# Electronic Supplementary Material (ESI) for Catalysis Science & Technology.
# 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 
#  to carry out CIF format checking respectively.
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data_ax0480abssq

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C78 H64 Cl2 O2 P4 Rh2'
_chemical_formula_weight         1433.89

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'
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           Monoclinic
_symmetry_space_group_name_H-M   C2/m

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

_cell_length_a                   29.9133(15)
_cell_length_b                   18.7802(9)
_cell_length_c                   19.2461(10)
_cell_angle_alpha                90.00
_cell_angle_beta                 114.8610(10)
_cell_angle_gamma                90.00
_cell_volume                     9810.1(9)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9842
_cell_measurement_theta_min      2.17
_cell_measurement_theta_max      29.59

_exptl_crystal_description       'part of block'
_exptl_crystal_colour            red
_exptl_crystal_size_max          0.47
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.24
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    0.971
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2928
_exptl_absorpt_coefficient_mu    0.488
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.8044
_exptl_absorpt_correction_T_max  0.8901
_exptl_absorpt_process_details   
;
'SADABS (Bruker, 2008)'
;
_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean 8.3333
_diffrn_reflns_number            81146
_diffrn_reflns_av_R_equivalents  0.0547
_diffrn_reflns_av_sigmaI/netI    0.0347
_diffrn_reflns_limit_h_min       -36
_diffrn_reflns_limit_h_max       36
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         1.32
_diffrn_reflns_theta_max         26.00
_reflns_number_total             9960
_reflns_number_gt                8138
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'APEX2 (Bruker, 2012)'
_computing_cell_refinement       'SAINT (Bruker, 2009)'
_computing_data_reduction        SAINT
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'

