Supplementary Material (ESI) for Dalton Transactions
This journal is © The Royal Society of Chemistry 2005

data_global
_journal_name_full               'Dalton Trans.'
_journal_coden_cambridge         0222

_publ_contact_author_name        'F. A. Cotton'
_publ_contact_author_address     
; Laboratory for Molecular Structure and Bonding
Dept. of Chemistry
Texas A&M University, PO Box 30012
College Station, TX 77842-3012, USA
;
_publ_contact_author_email       cotton@tamu.edu
_publ_contact_author_fax         '(979) 845 9351'
_publ_contact_author_phone       '(979) 845 4432'

#AUTHOR LIST

loop_
_publ_author_name
_publ_author_address

'F. Albert Cotton'
; Laboratory for Molecular Structure and Bonding
Dept. of Chemistry, PO Box 30012
College Station, TX 77842-3012, USA
;
'Carlos A. Murillo'
; Laboratory for Molecular Structure and Bonding
Dept. of Chemistry, PO Box 30012
College Station, TX 77842-3012, USA
;
'Rongmin Yu'
; Laboratory for Molecular Structure and Bonding
Dept. of Chemistry, PO Box 30012
College Station, TX 77842-3012, USA
;
#========================================================
#Compound 1
#========================================================
data_xl
_database_code_depnum_ccdc_archive 'CCDC 274099'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         
'Rh12 (C18 H14 P)12 (C5 H5 N )12 (C9 H3 O6 )4 C9 N B F4 (CH2 Cl2 )4'
_chemical_formula_sum            'C324 H268 Cl8 N13 O24 P12 Rh12'
_chemical_formula_weight         6617.67

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           monoclinic
_symmetry_space_group_name_H-M   P2(1)

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

_cell_length_a                   28.900(15)
_cell_length_b                   23.140(11)
_cell_length_c                   32.715(16)
_cell_angle_alpha                90.00
_cell_angle_beta                 101.917(9)
_cell_angle_gamma                90.00
_cell_volume                     21406(18)
_cell_formula_units_Z            2
_cell_measurement_temperature    183(2)
_cell_measurement_reflns_used    6852
_cell_measurement_theta_min      2.32
_cell_measurement_theta_max      20.15

_exptl_crystal_description       stick
_exptl_crystal_colour            orange
_exptl_crystal_size_max          0.56
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.17
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.027
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             6702
_exptl_absorpt_coefficient_mu    0.590
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7335
_exptl_absorpt_correction_T_max  0.9063
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      183(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'Normal-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker SMART 1000'
_diffrn_measurement_method       'W/ scans'
_diffrn_detector_area_resol_mean '8.33 mm ^-1^'
_diffrn_standards_number         'none (area detector data)'
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_decay_%        0
_diffrn_reflns_number            65594
_diffrn_reflns_av_R_equivalents  0.1917
_diffrn_reflns_av_sigmaI/netI    0.2082
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_theta_min         1.44
_diffrn_reflns_theta_max         20.24
_reflns_number_total             36643
_reflns_number_gt                23742
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       SMART
_computing_cell_refinement       SAINT
_computing_data_reduction        SAINT
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'SHELXTL (Siemens, 1996)'
_computing_publication_material  CIFTAB

_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^)+(0.2000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.11(8)
_refine_ls_number_reflns         36643
_refine_ls_number_parameters     912
_refine_ls_number_restraints     56
_refine_ls_R_factor_all          0.2454
_refine_ls_R_factor_gt           0.1858
_refine_ls_wR_factor_ref         0.4582
_refine_ls_wR_factor_gt          0.4223
_refine_ls_goodness_of_fit_ref   1.467
_refine_ls_restrained_S_all      1.466
_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 0.45729(10) 0.9430(8) 0.04227(8) 0.0250(8) Uiso 1 1 d . . .
Rh2 Rh 0.52230(10) 0.9483(8) 0.10759(9) 0.0260(8) Uiso 1 1 d . . .
