
C39 C40 1.397(3) . ?
C39 C44 1.403(3) . ?
C40 C41 1.394(4) . ?
C40 H40 0.9500 . ?
C41 C42 1.385(4) . ?
C41 H41 0.9500 . ?
C42 C43 1.394(4) . ?
C42 H42 0.9500 . ?
C43 C44 1.377(3) . ?
C43 H43 0.9500 . ?
C44 H44 0.9500 . ?
C45 N5 1.361(3) . ?
C45 N6 1.368(3) . ?
N5 C46 1.386(3) . ?
N5 C48 1.458(3) . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C46 C47 1.339(4) . ?
C46 H46 0.9500 . ?
C47 N6 1.387(3) . ?
C47 H47 0.9500 . ?
N6 C49 1.457(3) . ?
C49 H49A 0.9800 . ?
C49 H49B 0.9800 . ?
C49 H49C 0.9800 . ?
C50 N8 1.356(3) . ?
C50 N7 1.360(3) . ?
N7 C51 1.377(3) . ?
N7 C53 1.464(3) . ?
C53 H53A 0.9800 . ?
C53 H53B 0.9800 . ?
C53 H53C 0.9800 . ?
C51 C52 1.333(4) . ?
C51 H51 0.9500 . ?
C52 N8 1.374(3) . ?
C52 H52 0.9500 . ?
N8 C54 1.453(3) . ?
C54 H54A 0.9800 . ?
C54 H54B 0.9800 . ?
C54 H54C 0.9800 . ?

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
N3 Rh N1 179.44(7) . . ?
N3 Rh N2 90.71(7) . . ?
N1 Rh N2 89.54(7) . . ?
N3 Rh N4 89.52(7) . . ?
N1 Rh N4 90.24(7) . . ?
N2 Rh N4 178.74(7) . . ?
N3 Rh C45 89.10(8) . . ?
N1 Rh C45 90.39(7) . . ?
N2 Rh C45 90.40(8) . . ?
N4 Rh C45 90.84(8) . . ?
N3 Rh C50 88.25(8) . . ?
N1 Rh C50 92.26(8) . . ?
N2 Rh C50 87.71(8) . . ?
N4 Rh C50 91.06(8) . . ?
C45 Rh C50 176.73(8) . . ?
C4 N1 C1 108.49(17) . . ?
C4 N1 Rh 125.56(14) . . ?
C1 N1 Rh 125.95(15) . . ?
N1 C1 C38 125.87(19) . . ?
N1 C1 C2 108.24(19) . . ?
C38 C1 C2 125.3(2) . . ?
C3 C2 C1 107.33(19) . . ?
C3 C2 H2 126.3 . . ?
C1 C2 H2 126.3 . . ?
C2 C3 C4 107.5(2) . . ?
C2 C3 H3 126.2 . . ?
C4 C3 H3 126.2 . . ?
N1 C4 C5 126.17(19) . . ?
N1 C4 C3 108.37(19) . . ?
C5 C4 C3 125.0(2) . . ?
C12 C5 C4 123.9(2) . . ?
C12 C5 C6 119.5(2) . . ?
C4 C5 C6 115.89(19) . . ?
C11 C6 C7 118.4(2) . . ?
C11 C6 C5 121.2(2) . . ?
C7 C6 C5 120.2(2) . . ?
C8 C7 C6 121.2(3) . . ?
C8 C7 H7 119.4 . . ?
C6 C7 H7 119.4 . . ?
C9 C8 C7 119.9(3) . . ?
C9 C8 H8 120.1 . . ?
C7 C8 H8 120.1 . . ?
C10 C9 C8 119.8(3) . . ?
C10 C9 H9 120.1 . . ?
C8 C9 H9 120.1 . . ?
C9 C10 C11 120.9(3) . . ?
C9 C10 H10 119.6 . . ?
C11 C10 H10 119.6 . . ?
C6 C11 C10 119.8(3) . . ?
C6 C11 H11 120.1 . . ?
C10 C11 H11 120.1 . . ?
N4 C12 C5 125.6(2) . . ?
N4 C12 C13 108.78(19) . . ?
C5 C12 C13 125.1(2) . . ?
C34 N2 C37 108.19(18) . . ?
C34 N2 Rh 124.90(14) . . ?
C37 N2 Rh 126.91(15) . . ?