_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)+(0.0413P)²+0.0000P] 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         9960
_refine_ls_number_parameters     412
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0417
_refine_ls_R_factor_gt           0.0307
_refine_ls_wR_factor_ref         0.0735
_refine_ls_wR_factor_gt          0.0708
_refine_ls_goodness_of_fit_ref   1.017
_refine_ls_restrained_S_all      1.017
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.281618(8) 0.5000 0.178915(11) 0.02024(6) Uani 1 2 d S . .
Rh2 Rh 0.239857(8) 0.5000 0.328316(11) 0.02108(6) Uani 1 2 d S . .
Cl1 Cl 0.276500(19) 0.58167(2) 0.27209(3) 0.02835(12) Uani 1 1 d . . .
P1 P 0.273679(19) 0.40677(2) 0.10177(3) 0.02135(11) Uani 1 1 d . . .
P2 P 0.226330(19) 0.58971(3) 0.39152(3) 0.02308(11) Uani 1 1 d . . .
O1 O 0.27398(7) 0.5000 -0.01719(10) 0.0257(4) Uani 1 2 d S . .
O2 O 0.29062(7) 0.5000 0.51239(10) 0.0237(4) Uani 1 2 d S . .
C1 C 0.30370(7) 0.38806(10) 0.03733(11) 0.0245(4) Uani 1 1 d . . .
C2 C 0.32961(7) 0.32653(10) 0.03778(11) 0.0291(5) Uani 1 1 d . . .
H2 H 0.3319 0.2891 0.0723 0.035 Uiso 1 1 calc R . .
C3 C 0.35226(8) 0.31911(11) -0.01168(12) 0.0346(5) Uani 1 1 d . . .
H3 H 0.3695 0.2765 -0.0111 0.042 Uiso 1 1 calc R . .
C4 C 0.34994(8) 0.37344(11) -0.06206(12) 0.0354(5) Uani 1 1 d . . .
H4 H 0.3662 0.3680 -0.0948 0.043 Uiso 1 1 calc R . .
C5 C 0.32424(8) 0.43527(10) -0.06497(11) 0.0328(5) Uani 1 1 d . . .
C6 C 0.31954(14) 0.5000 -0.11589(18) 0.0401(8) Uani 1 2 d S . .
C7 C 0.35997(18) 0.5000 -0.1456(2) 0.0738(15) Uani 1 2 d S . .
H7A H 0.3570 0.5431 -0.1760 0.111 Uiso 0.50 1 calc PR . .
H7B H 0.3562 0.4579 -0.1776 0.111 Uiso 0.50 1 calc PR . .
H7C H 0.3924 0.4991 -0.1021 0.111 Uiso 1 2 calc SR . .
C8 C 0.26856(17) 0.5000 -0.18386(18) 0.0668(13) Uani 1 2 d S . .
H8A H 0.2680 0.5353 -0.2217 0.100 Uiso 0.50 1 calc PR . .
H8B H 0.2434 0.5120 -0.1658 0.100 Uiso 0.50 1 calc PR . .
H8C H 0.2618 0.4527 -0.2075 0.100 Uiso 0.50 1 calc PR . .
C9 C 0.30109(8) 0.43943(10) -0.01587(11) 0.0268(4) Uani 1 1 d . . .
C10 C 0.29121(7) 0.32416(10) 0.15785(10) 0.0246(4) Uani 1 1 d . . .
C11 C 0.33930(8) 0.31860(11) 0.21328(12) 0.0339(5) Uani 1 1 d . . .
H11 H 0.3619 0.3563 0.2201 0.041 Uiso 1 1 calc R . .
C12 C 0.35456(9) 0.25783(13) 0.25907(13) 0.0456(6) Uani 1 1 d . . .
H12 H 0.3875 0.2541 0.2967 0.055 Uiso 1 1 calc R . .
C13 C 0.32173(11) 0.20335(13) 0.24957(14) 0.0505(7) Uani 1 1 d . . .
H13 H 0.3319 0.1622 0.2810 0.061 Uiso 1 1 calc R . .
C14 C 0.27424(11) 0.20847(12) 0.19464(15) 0.0500(7) Uani 1 1 d . . .
H14 H 0.2518 0.1706 0.1881 0.060 Uiso 1 1 calc R . .
C15 C 0.25865(8) 0.26882(10) 0.14831(12) 0.0331(5) Uani 1 1 d . . .
H15 H 0.2257 0.2719 0.1103 0.040 Uiso 1 1 calc R . .
C16 C 0.20868(7) 0.39279(10) 0.03712(11) 0.0256(4) Uani 1 1 d . . .
C17 C 0.19274(8) 0.36740(11) -0.03711(11) 0.0332(5) Uani 1 1 d . . .
H17 H 0.2162 0.3555 -0.0565 0.040 Uiso 1 1 calc R . .
C18 C 0.14266(9) 0.35924(12) -0.08343(13) 0.0419(6) Uani 1 1 d . . .
H18 H 0.1322 0.3421 -0.1343 0.050 Uiso 1 1 calc R . .
C19 C 0.10853(9) 0.37572(13) -0.05625(14) 0.0470(6) Uani 1 1 d . . .
H19 H 0.0744 0.3706 -0.0883 0.056 Uiso 1 1 calc R . .
C20 C 0.12390(9) 0.40001(13) 0.01844(15) 0.0495(6) Uani 1 1 d . . .
H20 H 0.1003 0.4101 0.0381 0.059 Uiso 1 1 calc R . .
C21 C 0.17332(8) 0.40948(11) 0.06411(13) 0.0374(5) Uani 1 1 d . . .
H21 H 0.1835 0.4276 0.1146 0.045 Uiso 1 1 calc R . .
C22 C 0.28860(7) 0.61463(10) 0.45982(11) 0.0255(4) Uani 1 1 d . . .
C23 C 0.31415(8) 0.67609(10) 0.45797(12) 0.0326(5) Uani 1 1 d . . .
H23 H 0.2974 0.7138 0.4242 0.039 Uiso 1 1 calc R . .
C24 C 0.36394(8) 0.68244(11) 0.50522(13) 0.0389(5) Uani 1 1 d . . .
H24 H 0.3806 0.7253 0.5045 0.047 Uiso 1 1 calc R . .
C25 C 0.39002(8) 0.62757(12) 0.55364(12) 0.0371(5) Uani 1 1 d . . .
H25 H 0.4243 0.6327 0.5844 0.045 Uiso 1 1 calc R . .
C26 C 0.36610(7) 0.56510(10) 0.55722(11) 0.0284(4) Uani 1 1 d . . .
C27 C 0.38981(11) 0.5000 0.60709(16) 0.0326(7) Uani 1 2 d S . .
C28 C 0.44557(11) 0.5000 0.63716(19) 0.0431(8) Uani 1 2 d S . .
H28A H 0.4589 0.5432 0.6675 0.065 Uiso 0.50 1 calc PR . .
H28B H 0.4548 0.4989 0.5940 0.065 Uiso 1 2 calc SR . .
H28C H 0.4590 0.4580 0.6694 0.065 Uiso 0.50 1 calc PR . .
C29 C 0.37631(12) 0.5000 0.67643(16) 0.0396(8) Uani 1 2 d S . .
H29A H 0.3959 0.4639 0.7135 0.059 Uiso 0.50 1 calc PR . .
H29B H 0.3412 0.4891 0.6589 0.059 Uiso 0.50 1 calc PR . .
H29C H 0.3832 0.5470 0.7008 0.059 Uiso 0.50 1 calc PR . .
C30 C 0.31602(7) 0.56160(10) 0.51113(10) 0.0246(4) Uani 1 1 d . . .
C31 C 0.19091(8) 0.59066(10) 0.44968(11) 0.0302(5) Uani 1 1 d . . .
C32 C 0.21230(10) 0.59999(15) 0.52825(13) 0.0549(7) Uani 1 1 d . . .
H32 H 0.2471 0.6020 0.5553 0.066 Uiso 1 1 calc R . .
C33 C 0.18272(12) 0.60646(18) 0.56763(16) 0.0714(9) Uani 1 1 d . . .
H33 H 0.1978 0.6133 0.6215 0.086 Uiso 1 1 calc R . .
C34 C 0.13374(12) 0.60337(17) 0.53177(18) 0.0703(9) Uani 1 1 d . . .
H34 H 0.1142 0.6079 0.5597 0.084 Uiso 1 1 calc R . .
C35 C 0.11192(11) 0.5934(2) 0.4536(2) 0.0921(12) Uani 1 1 d . . .
H35 H 0.0771 0.5906 0.4272 0.111 Uiso 1 1 calc R . .
C36 C 0.14084(9) 0.58755(17) 0.41349(15) 0.0662(9) Uani 1 1 d . . .
H36 H 0.1254 0.5812 0.3595 0.079 Uiso 1 1 calc R . .
C37 C 0.20047(7) 0.67167(10) 0.33730(11) 0.0275(4) Uani 1 1 d . . .
C38 C 0.17901(8) 0.67059(11) 0.25773(11) 0.0323(5) Uani 1 1 d . . .
H38 H 0.1796 0.6281 0.2314 0.039 Uiso 1 1 calc R . .
C39 C 0.15668(9) 0.73117(12) 0.21651(13) 0.0426(6) Uani 1 1 d . . .
H39 H 0.1425 0.7301 0.1621 0.051 Uiso 1 1 calc R . .
C40 C 0.15506(9) 0.79270(12) 0.25403(14) 0.0462(6) Uani 1 1 d . . .
H40 H 0.1395 0.8340 0.2256 0.055 Uiso 1 1 calc R . .
C41 C 0.17619(9) 0.79450(12) 0.33334(13) 0.0442(6) Uani 1 1 d . . .
H41 H 0.1753 0.8371 0.3594 0.053 Uiso 1 1 calc R . .
C42 C 0.19833(8) 0.73470(11) 0.37415(12) 0.0365(5) Uani 1 1 d . . .
H42 H 0.2125 0.7362 0.4285 0.044 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
Rh1 P1 2.2428(5) . ?
Rh1 P1 2.2428(5) 6_565 ?
Rh1 Cl1 2.4130(5) . ?
Rh1 Cl1 2.4130(5) 6_565 ?
Rh2 P2 2.2126(5) . ?
Rh2 P2 2.2126(5) 6_565 ?
Rh2 Cl1 2.3920(5) . ?
Rh2 Cl1 2.3920(5) 6_565 ?