Rh3 Rh 0.42547(12) 0.7365(8) 0.33571(10) 0.0347(9) Uiso 1 1 d . . .
Rh4 Rh 0.49710(12) 0.8015(8) 0.33524(10) 0.0346(9) Uiso 1 1 d . . .
Rh5 Rh 0.39087(11) 1.2092(8) 0.30285(9) 0.0326(9) Uiso 1 1 d . . .
Rh6 Rh 0.47176(11) 1.1631(8) 0.30647(10) 0.0340(9) Uiso 1 1 d . . .
Rh7 Rh 0.18197(11) 1.1705(8) 0.08504(9) 0.0304(9) Uiso 1 1 d . . .
Rh8 Rh 0.19352(11) 1.1041(8) 0.02556(9) 0.0253(8) Uiso 1 1 d . . .
Rh9 Rh 0.21514(12) 0.7407(8) 0.05583(9) 0.0346(9) Uiso 1 1 d . . .
Rh10 Rh 0.20545(12) 0.6980(8) 0.12458(10) 0.0369(9) Uiso 1 1 d . . .
Rh11 Rh 0.15014(13) 1.0117(8) 0.31094(11) 0.0436(10) Uiso 1 1 d . . .
Rh12 Rh 0.16136(13) 0.9032(8) 0.32347(11) 0.0434(10) Uiso 1 1 d . . .
P1 P 0.4965(4) 1.0041(9) 0.0115(3) 0.033(3) Uiso 1 1 d . . .
P2 P 0.5659(4) 0.8920(9) 0.0775(3) 0.029(3) Uiso 1 1 d . . .
P3 P 0.4735(4) 0.6591(9) 0.3341(3) 0.043(3) Uiso 1 1 d . . .
P4 P 0.5225(4) 0.7823(9) 0.4019(3) 0.038(3) Uiso 1 1 d . . .
P5 P 0.4157(4) 1.2376(9) 0.3685(3) 0.037(3) Uiso 1 1 d . . .
P6 P 0.4995(5) 1.2503(10) 0.3007(4) 0.054(4) Uiso 1 1 d . . .
P7 P 0.1915(4) 1.2469(9) 0.0448(3) 0.034(3) Uiso 1 1 d . . .
P8 P 0.1195(4) 1.1235(9) -0.0053(3) 0.028(3) Uiso 1 1 d . . .
P9 P 0.2258(5) 0.6528(10) 0.0355(4) 0.052(4) Uiso 1 1 d . . .
P10 P 0.1344(4) 0.6679(9) 0.0952(3) 0.038(3) Uiso 1 1 d . . .
P11 P 0.0746(5) 0.9996(10) 0.3066(4) 0.056(4) Uiso 1 1 d . . .
P12 P 0.1525(5) 0.9169(10) 0.3889(4) 0.059(4) Uiso 1 1 d . . .
O1 O 0.4260(8) 1.0158(13) 0.0698(7) 0.023(6) Uiso 1 1 d . . .
O2 O 0.4751(8) 1.0011(13) 0.1350(6) 0.019(6) Uiso 1 1 d . . .
O3 O 0.4181(8) 0.8907(13) 0.0775(7) 0.023(6) Uiso 1 1 d . . .
O4 O 0.4868(9) 0.8766(14) 0.1275(7) 0.031(7) Uiso 1 1 d . . .
O5 O 0.3840(9) 0.8113(15) 0.3317(8) 0.042(8) Uiso 1 1 d . . .
O6 O 0.4514(9) 0.8688(14) 0.3470(7) 0.028(7) Uiso 1 1 d . . .
O7 O 0.4138(9) 0.7479(14) 0.2704(7) 0.033(7) Uiso 1 1 d . . .
O8 O 0.4670(9) 0.8203(14) 0.2683(7) 0.033(7) Uiso 1 1 d . . .
O9 O 0.3765(12) 1.1243(18) 0.3224(10) 0.072(10) Uiso 1 1 d . . .