C14 C13 C12 107.3(2) . . ?
C14 C13 H13 126.3 . . ?
C12 C13 H13 126.3 . . ?
C13 C14 C15 107.47(19) . . ?
C13 C14 H14 126.3 . . ?
C15 C14 H14 126.3 . . ?
N4 C15 C16 125.15(19) . . ?
N4 C15 C14 108.25(19) . . ?
C16 C15 C14 126.2(2) . . ?
C15 C16 C23 123.8(2) . . ?
C15 C16 C17 119.80(19) . . ?
C23 C16 C17 115.92(19) . . ?
C22 C17 C18 118.6(2) . . ?
C22 C17 C16 119.7(2) . . ?
C18 C17 C16 121.5(2) . . ?
C19 C18 C17 120.5(2) . . ?
C19 C18 H18 119.7 . . ?
C17 C18 H18 119.7 . . ?
C20 C19 C18 120.0(2) . . ?
C20 C19 H19 120.0 . . ?
C18 C19 H19 120.0 . . ?
C21 C20 C19 120.1(2) . . ?
C21 C20 H20 120.0 . . ?
C19 C20 H20 120.0 . . ?
C20 C21 C22 120.3(2) . . ?
C20 C21 H21 119.9 . . ?
C22 C21 H21 119.9 . . ?
C17 C22 C21 120.5(2) . . ?
C17 C22 H22 119.8 . . ?
C21 C22 H22 119.8 . . ?
N3 C23 C16 125.3(2) . . ?
N3 C23 C24 108.4(2) . . ?
C16 C23 C24 125.4(2) . . ?
C26 N3 C23 108.10(18) . . ?
C26 N3 Rh 125.12(14) . . ?
C23 N3 Rh 126.61(15) . . ?
C25 C24 C23 107.6(2) . . ?
C25 C24 H24 126.2 . . ?
C23 C24 H24 126.2 . . ?
C24 C25 C26 107.5(2) . . ?
C24 C25 H25 126.2 . . ?
C26 C25 H25 126.2 . . ?
N3 C26 C27 125.2(2) . . ?
N3 C26 C25 108.28(19) . . ?
C27 C26 C25 126.2(2) . . ?
C26 C27 C34 124.4(2) . . ?
C26 C27 C28 115.85(19) . . ?
C34 C27 C28 119.60(19) . . ?
C33 C28 C29 119.4(2) . . ?
C33 C28 C27 121.5(2) . . ?
C29 C28 C27 119.0(2) . . ?
C30 C29 C28 120.6(3) . . ?
C30 C29 H29 119.7 . . ?
C28 C29 H29 119.7 . . ?
C31 C30 C29 119.7(3) . . ?
C31 C30 H30 120.2 . . ?
C29 C30 H30 120.2 . . ?
C30 C31 C32 120.0(3) . . ?
C30 C31 H31 120.0 . . ?
C32 C31 H31 120.0 . . ?
C33 C32 C31 120.0(3) . . ?
C33 C32 H32 120.0 . . ?
C31 C32 H32 120.0 . . ?
C32 C33 C28 120.3(3) . . ?
C32 C33 H33 119.9 . . ?
C28 C33 H33 119.9 . . ?
N2 C34 C27 125.32(19) . . ?
N2 C34 C35 108.59(18) . . ?
C27 C34 C35 125.7(2) . . ?
C15 N4 C12 108.11(18) . . ?
C15 N4 Rh 126.27(14) . . ?
C12 N4 Rh 125.62(14) . . ?
C36 C35 C34 107.3(2) . . ?
C36 C35 H35 126.4 . . ?
C34 C35 H35 126.4 . . ?
C35 C36 C37 107.37(19) . . ?
C35 C36 H36 126.3 . . ?
C37 C36 H36 126.3 . . ?
N2 C37 C38 124.3(2) . . ?
N2 C37 C36 108.43(19) . . ?
C38 C37 C36 126.8(2) . . ?
C1 C38 C37 123.77(19) . . ?
C1 C38 C39 115.33(19) . . ?
C37 C38 C39 120.5(2) . . ?
C40 C39 C44 118.3(2) . . ?
C40 C39 C38 122.2(2) . . ?
C44 C39 C38 119.2(2) . . ?
C41 C40 C39 120.2(2) . . ?
C41 C40 H40 119.9 . . ?