P1 C16 1.834(2) . ?
P1 C10 1.8361(19) . ?
P1 C1 1.8451(19) . ?
P2 C22 1.832(2) . ?
P2 C31 1.836(2) . ?
P2 C37 1.838(2) . ?
O1 C9 1.391(2) 6_565 ?
O1 C9 1.391(2) . ?
O2 C30 1.390(2) . ?
O2 C30 1.390(2) 6_565 ?
C1 C9 1.385(3) . ?
C1 C2 1.389(3) . ?
C2 C3 1.388(3) . ?
C2 H2 0.9500 . ?
C3 C4 1.389(3) . ?
C3 H3 0.9500 . ?
C4 C5 1.381(3) . ?
C4 H4 0.9500 . ?
C5 C9 1.389(3) . ?
C5 C6 1.530(3) . ?
C6 C5 1.530(3) 6_565 ?
C6 C8 1.536(5) . ?
C6 C7 1.540(5) . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C10 C15 1.383(3) . ?
C10 C11 1.388(3) . ?
C11 C12 1.396(3) . ?
C11 H11 0.9500 . ?
C12 C13 1.376(4) . ?
C12 H12 0.9500 . ?
C13 C14 1.372(4) . ?
C13 H13 0.9500 . ?
C14 C15 1.396(3) . ?
C14 H14 0.9500 . ?
C15 H15 0.9500 . ?
C16 C17 1.387(3) . ?
C16 C21 1.396(3) . ?
C17 C18 1.393(3) . ?
C17 H17 0.9500 . ?
C18 C19 1.364(3) . ?
C18 H18 0.9500 . ?
C19 C20 1.389(3) . ?
C19 H19 0.9500 . ?
C20 C21 1.377(3) . ?
C20 H20 0.9500 . ?
C21 H21 0.9500 . ?
C22 C23 1.393(3) . ?
C22 C30 1.400(3) . ?
C23 C24 1.386(3) . ?
C23 H23 0.9500 . ?
C24 C25 1.388(3) . ?
C24 H24 0.9500 . ?
C25 C26 1.391(3) . ?
C25 H25 0.9500 . ?
C26 C30 1.385(3) . ?
C26 C27 1.532(3) . ?
C27 C28 1.518(4) . ?
C27 C26 1.532(3) 6_565 ?
C27 C29 1.548(4) . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C31 C36 1.362(3) . ?
C31 C32 1.383(3) . ?
C32 C33 1.392(3) . ?
C32 H32 0.9500 . ?
C33 C34 1.332(4) . ?
C33 H33 0.9500 . ?
C34 C35 1.378(4) . ?
C34 H34 0.9500 . ?
C35 C36 1.385(4) . ?
C35 H35 0.9500 . ?
C36 H36 0.9500 . ?
C37 C38 1.390(3) . ?
C37 C42 1.395(3) . ?
C38 C39 1.387(3) . ?
C38 H38 0.9500 . ?
C39 C40 1.374(3) . ?
C39 H39 0.9500 . ?
C40 C41 1.386(3) . ?
C40 H40 0.9500 . ?
C41 C42 1.371(3) . ?
C41 H41 0.9500 . ?
C42 H42 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
P1 Rh1 P1 102.64(3) . 6_565 ?
P1 Rh1 Cl1 165.034(18) . . ?
P1 Rh1 Cl1 88.493(16) 6_565 . ?
P1 Rh1 Cl1 88.493(16) . 6_565 ?
P1 Rh1 Cl1 165.034(18) 6_565 6_565 ?
Cl1 Rh1 Cl1 78.93(2) . 6_565 ?
P2 Rh2 P2 99.18(3) . 6_565 ?
P2 Rh2 Cl1 89.140(17) . . ?
P2 Rh2 Cl1 164.03(2) 6_565 . ?
P2 Rh2 Cl1 164.03(2) . 6_565 ?
P2 Rh2 Cl1 89.140(17) 6_565 6_565 ?
Cl1 Rh2 Cl1 79.76(2) . 6_565 ?
Rh2 Cl1 Rh1 96.487(17) . . ?
C16 P1 C10 103.72(9) . . ?
C16 P1 C1 101.16(9) . . ?
C10 P1 C1 97.74(8) . . ?
C16 P1 Rh1 110.36(6) . . ?
C10 P1 Rh1 110.24(6) . . ?
C1 P1 Rh1 130.37(6) . . ?
C22 P2 C31 103.48(9) . . ?
C22 P2 C37 104.57(9) . . ?
C31 P2 C37 97.18(9) . . ?
C22 P2 Rh2 102.90(6) . . ?
C31 P2 Rh2 128.92(7) . . ?
C37 P2 Rh2 117.14(6) . . ?
C9 O1 C9 109.7(2) 6_565 . ?
C30 O2 C30 112.70(19) . 6_565 ?
C9 C1 C2 116.22(17) . . ?
C9 C1 P1 118.18(14) . . ?
C2 C1 P1 125.59(15) . . ?
C3 C2 C1 120.73(19) . . ?
C3 C2 H2 119.6 . . ?
C1 C2 H2 119.6 . . ?
C2 C3 C4 120.63(19) . . ?
C2 C3 H3 119.7 . . ?
C4 C3 H3 119.7 . . ?
C5 C4 C3 120.64(18) . . ?
C5 C4 H4 119.7 . . ?
C3 C4 H4 119.7 . . ?
C4 C5 C9 116.62(18) . . ?
C4 C5 C6 126.43(19) . . ?
C9 C5 C6 116.95(19) . . ?
C5 C6 C5 105.2(2) 6_565 . ?
C5 C6 C8 109.7(2) 6_565 . ?
C5 C6 C8 109.7(2) . . ?
C5 C6 C7 111.3(2) 6_565 . ?
C5 C6 C7 111.3(2) . . ?
C8 C6 C7 109.7(3) . . ?
C6 C7 H7A 109.5 . . ?
C6 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C6 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C6 C8 H8A 109.5 . . ?
C6 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C6 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C1 C9 C5 125.08(18) . . ?
C1 C9 O1 115.73(16) . . ?
C5 C9 O1 119.16(17) . . ?
C15 C10 C11 119.32(18) . . ?
C15 C10 P1 123.09(15) . . ?
C11 C10 P1 117.57(15) . . ?
C10 C11 C12 120.3(2) . . ?
C10 C11 H11 119.8 . . ?
C12 C11 H11 119.8 . . ?
C13 C12 C11 119.9(2) . . ?
C13 C12 H12 120.1 . . ?
C11 C12 H12 120.1 . . ?
C14 C13 C12 120.0(2) . . ?
C14 C13 H13 120.0 . . ?
C12 C13 H13 120.0 . . ?
C13 C14 C15 120.6(2) . . ?
C13 C14 H14 119.7 . . ?
C15 C14 H14 119.7 . . ?
C10 C15 C14 119.9(2) . . ?
C10 C15 H15 120.1 . . ?
C14 C15 H15 120.1 . . ?
C17 C16 C21 118.33(19) . . ?
C17 C16 P1 123.73(16) . . ?
C21 C16 P1 117.94(15) . . ?
C16 C17 C18 120.6(2) . . ?
C16 C17 H17 119.7 . . ?
C18 C17 H17 119.7 . . ?
C19 C18 C17 120.4(2) . . ?
C19 C18 H18 119.8 . . ?
C17 C18 H18 119.8 . . ?
C18 C19 C20 119.7(2) . . ?
C18 C19 H19 120.1 . . ?
C20 C19 H19 120.1 . . ?
C21 C20 C19 120.2(2) . . ?
C21 C20 H20 119.9 . . ?
C19 C20 H20 119.9 . . ?
C20 C21 C16 120.8(2) . . ?
C20 C21 H21 119.6 . . ?
C16 C21 H21 119.6 . . ?
C23 C22 C30 116.26(18) . . ?
C23 C22 P2 126.62(16) . . ?
C30 C22 P2 116.22(14) . . ?
C24 C23 C22 120.30(19) . . ?
C24 C23 H23 119.9 . . ?
C22 C23 H23 119.9 . . ?
C23 C24 C25 121.5(2) . . ?
C23 C24 H24 119.3 . . ?
C25 C24 H24 119.3 . . ?
C24 C25 C26 120.2(2) . . ?
C24 C25 H25 119.9 . . ?
C26 C25 H25 119.9 . . ?
C30 C26 C25 116.66(19) . . ?
C30 C26 C27 117.04(18) . . ?
C25 C26 C27 126.3(2) . . ?
C28 C27 C26 112.57(16) . 6_565 ?
C28 C27 C26 112.57(16) . . ?
C26 C27 C26 105.9(2) 6_565 . ?
C28 C27 C29 108.3(2) . . ?
C26 C27 C29 108.68(16) 6_565 . ?
C26 C27 C29 108.68(16) . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C27 C29 H29A 109.5 . . ?
C27 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C27 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C26 C30 O2 118.71(17) . . ?
C26 C30 C22 124.99(18) . . ?
O2 C30 C22 116.24(17) . . ?
C36 C31 C32 117.9(2) . . ?
C36 C31 P2 118.69(17) . . ?
C32 C31 P2 123.19(17) . . ?
C31 C32 C33 119.9(2) . . ?
C31 C32 H32 120.0 . . ?
C33 C32 H32 120.0 . . ?
C34 C33 C32 121.8(3) . . ?
C34 C33 H33 119.1 . . ?
C32 C33 H33 119.1 . . ?
C33 C34 C35 119.0(3) . . ?
C33 C34 H34 120.5 . . ?
C35 C34 H34 120.5 . . ?
C34 C35 C36 119.9(3) . . ?
C34 C35 H35 120.0 . . ?
C36 C35 H35 120.0 . . ?
C31 C36 C35 121.5(2) . . ?
C31 C36 H36 119.3 . . ?
C35 C36 H36 119.3 . . ?
C38 C37 C42 118.28(18) . . ?
C38 C37 P2 120.18(15) . . ?
C42 C37 P2 121.35(15) . . ?
C39 C38 C37 120.44(19) . . ?
C39 C38 H38 119.8 . . ?
C37 C38 H38 119.8 . . ?
C40 C39 C38 120.3(2) . . ?
C40 C39 H39 119.9 . . ?
C38 C39 H39 119.9 . . ?
C39 C40 C41 119.9(2) . . ?
C39 C40 H40 120.0 . . ?
C41 C40 H40 120.0 . . ?
C42 C41 C40 119.9(2) . . ?
C42 C41 H41 120.1 . . ?
C40 C41 H41 120.1 . . ?
C41 C42 C37 121.2(2) . . ?
C41 C42 H42 119.4 . . ?
C37 C42 H42 119.4 . . ?

