# Electronic Supplementary Material (ESI) for Green Chemistry
# This journal is © The Royal Society of Chemistry 2011


data_global

_journal_coden_Cambridge         1048
_journal_volume                  ?
_journal_page_first              ?
_journal_year                    ?

loop_
_publ_author_name
'Smith, Gregory'

_publ_contact_author_name        'Dr Gregory Smith'
_publ_contact_author_email       Gregory.Smith@uct.ac.za

_publ_section_title              
;
Rh(I) complexes supported on a
sustainable biopolymer as recyclable and selective
hydroformylation catalysts

;

# Attachment '- BM50B_final.CIF.txt'

data_bm50b
_database_code_depnum_ccdc_archive 'CCDC 838557'
#TrackingRef '- BM50B_final.CIF.txt'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C26.50 H27 Cl2 N O P Rh'
_chemical_formula_weight         580.27

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'
P P 0.1023 0.0942 '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           Triclinic
_symmetry_space_group_name_H-M   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   9.7477(5)
_cell_length_b                   11.3212(6)
_cell_length_c                   12.8467(7)
_cell_angle_alpha                72.9480(10)
_cell_angle_beta                 88.6650(10)
_cell_angle_gamma                65.9030(10)
_cell_volume                     1229.69(11)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    30276
_cell_measurement_theta_min      2.07
_cell_measurement_theta_max      30.49

_exptl_crystal_description       ?
_exptl_crystal_colour            ?
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.05
_exptl_crystal_density_meas      'not measured'
_exptl_crystal_density_diffrn    1.567
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             590
_exptl_absorpt_coefficient_mu    0.997
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.9069
_exptl_absorpt_correction_T_max  0.9518
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2001)'

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      100(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 Duo Apex II Diffractometer'
_diffrn_measurement_method       '0.5\% \f scans and \w scans'
_diffrn_standards_number         n/a
_diffrn_standards_interval_count n/a
_diffrn_standards_interval_time  n/a
_diffrn_standards_decay_%        0
_diffrn_reflns_number            30276
_diffrn_reflns_av_R_equivalents  0.0308
_diffrn_reflns_av_sigmaI/netI    0.0279
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         2.07
_diffrn_reflns_theta_max         30.49
_reflns_number_total             7401
_reflns_number_gt                6672
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'COLLECT program (Nonius, 2000)'
_computing_cell_refinement       'DENZO-SMN (Otwinowski & Minor, 1997)'
_computing_data_reduction        'DENZO-SMN (Otwinowski & Minor, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'X-Seed (Barbour, 2001)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 2001)'