C39 C40 H40 119.9 . . ?
C42 C41 C40 120.9(3) . . ?
C42 C41 H41 119.6 . . ?
C40 C41 H41 119.6 . . ?
C41 C42 C43 119.0(2) . . ?
C41 C42 H42 120.5 . . ?
C43 C42 H42 120.5 . . ?
C44 C43 C42 120.5(3) . . ?
C44 C43 H43 119.8 . . ?
C42 C43 H43 119.8 . . ?
C43 C44 C39 121.1(2) . . ?
C43 C44 H44 119.5 . . ?
C39 C44 H44 119.5 . . ?
N5 C45 N6 103.11(18) . . ?
N5 C45 Rh 129.15(16) . . ?
N6 C45 Rh 127.66(15) . . ?
C45 N5 C46 111.8(2) . . ?
C45 N5 C48 128.53(19) . . ?
C46 N5 C48 119.67(19) . . ?
N5 C48 H48A 109.5 . . ?
N5 C48 H48B 109.5 . . ?
H48A C48 H48B 109.5 . . ?
N5 C48 H48C 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C47 C46 N5 106.8(2) . . ?
C47 C46 H46 126.6 . . ?
N5 C46 H46 126.6 . . ?
C46 C47 N6 106.7(2) . . ?
C46 C47 H47 126.7 . . ?
N6 C47 H47 126.7 . . ?
C45 N6 C47 111.6(2) . . ?
C45 N6 C49 129.36(19) . . ?
C47 N6 C49 118.9(2) . . ?
N6 C49 H49A 109.5 . . ?
N6 C49 H49B 109.5 . . ?
H49A C49 H49B 109.5 . . ?
N6 C49 H49C 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 109.5 . . ?
N8 C50 N7 103.02(18) . . ?
N8 C50 Rh 127.84(16) . . ?
N7 C50 Rh 128.52(16) . . ?
C50 N7 C51 111.8(2) . . ?
C50 N7 C53 129.0(2) . . ?
C51 N7 C53 119.1(2) . . ?
N7 C53 H53A 109.5 . . ?
N7 C53 H53B 109.5 . . ?
H53A C53 H53B 109.5 . . ?
N7 C53 H53C 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
C52 C51 N7 106.3(2) . . ?
C52 C51 H51 126.8 . . ?
N7 C51 H51 126.8 . . ?
C51 C52 N8 107.2(2) . . ?
C51 C52 H52 126.4 . . ?
N8 C52 H52 126.4 . . ?
C50 N8 C52 111.6(2) . . ?
C50 N8 C54 129.03(19) . . ?
C52 N8 C54 119.3(2) . . ?
N8 C54 H54A 109.5 . . ?
N8 C54 H54B 109.5 . . ?
H54A C54 H54B 109.5 . . ?
N8 C54 H54C 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?

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
N2 Rh N1 C4 162.42(17) . . . . ?
N4 Rh N1 C4 -16.34(17) . . . . ?
C45 Rh N1 C4 -107.18(17) . . . . ?
C50 Rh N1 C4 74.73(17) . . . . ?
N2 Rh N1 C1 -17.50(17) . . . . ?
N4 Rh N1 C1 163.74(17) . . . . ?
C45 Rh N1 C1 72.89(17) . . . . ?
C50 Rh N1 C1 -105.20(17) . . . . ?
C4 N1 C1 C38 -171.6(2) . . . . ?
Rh N1 C1 C38 8.3(3) . . . . ?
C4 N1 C1 C2 0.0(2) . . . . ?
Rh N1 C1 C2 179.96(14) . . . . ?
N1 C1 C2 C3 -1.1(2) . . . . ?
C38 C1 C2 C3 170.6(2) . . . . ?
C1 C2 C3 C4 1.6(2) . . . . ?
C1 N1 C4 C5 -171.5(2) . . . . ?
Rh N1 C4 C5 8.5(3) . . . . ?
C1 N1 C4 C3 1.0(2) . . . . ?
Rh N1 C4 C3 -178.96(14) . . . . ?
C2 C3 C4 N1 -1.7(2) . . . . ?
C2 C3 C4 C5 171.0(2) . . . . ?
N1 C4 C5 C12 6.5(3) . . . . ?
C3 C4 C5 C12 -164.8(2) . . . . ?
N1 C4 C5 C6 176.7(2) . . . . ?