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
P2 Rh2 Cl1 Rh1 -169.76(2) . . . . ?
P2 Rh2 Cl1 Rh1 68.41(7) 6_565 . . . ?
Cl1 Rh2 Cl1 Rh1 21.78(2) 6_565 . . . ?
P1 Rh1 Cl1 Rh2 11.67(9) . . . . ?
P1 Rh1 Cl1 Rh2 150.20(2) 6_565 . . . ?
Cl1 Rh1 Cl1 Rh2 -21.65(3) 6_565 . . . ?
P1 Rh1 P1 C16 -77.34(7) 6_565 . . . ?
Cl1 Rh1 P1 C16 59.93(10) . . . . ?
Cl1 Rh1 P1 C16 92.56(7) 6_565 . . . ?
P1 Rh1 P1 C10 168.68(7) 6_565 . . . ?
Cl1 Rh1 P1 C10 -54.05(11) . . . . ?
Cl1 Rh1 P1 C10 -21.42(7) 6_565 . . . ?
P1 Rh1 P1 C1 48.56(9) 6_565 . . . ?
Cl1 Rh1 P1 C1 -174.17(10) . . . . ?
Cl1 Rh1 P1 C1 -141.54(8) 6_565 . . . ?
P2 Rh2 P2 C22 97.77(6) 6_565 . . . ?
Cl1 Rh2 P2 C22 -68.53(6) . . . . ?
Cl1 Rh2 P2 C22 -22.85(10) 6_565 . . . ?
P2 Rh2 P2 C31 -21.72(10) 6_565 . . . ?
Cl1 Rh2 P2 C31 171.98(9) . . . . ?
Cl1 Rh2 P2 C31 -142.34(10) 6_565 . . . ?
P2 Rh2 P2 C37 -148.18(7) 6_565 . . . ?
Cl1 Rh2 P2 C37 45.52(8) . . . . ?
Cl1 Rh2 P2 C37 91.20(10) 6_565 . . . ?
C16 P1 C1 C9 76.13(17) . . . . ?
C10 P1 C1 C9 -178.16(16) . . . . ?
Rh1 P1 C1 C9 -53.15(19) . . . . ?
C16 P1 C1 C2 -104.67(18) . . . . ?
C10 P1 C1 C2 1.04(19) . . . . ?
Rh1 P1 C1 C2 126.05(15) . . . . ?
C9 C1 C2 C3 1.5(3) . . . . ?
P1 C1 C2 C3 -177.71(16) . . . . ?
C1 C2 C3 C4 0.7(3) . . . . ?
C2 C3 C4 C5 -1.3(3) . . . . ?
C3 C4 C5 C9 -0.4(3) . . . . ?
C3 C4 C5 C6 178.4(2) . . . . ?
C4 C5 C6 C5 -139.09(19) . . . 6_565 ?
C9 C5 C6 C5 39.8(3) . . . 6_565 ?
C4 C5 C6 C8 103.1(3) . . . . ?
C9 C5 C6 C8 -78.1(3) . . . . ?
C4 C5 C6 C7 -18.5(4) . . . . ?
C9 C5 C6 C7 160.4(2) . . . . ?
C2 C1 C9 C5 -3.5(3) . . . . ?
P1 C1 C9 C5 175.82(17) . . . . ?
C2 C1 C9 O1 178.38(17) . . . . ?
P1 C1 C9 O1 -2.3(2) . . . . ?
C4 C5 C9 C1 2.9(3) . . . . ?
C6 C5 C9 C1 -176.0(2) . . . . ?
C4 C5 C9 O1 -178.95(19) . . . . ?
C6 C5 C9 O1 2.1(3) . . . . ?
C9 O1 C9 C1 131.19(16) 6_565 . . . ?
C9 O1 C9 C5 -47.1(3) 6_565 . . . ?
C16 P1 C10 C15 -1.01(18) . . . . ?
C1 P1 C10 C15 -104.56(17) . . . . ?
Rh1 P1 C10 C15 117.12(15) . . . . ?
C16 P1 C10 C11 -179.61(15) . . . . ?
C1 P1 C10 C11 76.84(16) . . . . ?
Rh1 P1 C10 C11 -61.47(16) . . . . ?
C15 C10 C11 C12 -0.2(3) . . . . ?
P1 C10 C11 C12 178.45(16) . . . . ?
C10 C11 C12 C13 -0.4(3) . . . . ?
C11 C12 C13 C14 0.7(4) . . . . ?
C12 C13 C14 C15 -0.4(4) . . . . ?
C11 C10 C15 C14 0.5(3) . . . . ?
P1 C10 C15 C14 -178.08(16) . . . . ?
C13 C14 C15 C10 -0.2(3) . . . . ?
C10 P1 C16 C17 -95.17(17) . . . . ?
C1 P1 C16 C17 5.75(18) . . . . ?
Rh1 P1 C16 C17 146.77(15) . . . . ?
C10 P1 C16 C21 85.57(17) . . . . ?
C1 P1 C16 C21 -173.50(16) . . . . ?
Rh1 P1 C16 C21 -32.48(17) . . . . ?
C21 C16 C17 C18 0.3(3) . . . . ?
P1 C16 C17 C18 -178.90(16) . . . . ?
C16 C17 C18 C19 -0.4(3) . . . . ?
C17 C18 C19 C20 -0.8(4) . . . . ?
C18 C19 C20 C21 2.0(4) . . . . ?
C19 C20 C21 C16 -2.0(4) . . . . ?
C17 C16 C21 C20 0.9(3) . . . . ?
P1 C16 C21 C20 -179.83(18) . . . . ?
C31 P2 C22 C23 -115.16(18) . . . . ?
C37 P2 C22 C23 -13.91(19) . . . . ?
Rh2 P2 C22 C23 108.98(17) . . . . ?
C31 P2 C22 C30 76.14(16) . . . . ?
C37 P2 C22 C30 177.39(14) . . . . ?
Rh2 P2 C22 C30 -59.72(14) . . . . ?
C30 C22 C23 C24 -0.1(3) . . . . ?
P2 C22 C23 C24 -168.75(16) . . . . ?
C22 C23 C24 C25 2.0(3) . . . . ?
C23 C24 C25 C26 -1.7(3) . . . . ?
C24 C25 C26 C30 -0.5(3) . . . . ?
C24 C25 C26 C27 179.5(2) . . . . ?
C30 C26 C27 C28 163.6(2) . . . . ?
C25 C26 C27 C28 -16.4(3) . . . . ?
C30 C26 C27 C26 40.2(3) . . . 6_565 ?
C25 C26 C27 C26 -139.83(17) . . . 6_565 ?
C30 C26 C27 C29 -76.5(2) . . . . ?
C25 C26 C27 C29 103.6(3) . . . . ?
C25 C26 C30 O2 179.55(17) . . . . ?
C27 C26 C30 O2 -0.4(3) . . . . ?
C25 C26 C30 C22 2.6(3) . . . . ?
C27 C26 C30 C22 -177.41(19) . . . . ?
C30 O2 C30 C26 -43.5(3) 6_565 . . . ?
C30 O2 C30 C22 133.73(15) 6_565 . . . ?
C23 C22 C30 C26 -2.3(3) . . . . ?
P2 C22 C30 C26 167.59(15) . . . . ?
C23 C22 C30 O2 -179.35(16) . . . . ?
P2 C22 C30 O2 -9.5(2) . . . . ?
C22 P2 C31 C36 167.7(2) . . . . ?
C37 P2 C31 C36 60.8(2) . . . . ?
Rh2 P2 C31 C36 -73.0(2) . . . . ?
C22 P2 C31 C32 -7.0(2) . . . . ?
C37 P2 C31 C32 -114.0(2) . . . . ?
Rh2 P2 C31 C32 112.21(19) . . . . ?
C36 C31 C32 C33 -0.5(4) . . . . ?
P2 C31 C32 C33 174.3(2) . . . . ?
C31 C32 C33 C34 0.5(5) . . . . ?
C32 C33 C34 C35 0.1(5) . . . . ?
C33 C34 C35 C36 -0.6(6) . . . . ?
C32 C31 C36 C35 0.0(5) . . . . ?
P2 C31 C36 C35 -175.1(3) . . . . ?
C34 C35 C36 C31 0.6(6) . . . . ?
C22 P2 C37 C38 129.06(17) . . . . ?
C31 P2 C37 C38 -124.95(18) . . . . ?
Rh2 P2 C37 C38 16.0(2) . . . . ?
C22 P2 C37 C42 -55.99(19) . . . . ?
C31 P2 C37 C42 50.00(19) . . . . ?
Rh2 P2 C37 C42 -169.10(15) . . . . ?
C42 C37 C38 C39 0.8(3) . . . . ?
P2 C37 C38 C39 175.93(17) . . . . ?
C37 C38 C39 C40 -0.8(4) . . . . ?
C38 C39 C40 C41 0.6(4) . . . . ?
C39 C40 C41 C42 -0.5(4) . . . . ?
C40 C41 C42 C37 0.6(4) . . . . ?
C38 C37 C42 C41 -0.7(3) . . . . ?
P2 C37 C42 C41 -175.78(18) . . . . ?