_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^)+(0.0301P)^2^+0.5486P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       none
_refine_ls_number_reflns         7401
_refine_ls_number_parameters     304
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.0288
_refine_ls_R_factor_gt           0.0243
_refine_ls_wR_factor_ref         0.0612
_refine_ls_wR_factor_gt          0.0590
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_restrained_S_all      1.041
_refine_ls_shift/su_max          0.002
_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 0.706383(12) 0.876763(11) 0.266956(9) 0.01045(4) Uani 1 1 d . . .
Cl1 Cl 0.73558(4) 1.07127(4) 0.14844(3) 0.01510(7) Uani 1 1 d . . .
Cl2 Cl 0.61370(6) 0.49939(5) 0.07211(4) 0.03386(11) Uani 1 1 d . . .
P1 P 0.64303(4) 0.71591(4) 0.36641(3) 0.01091(7) Uani 1 1 d . . .
O1 O 0.80100(15) 0.94287(13) 0.45267(10) 0.0235(3) Uani 1 1 d . . .
N1 N 0.64290(14) 0.83157(13) 0.13067(10) 0.0122(2) Uani 1 1 d . . .
C1 C 0.76511(17) 0.91430(16) 0.38286(13) 0.0153(3) Uani 1 1 d . . .
C2 C 0.52494(17) 0.81246(15) 0.11563(12) 0.0132(3) Uani 1 1 d . . .
H2 H 0.5069 0.8014 0.0475 0.016 Uiso 1 1 calc R . .
C3 C 0.41491(16) 0.80618(15) 0.19558(12) 0.0126(3) Uani 1 1 d . . .
C4 C 0.44976(16) 0.76644(15) 0.31025(12) 0.0125(3) Uani 1 1 d . . .
C5 C 0.33505(17) 0.76833(16) 0.37744(13) 0.0157(3) Uani 1 1 d . . .
H5 H 0.3575 0.7413 0.4546 0.019 Uiso 1 1 calc R . .
C6 C 0.18711(17) 0.80955(17) 0.33263(14) 0.0177(3) Uani 1 1 d . . .
H6 H 0.1093 0.8138 0.3793 0.021 Uiso 1 1 calc R . .
C7 C 0.15386(17) 0.84410(16) 0.22068(14) 0.0170(3) Uani 1 1 d . . .
H7 H 0.0538 0.8706 0.1904 0.020 Uiso 1 1 calc R . .
C8 C 0.26812(17) 0.83976(16) 0.15254(13) 0.0154(3) Uani 1 1 d . . .
H8 H 0.2463 0.8598 0.0760 0.018 Uiso 1 1 calc R . .
C9 C 0.74801(16) 0.54500(15) 0.35743(12) 0.0119(3) Uani 1 1 d . . .
C10 C 0.67728(17) 0.46449(16) 0.34479(13) 0.0148(3) Uani 1 1 d . . .
H10 H 0.5700 0.5006 0.3360 0.018 Uiso 1 1 calc R . .
C11 C 0.76307(18) 0.33103(16) 0.34501(13) 0.0167(3) Uani 1 1 d . . .
H11 H 0.7142 0.2770 0.3353 0.020 Uiso 1 1 calc R . .
C12 C 0.91949(18) 0.27739(16) 0.35932(13) 0.0163(3) Uani 1 1 d . . .
H12 H 0.9777 0.1860 0.3608 0.020 Uiso 1 1 calc R . .