C3 C4 C5 C6 5.4(3) . . . . ?
C12 C5 C6 C11 -109.5(3) . . . . ?
C4 C5 C6 C11 79.9(3) . . . . ?
C12 C5 C6 C7 75.2(3) . . . . ?
C4 C5 C6 C7 -95.5(3) . . . . ?
C11 C6 C7 C8 -0.3(4) . . . . ?
C5 C6 C7 C8 175.2(2) . . . . ?
C6 C7 C8 C9 0.1(4) . . . . ?
C7 C8 C9 C10 -0.1(5) . . . . ?
C8 C9 C10 C11 0.3(5) . . . . ?
C7 C6 C11 C10 0.4(4) . . . . ?
C5 C6 C11 C10 -175.0(3) . . . . ?
C9 C10 C11 C6 -0.4(5) . . . . ?
C4 C5 C12 N4 -6.5(3) . . . . ?
C6 C5 C12 N4 -176.3(2) . . . . ?
C4 C5 C12 C13 164.5(2) . . . . ?
C6 C5 C12 C13 -5.4(3) . . . . ?
N3 Rh N2 C34 17.87(17) . . . . ?
N1 Rh N2 C34 -162.63(17) . . . . ?
C45 Rh N2 C34 106.98(17) . . . . ?
C50 Rh N2 C34 -70.35(17) . . . . ?
N3 Rh N2 C37 -160.96(18) . . . . ?
N1 Rh N2 C37 18.54(18) . . . . ?
C45 Rh N2 C37 -71.85(18) . . . . ?
C50 Rh N2 C37 110.82(18) . . . . ?
N4 C12 C13 C14 2.5(2) . . . . ?
C5 C12 C13 C14 -169.7(2) . . . . ?
C12 C13 C14 C15 -2.5(2) . . . . ?
C13 C14 C15 N4 1.7(2) . . . . ?
C13 C14 C15 C16 -171.4(2) . . . . ?
N4 C15 C16 C23 -9.2(3) . . . . ?
C14 C15 C16 C23 162.9(2) . . . . ?
N4 C15 C16 C17 179.11(19) . . . . ?
C14 C15 C16 C17 -8.9(3) . . . . ?
C15 C16 C17 C22 -119.0(3) . . . . ?
C23 C16 C17 C22 68.7(3) . . . . ?
C15 C16 C17 C18 65.2(3) . . . . ?
C23 C16 C17 C18 -107.2(3) . . . . ?
C22 C17 C18 C19 -0.9(4) . . . . ?
C16 C17 C18 C19 175.0(2) . . . . ?
C17 C18 C19 C20 0.0(4) . . . . ?
C18 C19 C20 C21 1.0(5) . . . . ?
C19 C20 C21 C22 -1.0(5) . . . . ?
C18 C17 C22 C21 0.9(4) . . . . ?
C16 C17 C22 C21 -175.1(2) . . . . ?
C20 C21 C22 C17 0.1(5) . . . . ?
C15 C16 C23 N3 9.6(4) . . . . ?
C17 C16 C23 N3 -178.3(2) . . . . ?
C15 C16 C23 C24 -158.4(2) . . . . ?
C17 C16 C23 C24 13.7(4) . . . . ?
C16 C23 N3 C26 -168.5(2) . . . . ?
C24 C23 N3 C26 1.2(3) . . . . ?
C16 C23 N3 Rh 7.0(3) . . . . ?
C24 C23 N3 Rh 176.68(17) . . . . ?
N2 Rh N3 C26 -20.43(19) . . . . ?
N4 Rh N3 C26 158.33(19) . . . . ?
C45 Rh N3 C26 -110.82(19) . . . . ?
C50 Rh N3 C26 67.26(19) . . . . ?
N2 Rh N3 C23 164.84(19) . . . . ?
N4 Rh N3 C23 -16.40(19) . . . . ?
C45 Rh N3 C23 74.45(19) . . . . ?
C50 Rh N3 C23 -107.47(19) . . . . ?
N3 C23 C24 C25 -2.9(3) . . . . ?
C16 C23 C24 C25 166.8(3) . . . . ?
C23 C24 C25 C26 3.3(3) . . . . ?
C23 N3 C26 C27 -172.9(2) . . . . ?
Rh N3 C26 C27 11.6(3) . . . . ?