_diffrn_measured_fraction_theta_max 1.000
_diffrn_reflns_theta_full        26.00
_diffrn_measured_fraction_theta_full 1.000
_refine_diff_density_max         1.061
_refine_diff_density_min         -0.618
_refine_diff_density_rms         0.058

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
1 0.000 -0.025 0.000 2021.0 640.2
2 0.236 0.000 0.344 6.9 0.1
3 0.500 -0.012 0.307 2021.0 640.2
4 0.764 0.000 0.656 6.9 -0.1
5 0.264 0.500 0.656 6.9 -0.1
6 0.736 0.500 0.344 6.9 0.1
_platon_squeeze_details          
;
;
_database_code_depnum_ccdc_archive 'CCDC 996813'
#######################################################################
#
#                 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_ax0555abs2

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C50 H47 Cl O2 P2 Rh'
_chemical_formula_weight         880.18

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh 0.0927 3.6045 '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                   10.1367(13)
_cell_length_b                   10.1518(13)
_cell_length_c                   21.075(3)
_cell_angle_alpha                93.865(5)
_cell_angle_beta                 102.017(5)
_cell_angle_gamma                108.917(5)
_cell_volume                     1985.2(4)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9985
_cell_measurement_theta_min      4.34
_cell_measurement_theta_max      68.40

_exptl_crystal_description       'part of prism'
_exptl_crystal_colour            red
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.06
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.472
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             910
_exptl_absorpt_coefficient_mu    5.182
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
'SADABS (Bruker, 2008)'
;
_exptl_absorpt_correction_T_min  0.3268
_exptl_absorpt_correction_T_max  0.7462

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            28612
_diffrn_reflns_av_R_equivalents  0.0315
_diffrn_reflns_av_sigmaI/netI    0.0231
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         2.17
_diffrn_reflns_theta_max         63.69
_reflns_number_total             6482
_reflns_number_gt                6327
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'APEX2 (Bruker, 2012)'
_computing_cell_refinement       'SAINT (Bruker, 2009)'
_computing_data_reduction        SAINT
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'