C13 C 0.99165(17) 0.35708(16) 0.37148(13) 0.0169(3) Uani 1 1 d . . .
H13 H 1.0989 0.3202 0.3809 0.020 Uiso 1 1 calc R . .
C14 C 0.90647(17) 0.49087(16) 0.36980(13) 0.0153(3) Uani 1 1 d . . .
H14 H 0.9558 0.5456 0.3770 0.018 Uiso 1 1 calc R . .
C15 C 0.63505(16) 0.68643(15) 0.51335(12) 0.0123(3) Uani 1 1 d . . .
C16 C 0.70009(17) 0.55582(16) 0.58875(13) 0.0146(3) Uani 1 1 d . . .
H16 H 0.7471 0.4790 0.5636 0.018 Uiso 1 1 calc R . .
C17 C 0.69628(19) 0.53770(17) 0.70051(13) 0.0174(3) Uani 1 1 d . . .
H17 H 0.7413 0.4486 0.7514 0.021 Uiso 1 1 calc R . .
C18 C 0.62725(19) 0.64885(18) 0.73805(13) 0.0185(3) Uani 1 1 d . . .
H18 H 0.6255 0.6359 0.8145 0.022 Uiso 1 1 calc R . .
C19 C 0.56037(18) 0.77962(18) 0.66376(13) 0.0184(3) Uani 1 1 d . . .
H19 H 0.5119 0.8558 0.6894 0.022 Uiso 1 1 calc R . .
C20 C 0.56466(17) 0.79837(16) 0.55195(13) 0.0156(3) Uani 1 1 d . . .
H20 H 0.5196 0.8877 0.5014 0.019 Uiso 1 1 calc R . .
C21 C 0.75095(17) 0.82396(16) 0.04597(12) 0.0131(3) Uani 1 1 d . . .
H21 H 0.7674 0.9090 0.0273 0.016 Uiso 1 1 calc R . .
C22 C 0.90160(19) 0.7048(2) 0.09998(14) 0.0242(4) Uani 1 1 d . . .
H22A H 0.8894 0.6186 0.1198 0.029 Uiso 1 1 calc R . .
H22B H 0.9328 0.7159 0.1680 0.029 Uiso 1 1 calc R . .
C23 C 1.0238(2) 0.6985(3) 0.02215(16) 0.0439(6) Uani 1 1 d . . .
H23A H 1.0438 0.7804 0.0092 0.053 Uiso 1 1 calc R . .
H23B H 1.1186 0.6176 0.0567 0.053 Uiso 1 1 calc R . .
C24 C 0.9767(2) 0.6908(2) -0.08716(15) 0.0313(4) Uani 1 1 d . . .
H24A H 1.0547 0.6939 -0.1373 0.038 Uiso 1 1 calc R . .
H24B H 0.9690 0.6035 -0.0755 0.038 Uiso 1 1 calc R . .
C25 C 0.82561(18) 0.80807(17) -0.13894(13) 0.0172(3) Uani 1 1 d . . .
H25A H 0.7948 0.7982 -0.2077 0.021 Uiso 1 1 calc R . .
H25B H 0.8362 0.8950 -0.1575 0.021 Uiso 1 1 calc R . .
C26 C 0.70275(18) 0.81179(17) -0.06100(13) 0.0164(3) Uani 1 1 d . . .
H26A H 0.6061 0.8904 -0.0957 0.020 Uiso 1 1 calc R . .
H26B H 0.6870 0.7276 -0.0460 0.020 Uiso 1 1 calc R . .
C27 C 0.5644(4) 0.4160(4) -0.0010(3) 0.0214(7) Uani 0.50 1 d PD . .
H27A H 0.574(5) 0.327(2) 0.049(3) 0.026 Uiso 0.50 1 d PD . .
H27B H 0.627(4) 0.404(4) -0.062(2) 0.026 Uiso 0.50 1 d PD . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Rh1 0.01035(6) 0.01143(6) 0.00920(6) -0.00303(4) 0.00117(4) -0.00434(4)