C23 N3 C26 C25 0.8(3) . . . . ?
Rh N3 C26 C25 -174.73(17) . . . . ?
C24 C25 C26 N3 -2.7(3) . . . . ?
C24 C25 C26 C27 171.0(3) . . . . ?
N3 C26 C27 C34 8.3(4) . . . . ?
C25 C26 C27 C34 -164.3(2) . . . . ?
N3 C26 C27 C28 -176.9(2) . . . . ?
C25 C26 C27 C28 10.5(4) . . . . ?
C26 C27 C28 C33 -90.2(3) . . . . ?
C34 C27 C28 C33 84.9(3) . . . . ?
C26 C27 C28 C29 86.3(3) . . . . ?
C34 C27 C28 C29 -98.6(3) . . . . ?
C33 C28 C29 C30 1.5(4) . . . . ?
C27 C28 C29 C30 -175.1(2) . . . . ?
C28 C29 C30 C31 -0.5(4) . . . . ?
C29 C30 C31 C32 -0.6(5) . . . . ?
C30 C31 C32 C33 0.7(6) . . . . ?
C31 C32 C33 C28 0.2(6) . . . . ?
C29 C28 C33 C32 -1.3(5) . . . . ?
C27 C28 C33 C32 175.2(3) . . . . ?
C37 N2 C34 C27 172.8(2) . . . . ?
Rh N2 C34 C27 -6.2(3) . . . . ?
C37 N2 C34 C35 -0.1(2) . . . . ?
Rh N2 C34 C35 -179.07(14) . . . . ?
C26 C27 C34 N2 -11.1(4) . . . . ?
C28 C27 C34 N2 174.2(2) . . . . ?
C26 C27 C34 C35 160.5(2) . . . . ?
C28 C27 C34 C35 -14.1(3) . . . . ?
C16 C15 N4 C12 173.1(2) . . . . ?
C14 C15 N4 C12 -0.2(2) . . . . ?
C16 C15 N4 Rh -7.7(3) . . . . ?
C14 C15 N4 Rh 179.07(14) . . . . ?
C5 C12 N4 C15 170.8(2) . . . . ?
C13 C12 N4 C15 -1.4(2) . . . . ?
C5 C12 N4 Rh -8.5(3) . . . . ?
C13 C12 N4 Rh 179.35(14) . . . . ?
N3 Rh N4 C15 16.75(17) . . . . ?
N1 Rh N4 C15 -162.75(17) . . . . ?
C45 Rh N4 C15 -72.35(17) . . . . ?
C50 Rh N4 C15 104.99(17) . . . . ?
N3 Rh N4 C12 -164.16(17) . . . . ?
N1 Rh N4 C12 16.35(17) . . . . ?
C45 Rh N4 C12 106.74(17) . . . . ?
C50 Rh N4 C12 -75.92(17) . . . . ?
N2 C34 C35 C36 2.4(3) . . . . ?
C27 C34 C35 C36 -170.4(2) . . . . ?
C34 C35 C36 C37 -3.6(3) . . . . ?
C34 N2 C37 C38 170.9(2) . . . . ?
Rh N2 C37 C38 -10.1(3) . . . . ?
C34 N2 C37 C36 -2.2(2) . . . . ?
Rh N2 C37 C36 176.83(14) . . . . ?
C35 C36 C37 N2 3.7(3) . . . . ?
C35 C36 C37 C38 -169.1(2) . . . . ?
N1 C1 C38 C37 8.0(3) . . . . ?
C2 C1 C38 C37 -162.3(2) . . . . ?
N1 C1 C38 C39 -179.65(19) . . . . ?
C2 C1 C38 C39 10.1(3) . . . . ?
N2 C37 C38 C1 -7.0(3) . . . . ?
C36 C37 C38 C1 164.7(2) . . . . ?
N2 C37 C38 C39 -179.0(2) . . . . ?
C36 C37 C38 C39 -7.3(3) . . . . ?
C1 C38 C39 C40 -114.8(3) . . . . ?
C37 C38 C39 C40 57.8(3) . . . . ?
C1 C38 C39 C44 58.8(3) . . . . ?
C37 C38 C39 C44 -128.5(2) . . . . ?
C44 C39 C40 C41 -0.7(4) . . . . ?
C38 C39 C40 C41 172.9(3) . . . . ?