_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)+(0.0244P)²+2.9080P] 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         6482
_refine_ls_number_parameters     508
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0291
_refine_ls_R_factor_gt           0.0285
_refine_ls_wR_factor_ref         0.0704
_refine_ls_wR_factor_gt          0.0701
_refine_ls_goodness_of_fit_ref   1.098
_refine_ls_restrained_S_all      1.098
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.446391(19) 0.211166(19) 0.272430(8) 0.01721(7) Uani 1 1 d . . .
Cl1 Cl 0.60212(7) 0.46086(6) 0.29919(3) 0.02694(14) Uani 1 1 d . . .
P1 P 0.36124(6) 0.24900(6) 0.16639(3) 0.01665(13) Uani 1 1 d . . .
P2 P 0.25477(7) 0.23988(7) 0.32490(3) 0.01828(14) Uani 1 1 d . . .
O1 O 0.08950(18) 0.10705(17) 0.19637(8) 0.0193(4) Uani 1 1 d . . .
C1 C 0.2169(3) 0.0930(3) 0.11659(12) 0.0186(5) Uani 1 1 d . . .
C2 C 0.2251(3) 0.0205(3) 0.05980(12) 0.0204(5) Uani 1 1 d . . .
H2 H 0.3063 0.0565 0.0421 0.025 Uiso 1 1 calc R . .
C3 C 0.1155(3) -0.1040(3) 0.02888(12) 0.0231(5) Uani 1 1 d . . .
H3 H 0.1214 -0.1508 -0.0104 0.028 Uiso 1 1 calc R . .
C4 C -0.0021(3) -0.1607(3) 0.05463(12) 0.0220(5) Uani 1 1 d . . .
H4 H -0.0757 -0.2461 0.0329 0.026 Uiso 1 1 calc R . .
C5 C -0.0137(3) -0.0939(3) 0.11202(12) 0.0199(5) Uani 1 1 d . . .
C6 C 0.0957(3) 0.0326(3) 0.14050(12) 0.0184(5) Uani 1 1 d . . .
C7 C 0.0305(3) 0.0252(3) 0.24054(12) 0.0191(5) Uani 1 1 d . . .
C8 C 0.0937(3) 0.0798(3) 0.30636(12) 0.0198(5) Uani 1 1 d . . .
C9 C 0.0309(3) 0.0037(3) 0.35192(13) 0.0246(6) Uani 1 1 d . . .
H9 H 0.0682 0.0377 0.3975 0.029 Uiso 1 1 calc R . .
C10 C -0.0853(3) -0.1210(3) 0.33103(13) 0.0263(6) Uani 1 1 d . . .
H10 H -0.1274 -0.1708 0.3625 0.032 Uiso 1 1 calc R . .
C11 C -0.1408(3) -0.1739(3) 0.26510(13) 0.0238(6) Uani 1 1 d . . .
H11 H -0.2187 -0.2608 0.2519 0.029 Uiso 1 1 calc R . .
C12 C -0.0832(3) -0.1008(3) 0.21782(12) 0.0205(5) Uani 1 1 d . . .
C13 C -0.1401(3) -0.1462(3) 0.14395(13) 0.0233(6) Uani 1 1 d . . .
C14 C -0.2499(3) -0.0734(3) 0.11852(14) 0.0314(6) Uani 1 1 d . . .
H14A H -0.3308 -0.1044 0.1391 0.047 Uiso 1 1 calc R . .
H14B H -0.2851 -0.0987 0.0708 0.047 Uiso 1 1 calc R . .
H14C H -0.2029 0.0289 0.1296 0.047 Uiso 1 1 calc R . .
C15 C -0.2137(3) -0.3061(3) 0.12681(15) 0.0349(7) Uani 1 1 d . . .
H15A H -0.1442 -0.3522 0.1424 0.052 Uiso 1 1 calc R . .
H15B H -0.2501 -0.3316 0.0792 0.052 Uiso 1 1 calc R . .
H15C H -0.2939 -0.3370 0.1479 0.052 Uiso 1 1 calc R . .
C16 C 0.2966(3) 0.3953(3) 0.14871(12) 0.0189(5) Uani 1 1 d . . .
C17 C 0.4002(3) 0.5308(3) 0.16323(13) 0.0233(5) Uani 1 1 d . . .
H17 H 0.4977 0.5432 0.1826 0.028 Uiso 1 1 calc R . .
C18 C 0.3618(3) 0.6467(3) 0.14961(14) 0.0278(6) Uani 1 1 d . . .
H18 H 0.4331 0.7381 0.1595 0.033 Uiso 1 1 calc R . .
C19 C 0.2203(3) 0.6304(3) 0.12176(14) 0.0318(6) Uani 1 1 d . . .
H19 H 0.1943 0.7102 0.1125 0.038 Uiso 1 1 calc R . .
C20 C 0.1173(3) 0.4976(3) 0.10752(15) 0.0338(7) Uani 1 1 d . . .
H20 H 0.0200 0.4863 0.0884 0.041 Uiso 1 1 calc R . .
C21 C 0.1545(3) 0.3799(3) 0.12088(13) 0.0257(6) Uani 1 1 d . . .
H21 H 0.0825 0.2890 0.1110 0.031 Uiso 1 1 calc R . .
C22 C 0.4965(3) 0.2851(3) 0.11770(12) 0.0198(5) Uani 1 1 d . . .
C23 C 0.6318(3) 0.2792(3) 0.14317(13) 0.0235(6) Uani 1 1 d . . .
H23 H 0.6544 0.2566 0.1862 0.028 Uiso 1 1 calc R . .
C24 C 0.7344(3) 0.3057(3) 0.10686(14) 0.0291(6) Uani 1 1 d . . .
H24 H 0.8269 0.3021 0.1250 0.035 Uiso 1 1 calc R . .
C25 C 0.7016(3) 0.3377(3) 0.04392(14) 0.0287(6) Uani 1 1 d . . .
H25 H 0.7710 0.3537 0.0185 0.034 Uiso 1 1 calc R . .
C26 C 0.5673(3) 0.3462(3) 0.01795(13) 0.0262(6) Uani 1 1 d . . .
H26 H 0.5452 0.3693 -0.0250 0.031 Uiso 1 1 calc R . .
C27 C 0.4661(3) 0.3211(3) 0.05486(12) 0.0236(6) Uani 1 1 d . . .
H27 H 0.3749 0.3285 0.0373 0.028 Uiso 1 1 calc R . .
C28 C 0.1736(3) 0.3728(3) 0.30255(12) 0.0207(5) Uani 1 1 d . . .
C29 C 0.2635(3) 0.5043(3) 0.29483(13) 0.0251(6) Uani 1 1 d . . .
H29 H 0.3630 0.5214 0.2989 0.030 Uiso 1 1 calc R . .
C30 C 0.2082(3) 0.6099(3) 0.28126(15) 0.0307(6) Uani 1 1 d . . .
H30 H 0.2702 0.6995 0.2763 0.037 Uiso 1 1 calc R . .
C31 C 0.0635(3) 0.5867(3) 0.27476(15) 0.0332(7) Uani 1 1 d . . .
H31 H 0.0265 0.6599 0.2653 0.040 Uiso 1 1 calc R . .
C32 C -0.0268(3) 0.4570(3) 0.28210(15) 0.0333(7) Uani 1 1 d . . .
H32 H -0.1262 0.4406 0.2777 0.040 Uiso 1 1 calc R . .
C33 C 0.0278(3) 0.3502(3) 0.29597(14) 0.0282(6) Uani 1 1 d . . .
H33 H -0.0347 0.2610 0.3010 0.034 Uiso 1 1 calc R . .
C34 C 0.2987(3) 0.2750(3) 0.41471(13) 0.0252(6) Uani 1 1 d . . .
C35 C 0.2990(3) 0.3976(3) 0.44879(14) 0.0344(7) Uani 1 1 d . . .
H35 H 0.2728 0.4656 0.4253 0.041 Uiso 1 1 calc R . .
C36 C 0.3374(4) 0.4211(4) 0.51682(15) 0.0417(8) Uani 1 1 d . . .
H36 H 0.3369 0.5050 0.5394 0.050 Uiso 1 1 calc R . .
C37 C 0.3761(3) 0.3247(4) 0.55193(15) 0.0423(8) Uani 1 1 d . . .
H37 H 0.4015 0.3414 0.5985 0.051 Uiso 1 1 calc R . .
C38 C 0.3778(3) 0.2026(4) 0.51883(14) 0.0396(7) Uani 1 1 d . . .
H38 H 0.4052 0.1358 0.5428 0.048 Uiso 1 1 calc R . .
C39 C 0.3398(3) 0.1779(3) 0.45098(14) 0.0310(6) Uani 1 1 d . . .
H39 H 0.3415 0.0942 0.4287 0.037 Uiso 1 1 calc R . .
C40 C 0.4672(3) 0.0257(3) 0.22728(13) 0.0256(6) Uani 1 1 d . . .
H40 H 0.4397 -0.0029 0.1787 0.031 Uiso 1 1 calc R . .
C41 C 0.3671(3) -0.0104(3) 0.26619(14) 0.0271(6) Uani 1 1 d . . .
H41 H 0.2635 -0.0690 0.2480 0.033 Uiso 1 1 calc R . .
C42 C 0.4548(3) -0.0214(3) 0.33355(14) 0.0286(6) Uani 1 1 d . . .
H42 H 0.3995 -0.0714 0.3642 0.034 Uiso 1 1 calc R . .
C43 C 0.5472(3) 0.1349(3) 0.35634(13) 0.0260(6) Uani 1 1 d . . .
H43 H 0.5708 0.1820 0.4025 0.031 Uiso 1 1 calc R . .
C44 C 0.6415(3) 0.1675(3) 0.31572(14) 0.0275(6) Uani 1 1 d . . .
H44 H 0.7386 0.2428 0.3299 0.033 Uiso 1 1 calc R . .
C45 C 0.6124(3) 0.0326(3) 0.27045(14) 0.0282(6) Uani 1 1 d . . .
H45 H 0.6888 0.0286 0.2478 0.034 Uiso 1 1 calc R . .
C46 C 0.5650(3) -0.0810(3) 0.31372(14) 0.0298(6) Uani 1 1 d . . .
H46A H 0.6434 -0.0778 0.3514 0.036 Uiso 1 1 calc R . .
H46B H 0.5198 -0.1771 0.2887 0.036 Uiso 1 1 calc R . .
O2 O 0.2495(5) 0.8707(4) 0.4891(2) 0.0835(12) Uani 0.80 1 d P . .
C51 C 0.1403(6) 0.8678(6) 0.5196(3) 0.0665(15) Uani 0.80 1 d P . .
H51A H 0.0773 0.9146 0.4957 0.080 Uiso 0.80 1 calc PR . .
H51B H 0.1805 0.9165 0.5653 0.080 Uiso 0.80 1 calc PR . .
C52 C 0.0617(8) 0.7230(10) 0.5184(4) 0.128(4) Uani 0.80 1 d P . .
H52A H -0.0401 0.7086 0.5173 0.153 Uiso 0.80 1 calc PR . .
H52B H 0.1034 0.6880 0.5576 0.153 Uiso 0.80 1 calc PR . .
C53 C 0.0737(7) 0.6472(6) 0.4565(3) 0.0750(16) Uani 0.80 1 d P . .
H53A H 0.0871 0.5565 0.4637 0.090 Uiso 0.80 1 calc PR . .
H53B H -0.0111 0.6309 0.4197 0.090 Uiso 0.80 1 calc PR . .
C54 C 0.2041(7) 0.7513(6) 0.4455(3) 0.0738(16) Uani 0.80 1 d P . .
H54A H 0.2813 0.7104 0.4498 0.089 Uiso 0.80 1 calc PR . .
H54B H 0.1834 0.7742 0.4004 0.089 Uiso 0.80 1 calc PR . .