Cl1 0.01893(17) 0.01444(16) 0.01222(16) -0.00216(13) 0.00169(13) -0.00865(14)
Cl2 0.0350(3) 0.0353(3) 0.0314(2) -0.0061(2) -0.0051(2) -0.0174(2)
P1 0.00999(16) 0.01207(17) 0.00960(16) -0.00281(13) 0.00111(13) -0.00398(13)
O1 0.0280(6) 0.0252(6) 0.0186(6) -0.0088(5) -0.0031(5) -0.0109(5)
N1 0.0126(6) 0.0124(6) 0.0102(6) -0.0031(5) 0.0025(4) -0.0043(5)
C1 0.0154(7) 0.0139(7) 0.0145(7) -0.0028(6) 0.0008(5) -0.0053(6)
C2 0.0138(6) 0.0138(7) 0.0108(6) -0.0036(5) 0.0020(5) -0.0048(5)
C3 0.0117(6) 0.0128(7) 0.0126(7) -0.0038(5) 0.0015(5) -0.0046(5)
C4 0.0108(6) 0.0125(6) 0.0129(7) -0.0035(5) 0.0013(5) -0.0038(5)
C5 0.0136(7) 0.0183(7) 0.0136(7) -0.0039(6) 0.0031(5) -0.0057(6)
C6 0.0125(7) 0.0211(8) 0.0191(8) -0.0055(6) 0.0055(6) -0.0075(6)
C7 0.0116(6) 0.0170(7) 0.0195(8) -0.0026(6) -0.0006(6) -0.0051(6)
C8 0.0140(7) 0.0161(7) 0.0142(7) -0.0022(6) -0.0004(5) -0.0063(6)
C9 0.0126(6) 0.0131(7) 0.0097(6) -0.0030(5) 0.0016(5) -0.0054(5)
C10 0.0123(6) 0.0178(7) 0.0152(7) -0.0057(6) 0.0022(5) -0.0067(6)
C11 0.0197(7) 0.0174(7) 0.0160(7) -0.0065(6) 0.0028(6) -0.0101(6)
C12 0.0179(7) 0.0143(7) 0.0144(7) -0.0046(6) 0.0025(6) -0.0043(6)
C13 0.0122(7) 0.0168(7) 0.0184(7) -0.0047(6) 0.0014(6) -0.0034(6)
C14 0.0136(7) 0.0160(7) 0.0162(7) -0.0044(6) 0.0011(5) -0.0064(6)
C15 0.0103(6) 0.0162(7) 0.0105(6) -0.0038(5) 0.0015(5) -0.0058(5)
C16 0.0156(7) 0.0161(7) 0.0131(7) -0.0041(6) 0.0016(5) -0.0079(6)
C17 0.0210(8) 0.0206(8) 0.0119(7) -0.0020(6) 0.0007(6) -0.0120(6)
C18 0.0211(8) 0.0268(8) 0.0124(7) -0.0077(6) 0.0041(6) -0.0137(7)
C19 0.0168(7) 0.0238(8) 0.0167(7) -0.0109(6) 0.0040(6) -0.0075(6)
C20 0.0142(7) 0.0164(7) 0.0146(7) -0.0054(6) 0.0018(5) -0.0044(6)
C21 0.0148(7) 0.0164(7) 0.0104(6) -0.0049(5) 0.0040(5) -0.0084(6)
C22 0.0137(7) 0.0373(10) 0.0130(7) -0.0077(7) 0.0016(6) -0.0023(7)
C23 0.0128(8) 0.0883(19) 0.0161(9) -0.0187(11) 0.0037(7) -0.0057(10)
C24 0.0226(9) 0.0423(11) 0.0146(8) -0.0102(8) 0.0056(7) 0.0009(8)
C25 0.0189(7) 0.0214(8) 0.0118(7) -0.0057(6) 0.0038(6) -0.0088(6)
C26 0.0166(7) 0.0227(8) 0.0116(7) -0.0066(6) 0.0027(6) -0.0092(6)
C27 0.0213(16) 0.0205(16) 0.0231(17) -0.0102(14) 0.0048(13) -0.0071(13)