O10 O 0.4372(8) 1.0789(13) 0.3103(7) 0.022(6) Uiso 1 1 d . . .
O11 O 0.3707(7) 1.1732(13) 0.2417(6) 0.018(6) Uiso 1 1 d . . .
O12 O 0.4474(8) 1.1527(13) 0.2394(7) 0.023(6) Uiso 1 1 d . . .
O13 O 0.1805(9) 1.0931(15) 0.1221(8) 0.043(8) Uiso 1 1 d . . .
O14 O 0.1711(9) 1.0376(15) 0.0631(8) 0.037(7) Uiso 1 1 d . . .
O15 O 0.2574(8) 1.1641(14) 0.1042(7) 0.031(7) Uiso 1 1 d . . .
O16 O 0.2653(8) 1.0858(14) 0.0611(7) 0.028(7) Uiso 1 1 d . . .
O17 O 0.2075(8) 0.8281(13) 0.0833(7) 0.022(6) Uiso 1 1 d . . .
O18 O 0.1805(10) 0.7835(16) 0.1323(8) 0.050(8) Uiso 1 1 d . . .
O19 O 0.2870(8) 0.7478(13) 0.0842(6) 0.020(6) Uiso 1 1 d . . .
O20 O 0.2736(8) 0.7355(14) 0.1533(7) 0.027(6) Uiso 1 1 d . . .
O21 O 0.1416(7) 0.9892(12) 0.2462(6) 0.013(6) Uiso 1 1 d . . .
O22 O 0.1711(8) 0.9022(14) 0.2607(7) 0.026(6) Uiso 1 1 d . . .
O23 O 0.2261(9) 1.0103(15) 0.3138(8) 0.040(7) Uiso 1 1 d . . .
O24 O 0.2366(9) 0.9217(14) 0.3419(7) 0.034(7) Uiso 1 1 d . . .
C1 C 0.5341(8) 1.0499(12) 0.0511(6) 0.012(8) Uiso 1 1 d G . .
C2 C 0.5481(9) 1.0274(11) 0.0912(7) 0.028(10) Uiso 1 1 d G . .
C3 C 0.5689(9) 1.0631(13) 0.1240(5) 0.045(12) Uiso 1 1 d G . .
H3A H 0.5784 1.0477 0.1513 0.054 Uiso 1 1 calc R . .
C4 C 0.5758(8) 1.1214(13) 0.1167(6) 0.034(11) Uiso 1 1 d G . .
H4A H 0.5901 1.1458 0.1392 0.041 Uiso 1 1 calc R . .
C5 C 0.5619(9) 1.1439(11) 0.0767(7) 0.035(11) Uiso 1 1 d G . .
H5A H 0.5666 1.1837 0.0718 0.042 Uiso 1 1 calc R . .
C6 C 0.5410(9) 1.1082(13) 0.0439(5) 0.051(13) Uiso 1 1 d G . .
H6A H 0.5315 1.1235 0.0165 0.062 Uiso 1 1 calc R . .
C7 C 0.4619(8) 1.0567(13) -0.0232(7) 0.018(9) Uiso 1 1 d G . .
C8 C 0.4632(9) 1.0615(14) -0.0653(7) 0.034(11) Uiso 1 1 d G . .
H8A H 0.4845 1.0384 -0.0769 0.041 Uiso 1 1 calc R . .
C9 C 0.4333(10) 1.1002(15) -0.0906(6) 0.072(16) Uiso 1 1 d G . .
H9A H 0.4341 1.1035 -0.1193 0.086 Uiso 1 1 calc R . .
C10 C 0.4021(10) 1.1340(14) -0.0737(7) 0.045(12) Uiso 1 1 d G . .
H10A H 0.3817 1.1604 -0.0909 0.054 Uiso 1 1 calc R . .
C11 C 0.4009(9) 1.1291(14) -0.0316(8) 0.048(13) Uiso 1 1 d G . .
H11A H 0.3796 1.1522 -0.0200 0.057 Uiso 1 1 calc R . .