_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 C41 2.114(3) . ?
Rh1 C40 2.143(3) . ?
Rh1 C43 2.172(3) . ?
Rh1 C44 2.194(3) . ?
Rh1 P1 2.3269(7) . ?
Rh1 Cl1 2.4652(7) . ?
Rh1 P2 2.5097(7) . ?
P1 C22 1.838(3) . ?
P1 C16 1.838(3) . ?
P1 C1 1.840(2) . ?
P2 C34 1.834(3) . ?
P2 C28 1.834(3) . ?
P2 C8 1.841(3) . ?
O1 C6 1.380(3) . ?
O1 C7 1.389(3) . ?
C1 C2 1.394(4) . ?
C1 C6 1.397(3) . ?
C2 C3 1.391(4) . ?
C2 H2 0.9500 . ?
C3 C4 1.383(4) . ?
C3 H3 0.9500 . ?
C4 C5 1.391(4) . ?
C4 H4 0.9500 . ?
C5 C6 1.391(4) . ?
C5 C13 1.531(3) . ?
C7 C12 1.388(4) . ?
C7 C8 1.392(4) . ?
C8 C9 1.399(4) . ?
C9 C10 1.388(4) . ?
C9 H9 0.9500 . ?
C10 C11 1.383(4) . ?
C10 H10 0.9500 . ?
C11 C12 1.395(4) . ?
C11 H11 0.9500 . ?
C12 C13 1.525(4) . ?
C13 C15 1.532(4) . ?
C13 C14 1.553(4) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 C21 1.390(4) . ?
C16 C17 1.401(4) . ?
C17 C18 1.384(4) . ?
C17 H17 0.9500 . ?
C18 C19 1.382(4) . ?
C18 H18 0.9500 . ?
C19 C20 1.378(4) . ?
C19 H19 0.9500 . ?
C20 C21 1.394(4) . ?
C20 H20 0.9500 . ?
C21 H21 0.9500 . ?
C22 C23 1.387(4) . ?
C22 C27 1.397(4) . ?
C23 C24 1.385(4) . ?
C23 H23 0.9500 . ?
C24 C25 1.385(4) . ?
C24 H24 0.9500 . ?
C25 C26 1.390(4) . ?
C25 H25 0.9500 . ?
C26 C27 1.383(4) . ?
C26 H26 0.9500 . ?
C27 H27 0.9500 . ?
C28 C29 1.393(4) . ?
C28 C33 1.395(4) . ?
C29 C30 1.383(4) . ?
C29 H29 0.9500 . ?
C30 C31 1.383(4) . ?
C30 H30 0.9500 . ?
C31 C32 1.379(4) . ?
C31 H31 0.9500 . ?
C32 C33 1.389(4) . ?
C32 H32 0.9500 . ?
C33 H33 0.9500 . ?
C34 C35 1.393(4) . ?
C34 C39 1.401(4) . ?
C35 C36 1.388(4) . ?
C35 H35 0.9500 . ?
C36 C37 1.373(5) . ?
C36 H36 0.9500 . ?
C37 C38 1.387(5) . ?
C37 H37 0.9500 . ?
C38 C39 1.384(4) . ?
C38 H38 0.9500 . ?
C39 H39 0.9500 . ?
C40 C41 1.408(4) . ?
C40 C45 1.539(4) . ?
C40 H40 1.0000 . ?
C41 C42 1.542(4) . ?
C41 H41 1.0000 . ?
C42 C43 1.540(4) . ?
C42 C46 1.545(4) . ?
C42 H42 1.0000 . ?
C43 C44 1.390(4) . ?
C43 H43 1.0000 . ?
C44 C45 1.522(4) . ?
C44 H44 1.0000 . ?
C45 C46 1.536(4) . ?
C45 H45 1.0000 . ?
C46 H46A 0.9900 . ?
C46 H46B 0.9900 . ?
O2 C54 1.355(6) . ?
O2 C51 1.384(7) . ?
C51 C52 1.423(10) . ?
C51 H51A 0.9900 . ?
C51 H51B 0.9900 . ?
C52 C53 1.516(9) . ?
C52 H52A 0.9900 . ?
C52 H52B 0.9900 . ?
C53 C54 1.473(8) . ?
C53 H53A 0.9900 . ?
C53 H53B 0.9900 . ?
C54 H54A 0.9900 . ?
C54 H54B 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
C41 Rh1 C40 38.62(11) . . ?
C41 Rh1 C43 66.69(11) . . ?
C40 Rh1 C43 78.01(10) . . ?
C41 Rh1 C44 78.12(11) . . ?
C40 Rh1 C44 64.02(11) . . ?
C43 Rh1 C44 37.12(10) . . ?
C41 Rh1 P1 103.39(8) . . ?
C40 Rh1 P1 86.13(7) . . ?
C43 Rh1 P1 163.47(7) . . ?
C44 Rh1 P1 130.16(8) . . ?
C41 Rh1 Cl1 163.19(8) . . ?
C40 Rh1 Cl1 133.90(8) . . ?
C43 Rh1 Cl1 98.27(8) . . ?
C44 Rh1 Cl1 85.29(8) . . ?
P1 Rh1 Cl1 89.34(2) . . ?
C41 Rh1 P2 93.00(8) . . ?
C40 Rh1 P2 130.45(8) . . ?
C43 Rh1 P2 93.54(7) . . ?
C44 Rh1 P2 129.47(8) . . ?
P1 Rh1 P2 100.35(2) . . ?
Cl1 Rh1 P2 95.49(2) . . ?
C22 P1 C16 98.10(11) . . ?
C22 P1 C1 102.43(11) . . ?
C16 P1 C1 104.14(11) . . ?
C22 P1 Rh1 113.68(9) . . ?
C16 P1 Rh1 122.97(8) . . ?
C1 P1 Rh1 112.79(8) . . ?
C34 P2 C28 101.49(12) . . ?
C34 P2 C8 102.42(12) . . ?
C28 P2 C8 100.72(12) . . ?
C34 P2 Rh1 117.34(9) . . ?
C28 P2 Rh1 120.05(8) . . ?
C8 P2 Rh1 112.18(8) . . ?
C6 O1 C7 115.09(19) . . ?
C2 C1 C6 116.5(2) . . ?
C2 C1 P1 124.92(19) . . ?
C6 C1 P1 118.19(18) . . ?
C3 C2 C1 120.6(2) . . ?
C3 C2 H2 119.7 . . ?
C1 C2 H2 119.7 . . ?
C4 C3 C2 120.9(2) . . ?
C4 C3 H3 119.6 . . ?
C2 C3 H3 119.6 . . ?
C3 C4 C5 120.7(2) . . ?
C3 C4 H4 119.7 . . ?
C5 C4 H4 119.7 . . ?
C6 C5 C4 116.9(2) . . ?
C6 C5 C13 118.2(2) . . ?
C4 C5 C13 124.9(2) . . ?
O1 C6 C5 120.2(2) . . ?
O1 C6 C1 115.4(2) . . ?
C5 C6 C1 124.4(2) . . ?
C12 C7 O1 120.0(2) . . ?
C12 C7 C8 124.9(2) . . ?
O1 C7 C8 115.1(2) . . ?
C7 C8 C9 116.3(2) . . ?
C7 C8 P2 117.10(19) . . ?
C9 C8 P2 126.5(2) . . ?
C10 C9 C8 120.4(2) . . ?
C10 C9 H9 119.8 . . ?
C8 C9 H9 119.8 . . ?
C11 C10 C9 121.1(2) . . ?
C11 C10 H10 119.5 . . ?
C9 C10 H10 119.5 . . ?
C10 C11 C12 120.5(2) . . ?
C10 C11 H11 119.7 . . ?
C12 C11 H11 119.7 . . ?
C7 C12 C11 116.7(2) . . ?
C7 C12 C13 118.5(2) . . ?
C11 C12 C13 124.8(2) . . ?
C12 C13 C5 108.0(2) . . ?