_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 C1 1.8261(16) . ?
Rh1 N1 2.1318(13) . ?
Rh1 P1 2.2016(4) . ?
Rh1 Cl1 2.4028(4) . ?
Cl2 C27 1.707(4) . ?
Cl2 C27 1.723(4) 2_665 ?
P1 C9 1.8201(15) . ?
P1 C15 1.8237(15) . ?
P1 C4 1.8271(15) . ?
O1 C1 1.144(2) . ?
N1 C2 1.2823(19) . ?
N1 C21 1.4927(18) . ?
C2 C3 1.476(2) . ?
C2 H2 0.9500 . ?
C3 C8 1.402(2) . ?
C3 C4 1.413(2) . ?
C4 C5 1.394(2) . ?
C5 C6 1.400(2) . ?
C5 H5 0.9500 . ?
C6 C7 1.384(2) . ?
C6 H6 0.9500 . ?
C7 C8 1.394(2) . ?
C7 H7 0.9500 . ?
C8 H8 0.9500 . ?
C9 C10 1.392(2) . ?
C9 C14 1.403(2) . ?
C10 C11 1.396(2) . ?
C10 H10 0.9500 . ?
C11 C12 1.385(2) . ?
C11 H11 0.9500 . ?
C12 C13 1.393(2) . ?
C12 H12 0.9500 . ?
C13 C14 1.392(2) . ?
C13 H13 0.9500 . ?
C14 H14 0.9500 . ?
C15 C16 1.396(2) . ?
C15 C20 1.402(2) . ?
C16 C17 1.391(2) . ?
C16 H16 0.9500 . ?
C17 C18 1.385(2) . ?
C17 H17 0.9500 . ?
C18 C19 1.393(2) . ?
C18 H18 0.9500 . ?
C19 C20 1.391(2) . ?
C19 H19 0.9500 . ?
C20 H20 0.9500 . ?
C21 C26 1.524(2) . ?
C21 C22 1.529(2) . ?
C21 H21 1.0000 . ?
C22 C23 1.530(2) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 C24 1.525(3) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 C25 1.518(2) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C25 C26 1.538(2) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C27 Cl2 1.723(4) 2_665 ?
C27 C27 1.808(7) 2_665 ?
C27 H27A 0.990(10) . ?
C27 H27B 0.989(10) . ?