C12 C 0.4308(9) 1.0905(14) -0.0064(6) 0.037(11) Uiso 1 1 d G . .
H12A H 0.4299 1.0871 0.0224 0.044 Uiso 1 1 calc R . .
C13 C 0.5353(10) 0.9791(15) -0.0221(8) 0.047(13) Uiso 1 1 d G . .
C14 C 0.5216(9) 0.9325(14) -0.0487(8) 0.025(10) Uiso 1 1 d G . .
H14A H 0.4947 0.9102 -0.0462 0.030 Uiso 1 1 calc R . .
C15 C 0.5472(11) 0.9185(15) -0.0789(8) 0.074(17) Uiso 1 1 d G . .
H15A H 0.5378 0.8866 -0.0970 0.089 Uiso 1 1 calc R . .
C16 C 0.5866(11) 0.9511(18) -0.0825(9) 0.075(16) Uiso 1 1 d G . .
H16A H 0.6041 0.9415 -0.1032 0.090 Uiso 1 1 calc R . .
C17 C 0.6003(10) 0.9977(17) -0.0560(11) 0.11(2) Uiso 1 1 d G . .
H17A H 0.6271 1.0200 -0.0585 0.126 Uiso 1 1 calc R . .
C18 C 0.5746(11) 1.0117(14) -0.0258(10) 0.065(15) Uiso 1 1 d G . .
H18A H 0.5840 1.0436 -0.0077 0.078 Uiso 1 1 calc R . .
C19 C 0.5293(8) 0.8455(13) 0.0398(7) 0.033(4) Uiso 1 1 d G . .
C20 C 0.4841(9) 0.8667(11) 0.0244(8) 0.033(4) Uiso 1 1 d G . .
C21 C 0.4498(7) 0.8310(13) 0.0013(7) 0.033(4) Uiso 1 1 d G . .
H21A H 0.4188 0.8455 -0.0093 0.040 Uiso 1 1 calc R . .
C22 C 0.4606(7) 0.7740(13) -0.0064(7) 0.033(4) Uiso 1 1 d G . .
H22A H 0.4372 0.7496 -0.0222 0.040 Uiso 1 1 calc R . .
C23 C 0.5059(9) 0.7528(11) 0.0090(7) 0.033(4) Uiso 1 1 d G . .
H23A H 0.5133 0.7139 0.0037 0.040 Uiso 1 1 calc R . .
C24 C 0.5402(6) 0.7886(13) 0.0321(7) 0.033(4) Uiso 1 1 d G . .
H24A H 0.5712 0.7741 0.0427 0.040 Uiso 1 1 calc R . .
C25 C 0.6021(8) 0.8374(13) 0.1138(6) 0.014(9) Uiso 1 1 d G . .
C26 C 0.6505(8) 0.8302(14) 0.1174(8) 0.052(13) Uiso 1 1 d G . .
H26A H 0.6669 0.8525 0.1005 0.062 Uiso 1 1 calc R . .
C27 C 0.6749(7) 0.7904(15) 0.1456(9) 0.055(13) Uiso 1 1 d G . .
H27A H 0.7080 0.7855 0.1481 0.066 Uiso 1 1 calc R . .
C28 C 0.6509(9) 0.7578(14) 0.1703(8) 0.064(15) Uiso 1 1 d G . .
H28A H 0.6676 0.7306 0.1896 0.077 Uiso 1 1 calc R . .
C29 C 0.6025(9) 0.7650(13) 0.1667(7) 0.050(13) Uiso 1 1 d G . .
H29A H 0.5861 0.7427 0.1836 0.060 Uiso 1 1 calc R . .
C30 C 0.5781(6) 0.8048(13) 0.1384(7) 0.023(9) Uiso 1 1 d G . .
H30A H 0.5450 0.8098 0.1360 0.028 Uiso 1 1 calc R . .
C31 C 0.6120(9) 0.9152(15) 0.0501(8) 0.042(12) Uiso 1 1 d G . .