C39 C40 C41 C42 -0.4(5) . . . . ?
C40 C41 C42 C43 0.6(5) . . . . ?
C41 C42 C43 C44 0.4(4) . . . . ?
C42 C43 C44 C39 -1.6(4) . . . . ?
C40 C39 C44 C43 1.8(4) . . . . ?
C38 C39 C44 C43 -172.1(2) . . . . ?
N3 Rh C45 N5 -124.4(2) . . . . ?
N1 Rh C45 N5 55.3(2) . . . . ?
N2 Rh C45 N5 144.9(2) . . . . ?
N4 Rh C45 N5 -34.9(2) . . . . ?
N3 Rh C45 N6 51.87(19) . . . . ?
N1 Rh C45 N6 -128.38(19) . . . . ?
N2 Rh C45 N6 -38.84(19) . . . . ?
N4 Rh C45 N6 141.38(19) . . . . ?
N6 C45 N5 C46 -0.1(3) . . . . ?
Rh C45 N5 C46 176.92(19) . . . . ?
N6 C45 N5 C48 178.9(2) . . . . ?
Rh C45 N5 C48 -4.2(3) . . . . ?
C45 N5 C46 C47 0.4(3) . . . . ?
C48 N5 C46 C47 -178.6(2) . . . . ?
N5 C46 C47 N6 -0.5(3) . . . . ?
N5 C45 N6 C47 -0.3(3) . . . . ?
Rh C45 N6 C47 -177.33(19) . . . . ?
N5 C45 N6 C49 -176.7(2) . . . . ?
Rh C45 N6 C49 6.3(4) . . . . ?
C46 C47 N6 C45 0.5(3) . . . . ?
C46 C47 N6 C49 177.3(3) . . . . ?
N3 Rh C50 N8 -129.4(2) . . . . ?
N1 Rh C50 N8 50.9(2) . . . . ?
N2 Rh C50 N8 -38.6(2) . . . . ?
N4 Rh C50 N8 141.2(2) . . . . ?
N3 Rh C50 N7 40.0(2) . . . . ?
N1 Rh C50 N7 -139.7(2) . . . . ?
N2 Rh C50 N7 130.8(2) . . . . ?
N4 Rh C50 N7 -49.4(2) . . . . ?
N8 C50 N7 C51 -0.8(4) . . . . ?
Rh C50 N7 C51 -172.3(3) . . . . ?
N8 C50 N7 C53 -177.3(3) . . . . ?
Rh C50 N7 C53 11.3(4) . . . . ?
C50 N7 C51 C52 1.1(5) . . . . ?
C53 N7 C51 C52 177.9(4) . . . . ?
N7 C51 C52 N8 -0.9(5) . . . . ?
N7 C50 N8 C52 0.2(3) . . . . ?
Rh C50 N8 C52 171.8(3) . . . . ?
N7 C50 N8 C54 -179.3(3) . . . . ?
Rh C50 N8 C54 -7.8(4) . . . . ?
C51 C52 N8 C50 0.4(5) . . . . ?
C51 C52 N8 C54 180.0(3) . . . . ?

_diffrn_measured_fraction_theta_max 0.885
_diffrn_reflns_theta_full        27.00
_diffrn_measured_fraction_theta_full 0.989
_refine_diff_density_max         0.584
_refine_diff_density_min         -0.580
_refine_diff_density_rms         0.077

# SQUEEZE RESULTS (APPEND TO CIF) 
# Note: Data are Listed for all Voids in the P1 Unit Cell 
# i.e. Centre of Gravity, Solvent Accessible Volume, 
# Recovered number of Electrons in the Void and 
# Details about the Squeezed Material 
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 -0.036 0.442 0.200 236 50 'C H Cl3'
2 0.000 0.000 0.500 136 33 '0.5 (C H Cl3)'
3 0.036 0.558 0.800 236 50 'C H Cl3'
4 0.464 0.058 0.700 236 50 'C H Cl3'
5 0.536 0.942 0.300 236 50 'C H Cl3'
6 0.500 0.500 0.000 136 33 '0.5 (C H Cl3)'
_platon_squeeze_details          
; 
 PLATON: A.L. Spek, J. Appl. Cryst. 36 (2003), 7-13 
 PLATON version from 27.07.2012 
;
_database_code_depnum_ccdc_archive 'CCDC 958623'