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
C1 Rh1 N1 178.71(6) . . ?
C1 Rh1 P1 95.68(5) . . ?
N1 Rh1 P1 84.91(4) . . ?
C1 Rh1 Cl1 87.95(5) . . ?
N1 Rh1 Cl1 91.62(4) . . ?
P1 Rh1 Cl1 171.327(14) . . ?
C27 Cl2 C27 63.6(2) . 2_665 ?
C9 P1 C15 102.95(7) . . ?
C9 P1 C4 104.75(7) . . ?
C15 P1 C4 104.99(7) . . ?
C9 P1 Rh1 117.34(5) . . ?
C15 P1 Rh1 120.65(5) . . ?
C4 P1 Rh1 104.55(5) . . ?
C2 N1 C21 119.29(13) . . ?
C2 N1 Rh1 127.00(10) . . ?
C21 N1 Rh1 113.71(9) . . ?
O1 C1 Rh1 177.23(14) . . ?
N1 C2 C3 125.33(14) . . ?
N1 C2 H2 117.3 . . ?
C3 C2 H2 117.3 . . ?
C8 C3 C4 119.38(13) . . ?
C8 C3 C2 116.40(13) . . ?
C4 C3 C2 124.21(13) . . ?
C5 C4 C3 118.98(13) . . ?
C5 C4 P1 121.75(12) . . ?
C3 C4 P1 119.27(11) . . ?
C4 C5 C6 120.85(15) . . ?
C4 C5 H5 119.6 . . ?
C6 C5 H5 119.6 . . ?
C7 C6 C5 120.23(14) . . ?
C7 C6 H6 119.9 . . ?
C5 C6 H6 119.9 . . ?
C6 C7 C8 119.59(14) . . ?
C6 C7 H7 120.2 . . ?
C8 C7 H7 120.2 . . ?
C7 C8 C3 120.81(14) . . ?
C7 C8 H8 119.6 . . ?
C3 C8 H8 119.6 . . ?
C10 C9 C14 119.32(14) . . ?
C10 C9 P1 122.51(11) . . ?
C14 C9 P1 118.08(11) . . ?
C9 C10 C11 120.37(14) . . ?
C9 C10 H10 119.8 . . ?
C11 C10 H10 119.8 . . ?
C12 C11 C10 120.01(14) . . ?
C12 C11 H11 120.0 . . ?
C10 C11 H11 120.0 . . ?
C11 C12 C13 120.19(15) . . ?
C11 C12 H12 119.9 . . ?
C13 C12 H12 119.9 . . ?
C12 C13 C14 119.97(14) . . ?
C12 C13 H13 120.0 . . ?
C14 C13 H13 120.0 . . ?
C13 C14 C9 120.13(14) . . ?
C13 C14 H14 119.9 . . ?
C9 C14 H14 119.9 . . ?
C16 C15 C20 119.01(14) . . ?
C16 C15 P1 121.91(11) . . ?
C20 C15 P1 119.06(12) . . ?
C17 C16 C15 120.27(15) . . ?
C17 C16 H16 119.9 . . ?
C15 C16 H16 119.9 . . ?
C18 C17 C16 120.37(15) . . ?
C18 C17 H17 119.8 . . ?
C16 C17 H17 119.8 . . ?
C17 C18 C19 120.01(15) . . ?
C17 C18 H18 120.0 . . ?
C19 C18 H18 120.0 . . ?
C20 C19 C18 119.85(15) . . ?
C20 C19 H19 120.1 . . ?
C18 C19 H19 120.1 . . ?
C19 C20 C15 120.48(15) . . ?
C19 C20 H20 119.8 . . ?
C15 C20 H20 119.8 . . ?
N1 C21 C26 116.83(12) . . ?
N1 C21 C22 107.04(12) . . ?
C26 C21 C22 110.63(13) . . ?
N1 C21 H21 107.3 . . ?
C26 C21 H21 107.3 . . ?
C22 C21 H21 107.3 . . ?
C21 C22 C23 110.50(15) . . ?
C21 C22 H22A 109.6 . . ?
C23 C22 H22A 109.6 . . ?
C21 C22 H22B 109.6 . . ?
C23 C22 H22B 109.6 . . ?
H22A C22 H22B 108.1 . . ?
C24 C23 C22 111.65(17) . . ?
C24 C23 H23A 109.3 . . ?
C22 C23 H23A 109.3 . . ?
C24 C23 H23B 109.3 . . ?
C22 C23 H23B 109.3 . . ?
H23A C23 H23B 108.0 . . ?
C25 C24 C23 110.86(16) . . ?
C25 C24 H24A 109.5 . . ?
C23 C24 H24A 109.5 . . ?
C25 C24 H24B 109.5 . . ?
C23 C24 H24B 109.5 . . ?
H24A C24 H24B 108.1 . . ?
C24 C25 C26 111.21(14) . . ?
C24 C25 H25A 109.4 . . ?
C26 C25 H25A 109.4 . . ?
C24 C25 H25B 109.4 . . ?
C26 C25 H25B 109.4 . . ?
H25A C25 H25B 108.0 . . ?
C21 C26 C25 109.69(12) . . ?
C21 C26 H26A 109.7 . . ?
C25 C26 H26A 109.7 . . ?
C21 C26 H26B 109.7 . . ?
C25 C26 H26B 109.7 . . ?
H26A C26 H26B 108.2 . . ?
Cl2 C27 Cl2 116.4(2) . 2_665 ?
Cl2 C27 C27 58.62(19) . 2_665 ?
Cl2 C27 C27 57.76(19) 2_665 2_665 ?
Cl2 C27 H27A 109(3) . . ?
Cl2 C27 H27A 108(3) 2_665 . ?
C27 C27 H27A 128(3) 2_665 . ?
Cl2 C27 H27B 111(3) . . ?
Cl2 C27 H27B 100(3) 2_665 . ?
C27 C27 H27B 121(3) 2_665 . ?
H27A C27 H27B 111(3) . . ?