C32 C 0.6407(11) 0.9611(15) 0.0670(8) 0.066(15) Uiso 1 1 d G . .
H32A H 0.6335 0.9825 0.0897 0.079 Uiso 1 1 calc R . .
C33 C 0.6800(10) 0.9756(15) 0.0508(10) 0.072(16) Uiso 1 1 d G . .
H33A H 0.6996 1.0070 0.0624 0.087 Uiso 1 1 calc R . .
C34 C 0.6906(10) 0.9443(18) 0.0177(10) 0.075(16) Uiso 1 1 d G . .
H34A H 0.7174 0.9542 0.0066 0.090 Uiso 1 1 calc R . .
C35 C 0.6619(11) 0.8984(16) 0.0008(9) 0.11(2) Uiso 1 1 d G . .
H35A H 0.6691 0.8770 -0.0219 0.130 Uiso 1 1 calc R . .
C36 C 0.6226(10) 0.8839(14) 0.0170(8) 0.029(10) Uiso 1 1 d G . .
H36A H 0.6030 0.8525 0.0054 0.035 Uiso 1 1 calc R . .
C37 C 0.5235(8) 0.6827(15) 0.3139(8) 0.045(12) Uiso 1 1 d G . .
C38 C 0.5370(9) 0.7404(14) 0.3137(8) 0.039(11) Uiso 1 1 d G . .
C39 C 0.5728(10) 0.7566(13) 0.2936(8) 0.047(13) Uiso 1 1 d G . .
H39A H 0.5820 0.7960 0.2934 0.056 Uiso 1 1 calc R . .
C40 C 0.5953(8) 0.7153(15) 0.2737(8) 0.053(13) Uiso 1 1 d G . .
H40A H 0.6198 0.7264 0.2599 0.063 Uiso 1 1 calc R . .
C41 C 0.5818(10) 0.6576(14) 0.2739(8) 0.063(15) Uiso 1 1 d G . .
H41A H 0.5971 0.6294 0.2604 0.076 Uiso 1 1 calc R . .
C42 C 0.5459(10) 0.6414(13) 0.2941(9) 0.054(13) Uiso 1 1 d G . .
H42A H 0.5367 0.6020 0.2942 0.064 Uiso 1 1 calc R . .
C43 C 0.4955(10) 0.6157(15) 0.3792(7) 0.052(13) Uiso 1 1 d G . .
C44 C 0.5391(9) 0.5889(16) 0.3820(8) 0.046(12) Uiso 1 1 d G . .
H44A H 0.5570 0.5956 0.3613 0.055 Uiso 1 1 calc R . .
C45 C 0.5564(9) 0.5522(16) 0.4153(10) 0.073(16) Uiso 1 1 d G . .
H45A H 0.5862 0.5339 0.4173 0.087 Uiso 1 1 calc R . .
C46 C 0.5301(11) 0.5423(16) 0.4458(9) 0.077(17) Uiso 1 1 d G . .
H46A H 0.5419 0.5173 0.4685 0.092 Uiso 1 1 calc R . .
C47 C 0.4865(11) 0.5691(17) 0.4429(8) 0.078(17) Uiso 1 1 d G . .
H47A H 0.4686 0.5624 0.4637 0.094 Uiso 1 1 calc R . .
C48 C 0.4692(8) 0.6058(15) 0.4096(8) 0.033(10) Uiso 1 1 d G . .
H48A H 0.4394 0.6242 0.4077 0.040 Uiso 1 1 calc R . .
C49 C 0.4432(9) 0.6027(14) 0.3004(7) 0.053(13) Uiso 1 1 d G . .
C50 C 0.4237(10) 0.6180(12) 0.2594(8) 0.034(11) Uiso 1 1 d G . .
H50A H 0.4236 0.6573 0.2511 0.040 Uiso 1 1 calc R . .
C51 C 0.4043(9) 0.5759(14) 0.2307(6) 0.057(14) Uiso 1 1 d G . .
H51A H 0.3910 0.5864 0.2027 0.069 Uiso 1 1 calc R . .