C12 C13 C15 111.6(2) . . ?
C5 C13 C15 111.0(2) . . ?
C12 C13 C14 108.3(2) . . ?
C5 C13 C14 108.4(2) . . ?
C15 C13 C14 109.4(2) . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C13 C15 H15A 109.5 . . ?
C13 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C13 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C21 C16 C17 118.6(2) . . ?
C21 C16 P1 124.7(2) . . ?
C17 C16 P1 116.63(19) . . ?
C18 C17 C16 120.5(2) . . ?
C18 C17 H17 119.7 . . ?
C16 C17 H17 119.7 . . ?
C19 C18 C17 120.4(3) . . ?
C19 C18 H18 119.8 . . ?
C17 C18 H18 119.8 . . ?
C20 C19 C18 119.6(3) . . ?
C20 C19 H19 120.2 . . ?
C18 C19 H19 120.2 . . ?
C19 C20 C21 120.6(3) . . ?
C19 C20 H20 119.7 . . ?
C21 C20 H20 119.7 . . ?
C16 C21 C20 120.2(3) . . ?
C16 C21 H21 119.9 . . ?
C20 C21 H21 119.9 . . ?
C23 C22 C27 118.7(2) . . ?
C23 C22 P1 120.5(2) . . ?
C27 C22 P1 120.8(2) . . ?
C24 C23 C22 121.0(2) . . ?
C24 C23 H23 119.5 . . ?
C22 C23 H23 119.5 . . ?
C23 C24 C25 119.8(3) . . ?
C23 C24 H24 120.1 . . ?
C25 C24 H24 120.1 . . ?
C24 C25 C26 120.0(2) . . ?
C24 C25 H25 120.0 . . ?
C26 C25 H25 120.0 . . ?
C27 C26 C25 119.8(3) . . ?
C27 C26 H26 120.1 . . ?
C25 C26 H26 120.1 . . ?
C26 C27 C22 120.7(2) . . ?
C26 C27 H27 119.7 . . ?
C22 C27 H27 119.7 . . ?
C29 C28 C33 118.8(2) . . ?
C29 C28 P2 118.1(2) . . ?
C33 C28 P2 123.0(2) . . ?
C30 C29 C28 120.1(2) . . ?
C30 C29 H29 120.0 . . ?
C28 C29 H29 120.0 . . ?
C29 C30 C31 120.8(3) . . ?
C29 C30 H30 119.6 . . ?
C31 C30 H30 119.6 . . ?
C32 C31 C30 119.8(3) . . ?
C32 C31 H31 120.1 . . ?
C30 C31 H31 120.1 . . ?
C31 C32 C33 119.9(3) . . ?
C31 C32 H32 120.0 . . ?
C33 C32 H32 120.0 . . ?
C32 C33 C28 120.6(3) . . ?
C32 C33 H33 119.7 . . ?
C28 C33 H33 119.7 . . ?
C35 C34 C39 118.2(3) . . ?
C35 C34 P2 122.7(2) . . ?
C39 C34 P2 119.0(2) . . ?
C36 C35 C34 120.4(3) . . ?
C36 C35 H35 119.8 . . ?
C34 C35 H35 119.8 . . ?
C37 C36 C35 120.9(3) . . ?
C37 C36 H36 119.5 . . ?
C35 C36 H36 119.5 . . ?
C36 C37 C38 119.5(3) . . ?
C36 C37 H37 120.3 . . ?
C38 C37 H37 120.3 . . ?
C39 C38 C37 120.2(3) . . ?
C39 C38 H38 119.9 . . ?
C37 C38 H38 119.9 . . ?
C38 C39 C34 120.8(3) . . ?
C38 C39 H39 119.6 . . ?
C34 C39 H39 119.6 . . ?
C41 C40 C45 106.5(2) . . ?
C41 C40 Rh1 69.55(15) . . ?
C45 C40 Rh1 100.10(17) . . ?
C41 C40 H40 122.6 . . ?
C45 C40 H40 122.6 . . ?
Rh1 C40 H40 122.6 . . ?
C40 C41 C42 105.0(2) . . ?
C40 C41 Rh1 71.83(15) . . ?
C42 C41 Rh1 97.84(17) . . ?
C40 C41 H41 123.1 . . ?
C42 C41 H41 123.1 . . ?
Rh1 C41 H41 123.1 . . ?
C43 C42 C41 99.7(2) . . ?
C43 C42 C46 101.4(2) . . ?
C41 C42 C46 101.7(2) . . ?
C43 C42 H42 117.0 . . ?
C41 C42 H42 117.0 . . ?
C46 C42 H42 117.0 . . ?
C44 C43 C42 105.4(2) . . ?
C44 C43 Rh1 72.31(15) . . ?
C42 C43 Rh1 95.56(16) . . ?
C44 C43 H43 123.4 . . ?
C42 C43 H43 123.4 . . ?
Rh1 C43 H43 123.4 . . ?
C43 C44 C45 106.9(2) . . ?
C43 C44 Rh1 70.58(15) . . ?
C45 C44 Rh1 98.50(17) . . ?
C43 C44 H44 122.6 . . ?
C45 C44 H44 122.6 . . ?
Rh1 C44 H44 122.6 . . ?
C44 C45 C46 102.3(2) . . ?
C44 C45 C40 97.4(2) . . ?
C46 C45 C40 101.7(2) . . ?
C44 C45 H45 117.4 . . ?
C46 C45 H45 117.4 . . ?
C40 C45 H45 117.4 . . ?
C45 C46 C42 93.5(2) . . ?
C45 C46 H46A 113.0 . . ?
C42 C46 H46A 113.0 . . ?
C45 C46 H46B 113.0 . . ?
C42 C46 H46B 113.0 . . ?
H46A C46 H46B 110.4 . . ?
C54 O2 C51 108.1(5) . . ?
O2 C51 C52 105.8(5) . . ?
O2 C51 H51A 110.6 . . ?
C52 C51 H51A 110.6 . . ?
O2 C51 H51B 110.6 . . ?
C52 C51 H51B 110.6 . . ?
H51A C51 H51B 108.7 . . ?
C51 C52 C53 105.6(5) . . ?
C51 C52 H52A 110.6 . . ?
C53 C52 H52A 110.6 . . ?
C51 C52 H52B 110.6 . . ?
C53 C52 H52B 110.6 . . ?
H52A C52 H52B 108.8 . . ?
C54 C53 C52 99.9(5) . . ?
C54 C53 H53A 111.8 . . ?
C52 C53 H53A 111.8 . . ?
C54 C53 H53B 111.8 . . ?
C52 C53 H53B 111.8 . . ?
H53A C53 H53B 109.5 . . ?
O2 C54 C53 111.2(5) . . ?
O2 C54 H54A 109.4 . . ?
C53 C54 H54A 109.4 . . ?
O2 C54 H54B 109.4 . . ?
C53 C54 H54B 109.4 . . ?
H54A C54 H54B 108.0 . . ?

_diffrn_measured_fraction_theta_max 0.991
_diffrn_reflns_theta_full        63.69
_diffrn_measured_fraction_theta_full 0.991
_refine_diff_density_max         0.404
_refine_diff_density_min         -0.518
_refine_diff_density_rms         0.061
_database_code_depnum_ccdc_archive 'CCDC 996814'