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
C1 Rh1 P1 C9 -117.50(7) . . . . ?
N1 Rh1 P1 C9 61.35(6) . . . . ?
Cl1 Rh1 P1 C9 128.06(10) . . . . ?
C1 Rh1 P1 C15 9.34(8) . . . . ?
N1 Rh1 P1 C15 -171.81(7) . . . . ?
Cl1 Rh1 P1 C15 -105.10(10) . . . . ?
C1 Rh1 P1 C4 127.02(7) . . . . ?
N1 Rh1 P1 C4 -54.13(6) . . . . ?
Cl1 Rh1 P1 C4 12.58(11) . . . . ?
C1 Rh1 N1 C2 162(3) . . . . ?
P1 Rh1 N1 C2 44.32(13) . . . . ?
Cl1 Rh1 N1 C2 -127.71(13) . . . . ?
C1 Rh1 N1 C21 -19(3) . . . . ?
P1 Rh1 N1 C21 -136.29(10) . . . . ?
Cl1 Rh1 N1 C21 51.67(9) . . . . ?
N1 Rh1 C1 O1 85(4) . . . . ?
P1 Rh1 C1 O1 -158(3) . . . . ?
Cl1 Rh1 C1 O1 14(3) . . . . ?
C21 N1 C2 C3 174.94(13) . . . . ?
Rh1 N1 C2 C3 -5.7(2) . . . . ?
N1 C2 C3 C8 154.91(15) . . . . ?
N1 C2 C3 C4 -26.4(2) . . . . ?
C8 C3 C4 C5 -3.2(2) . . . . ?
C2 C3 C4 C5 178.13(14) . . . . ?
C8 C3 C4 P1 177.46(12) . . . . ?
C2 C3 C4 P1 -1.2(2) . . . . ?
C9 P1 C4 C5 104.44(13) . . . . ?
C15 P1 C4 C5 -3.65(15) . . . . ?
Rh1 P1 C4 C5 -131.58(12) . . . . ?
C9 P1 C4 C3 -76.28(13) . . . . ?
C15 P1 C4 C3 175.63(12) . . . . ?
Rh1 P1 C4 C3 47.70(12) . . . . ?
C3 C4 C5 C6 -0.4(2) . . . . ?
P1 C4 C5 C6 178.93(12) . . . . ?
C4 C5 C6 C7 2.5(2) . . . . ?
C5 C6 C7 C8 -1.0(2) . . . . ?
C6 C7 C8 C3 -2.6(2) . . . . ?
C4 C3 C8 C7 4.8(2) . . . . ?
C2 C3 C8 C7 -176.50(14) . . . . ?
C15 P1 C9 C10 91.07(13) . . . . ?
C4 P1 C9 C10 -18.51(14) . . . . ?
Rh1 P1 C9 C10 -133.88(11) . . . . ?
C15 P1 C9 C14 -85.41(13) . . . . ?
C4 P1 C9 C14 165.02(12) . . . . ?
Rh1 P1 C9 C14 49.65(13) . . . . ?
C14 C9 C10 C11 0.4(2) . . . . ?
P1 C9 C10 C11 -176.08(12) . . . . ?
C9 C10 C11 C12 0.9(2) . . . . ?
C10 C11 C12 C13 -1.2(2) . . . . ?
C11 C12 C13 C14 0.3(2) . . . . ?
C12 C13 C14 C9 0.9(2) . . . . ?
C10 C9 C14 C13 -1.2(2) . . . . ?
P1 C9 C14 C13 175.36(12) . . . . ?
C9 P1 C15 C16 -0.34(14) . . . . ?
C4 P1 C15 C16 109.05(13) . . . . ?
Rh1 P1 C15 C16 -133.50(11) . . . . ?
C9 P1 C15 C20 178.14(12) . . . . ?
C4 P1 C15 C20 -72.47(13) . . . . ?
Rh1 P1 C15 C20 44.98(14) . . . . ?
C20 C15 C16 C17 -0.7(2) . . . . ?
P1 C15 C16 C17 177.77(12) . . . . ?
C15 C16 C17 C18 0.4(2) . . . . ?
C16 C17 C18 C19 0.4(2) . . . . ?
C17 C18 C19 C20 -0.7(2) . . . . ?
C18 C19 C20 C15 0.4(2) . . . . ?
C16 C15 C20 C19 0.3(2) . . . . ?
P1 C15 C20 C19 -178.20(12) . . . . ?
C2 N1 C21 C26 7.7(2) . . . . ?
Rh1 N1 C21 C26 -171.72(10) . . . . ?
C2 N1 C21 C22 -116.88(16) . . . . ?
Rh1 N1 C21 C22 63.68(14) . . . . ?
N1 C21 C22 C23 -174.28(16) . . . . ?
C26 C21 C22 C23 57.4(2) . . . . ?
C21 C22 C23 C24 -55.5(3) . . . . ?
C22 C23 C24 C25 54.9(3) . . . . ?
C23 C24 C25 C26 -56.0(2) . . . . ?
N1 C21 C26 C25 178.89(13) . . . . ?
C22 C21 C26 C25 -58.34(17) . . . . ?
C24 C25 C26 C21 57.87(19) . . . . ?
C27 Cl2 C27 Cl2 0.0 2_665 . . 2_665 ?

_diffrn_measured_fraction_theta_max 0.989
_diffrn_reflns_theta_full        30.49
_diffrn_measured_fraction_theta_full 0.989
_refine_diff_density_max         0.909
_refine_diff_density_min         -0.738
_refine_diff_density_rms         0.077