C52 C 0.4045(9) 0.5184(13) 0.2429(7) 0.038(11) Uiso 1 1 d G . .
H52A H 0.3912 0.4895 0.2233 0.046 Uiso 1 1 calc R . .
C53 C 0.4239(10) 0.5030(12) 0.2840(8) 0.060(14) Uiso 1 1 d G . .
H53A H 0.4240 0.4637 0.2923 0.072 Uiso 1 1 calc R . .
C54 C 0.4433(10) 0.5451(15) 0.3127(6) 0.044(12) Uiso 1 1 d G . .
H54A H 0.4566 0.5346 0.3407 0.053 Uiso 1 1 calc R . .
C55 C 0.4719(8) 0.7697(15) 0.4238(7) 0.053(13) Uiso 1 1 d G . .
C56 C 0.4319(9) 0.7446(15) 0.3992(5) 0.029(10) Uiso 1 1 d G . .
C57 C 0.3935(7) 0.7303(14) 0.4167(7) 0.036(11) Uiso 1 1 d G . .
H57A H 0.3662 0.7132 0.3999 0.044 Uiso 1 1 calc R . .
C58 C 0.3950(8) 0.7411(15) 0.4587(7) 0.042(11) Uiso 1 1 d G . .
H58A H 0.3687 0.7314 0.4707 0.050 Uiso 1 1 calc R . .
C59 C 0.4349(9) 0.7662(15) 0.4833(5) 0.058(14) Uiso 1 1 d G . .
H59A H 0.4359 0.7736 0.5120 0.070 Uiso 1 1 calc R . .
C60 C 0.4734(8) 0.7805(14) 0.4658(7) 0.027(10) Uiso 1 1 d G . .
H60A H 0.5007 0.7976 0.4826 0.032 Uiso 1 1 calc R . .
C61 C 0.5488(10) 0.8430(14) 0.4340(8) 0.031(11) Uiso 1 1 d G . .
C62 C 0.5922(10) 0.8398(14) 0.4617(9) 0.052(13) Uiso 1 1 d G . .
H62A H 0.6098 0.8048 0.4645 0.063 Uiso 1 1 calc R . .
C63 C 0.6099(9) 0.8877(17) 0.4855(8) 0.069(16) Uiso 1 1 d G . .
H63A H 0.6396 0.8855 0.5045 0.083 Uiso 1 1 calc R . .
C64 C 0.5842(12) 0.9389(15) 0.4816(9) 0.088(18) Uiso 1 1 d G . .
H64A H 0.5963 0.9717 0.4978 0.106 Uiso 1 1 calc R . .
C65 C 0.5408(11) 0.9422(14) 0.4538(10) 0.068(15) Uiso 1 1 d G . .
H65A H 0.5233 0.9772 0.4511 0.082 Uiso 1 1 calc R . .
C66 C 0.5231(8) 0.8942(16) 0.4301(8) 0.066(15) Uiso 1 1 d G . .
H66A H 0.4935 0.8965 0.4111 0.079 Uiso 1 1 calc R . .
C67 C 0.5675(9) 0.7256(15) 0.4195(8) 0.045(12) Uiso 1 1 d G . .
C68 C 0.6053(10) 0.7169(15) 0.4000(7) 0.047(12) Uiso 1 1 d G . .
H68A H 0.6056 0.7352 0.3740 0.056 Uiso 1 1 calc R . .
C69 C 0.6427(9) 0.6816(17) 0.4185(9) 0.071(16) Uiso 1 1 d G . .
H69A H 0.6686 0.6757 0.4051 0.085 Uiso 1 1 calc R . .
C70 C 0.6423(10) 0.6550(16) 0.4565(9) 0.067(15) Uiso 1 1 d G . .
H70A H 0.6679 0.6308 0.4691 0.080 Uiso 1 1 calc R . .
C71 C 0.6045(11) 0.6636(16) 0.4760(7) 0.075(16) Uiso 1 1 d G . .
H71A H 0.6042 0.6454 0.5019 0.090 Uiso 1 1 calc R . .
C72 C 0.5671(9) 0.6989(16) 0.4575(8) 0.039(11) Uiso 1 1 d G . .
H72A H 0.5412 0.7048 0.4708 0.047 Uiso 1 1 calc R . .
C73 C 0.4580(9) 1.1888(14) 0.3960(7) 0.036(11) Uiso 1 1 d G . .
C74 C 0.4851(10) 1.1613(15) 0.3712(6) 0.039(11) Uiso 1 1 d G . .
C75 C 0.5227(10) 1.1262(15) 0.3896(8) 0.057(14) Uiso 1 1 d G . .
H75A H 0.5412 1.1075 0.3727 0.068 Uiso 1 1 calc R . .
C76 C 0.5333(9) 1.1186(15) 0.4326(8) 0.061(14) Uiso 1 1 d G . .
H76A H 0.5590 1.0947 0.4452 0.073 Uiso 1 1 calc R . .
C77 C 0.5062(10) 1.1461(15) 0.4574(6) 0.046(12) Uiso 1 1 d G . .
H77A H 0.5134 1.1409 0.4868 0.055 Uiso 1 1 calc R . .
C78 C 0.4686(9) 1.1812(15) 0.4390(7) 0.042(12) Uiso 1 1 d G . .
H78A H 0.4501 1.1999 0.4559 0.050 Uiso 1 1 calc R . .
C79 C 0.3711(8) 1.2300(14) 0.3999(8) 0.039(11) Uiso 1 1 d G . .
C80 C 0.3582(9) 1.2767(12) 0.4218(8) 0.040(12) Uiso 1 1 d G . .
H80A H 0.3735 1.3129 0.4211 0.048 Uiso 1 1 calc R . .
C81 C 0.3231(10) 1.2703(13) 0.4448(8) 0.054(13) Uiso 1 1 d G . .
H81A H 0.3143 1.3023 0.4598 0.064 Uiso 1 1 calc R . .
C82 C 0.3008(9) 1.2173(15) 0.4458(8) 0.066(15) Uiso 1 1 d G . .
H82A H 0.2768 1.2129 0.4615 0.079 Uiso 1 1 calc R . .
C83 C 0.3137(9) 1.1706(13) 0.4238(8) 0.036(11) Uiso 1 1 d G . .
H83A H 0.2984 1.1343 0.4245 0.043 Uiso 1 1 calc R . .
C84 C 0.3488(9) 1.1769(13) 0.4009(7) 0.036(11) Uiso 1 1 d G . .
H84A H 0.3576 1.1450 0.3859 0.043 Uiso 1 1 calc R . .
C85 C 0.4318(10) 1.3160(13) 0.3832(8) 0.032(11) Uiso 1 1 d G . .
C86 C 0.4083(9) 1.3613(15) 0.3597(7) 0.043(12) Uiso 1 1 d G . .
H86A H 0.3870 1.3536 0.3340 0.051 Uiso 1 1 calc R . .
C87 C 0.4160(10) 1.4178(13) 0.3739(9) 0.051(13) Uiso 1 1 d G . .
H87A H 0.4000 1.4488 0.3578 0.062 Uiso 1 1 calc R . .
C88 C 0.4471(12) 1.4290(13) 0.4114(10) 0.12(3) Uiso 1 1 d G . .
H88A H 0.4524 1.4677 0.4211 0.148 Uiso 1 1 calc R . .
C89 C 0.4706(10) 1.3837(17) 0.4349(7) 0.067(15) Uiso 1 1 d G . .
H89A H 0.4919 1.3914 0.4606 0.080 Uiso 1 1 calc R . .
C90 C 0.4629(9) 1.3272(15) 0.4207(8) 0.059(14) Uiso 1 1 d G . .
H90A H 0.4790 1.2962 0.4367 0.071 Uiso 1 1 calc R . .
C91 C 0.4525(8) 1.2964(14) 0.2680(8) 0.035(11) Uiso 1 1 d G . .
C92 C 0.4070(9) 1.2839(14) 0.2730(8) 0.042(12) Uiso 1 1 d G . .
C93 C 0.3686(7) 1.3135(15) 0.2497(8) 0.050(13) Uiso 1 1 d G . .
H93A H 0.3375 1.3050 0.2531 0.060 Uiso 1 1 calc R . .
C94 C 0.3758(9) 1.3558(15) 0.2215(8) 0.050(13) Uiso 1 1 d G . .
H94A H 0.3496 1.3760 0.2055 0.060 Uiso 1 1 calc R . .
C95 C 0.4213(10) 1.3683(14) 0.2165(8) 0.063(15) Uiso 1 1 d G . .
H95A H 0.4263 1.3972 0.1972 0.075 Uiso 1 1 calc R . .
C96 C 0.4597(8) 1.3387(15) 0.2398(9) 0.058(14) Uiso 1 1 d G . .
H96A H 0.4908 1.3472 0.2364 0.070 Uiso 1 1 calc R . .
C97 C 0.5280(12) 1.297(2) 0.3419(9) 0.061(14) Uiso 1 1 d G . .
C98 C 0.5591(12) 1.2722(16) 0.3753(11) 0.066(15) Uiso 1 1 d G . .
H98A H 0.5627 1.2314 0.3769 0.079 Uiso 1 1 calc R . .
C99 C 0.5849(11) 1.307(2) 0.4065(9) 0.075(16) Uiso 1 1 d G . .
H99A H 0.6062 1.2900 0.4294 0.090 Uiso 1 1 calc R . .
C100 C 0.5796(16) 1.367(2) 0.4042(14) 0.13(3) Uiso 1 1 d G . .
H10B H 0.5972 1.3905 0.4255 0.161 Uiso 1 1 calc R . .
C101 C 0.5484(19) 1.3915(16) 0.3707(18) 0.20(4) Uiso 1 1 d G . .
H10C H 0.5448 1.4323 0.3691 0.235 Uiso 1 1 calc R . .
C102 C 0.5226(15) 1.357(2) 0.3395(13) 0.18(4) Uiso 1 1 d G . .
H10D H 0.5014 1.3737 0.3167 0.221 Uiso 1 1 calc R . .
C103 C 0.5432(10) 1.2527(17) 0.2681(9) 0.062(15) Uiso 1 1 d G . .
C104 C 0.5306(9) 1.2306(17) 0.2278(9) 0.055(13) Uiso 1 1 d G . .
H10E H 0.4992 1.2179 0.2173 0.065 Uiso 1 1 calc R . .
C105 C 0.5641(11) 1.2270(17) 0.2029(7) 0.068(15) Uiso 1 1 d G . .
H10F H 0.5555 1.2119 0.1754 0.082 Uiso 1 1 calc R . .
C106 C 0.6102(10) 1.2456(18) 0.2183(9) 0.084(18) Uiso 1 1 d G . .
H10G H 0.6331 1.2431 0.2013 0.101 Uiso 1 1 calc R . .
C107 C 0.6227(9) 1.2677(18) 0.2585(10) 0.068(16) Uiso 1 1 d G . .
H10H H 0.6542 1.2804 0.2691 0.082 Uiso 1 1 calc R . .
C108 C 0.5893(11) 1.2713(17) 0.2834(8) 0.070(16) Uiso 1 1 d G . .
H10I H 0.5978 1.2864 0.3110 0.084 Uiso 1 1 calc R . .
C109 C 0.2240(8) 1.2223(14) 0.0062(7) 0.021(9) Uiso 1 1 d G . .
C110 C 0.2262(8) 1.1641(13) -0.0038(7) 0.038(11) Uiso 1 1 d G . .
C111 C 0.2553(9) 1.1461(12) -0.0303(8) 0.034(11) Uiso 1 1 d G . .
H11B H 0.2569 1.1064 -0.0371 0.041 Uiso 1 1 calc R . .
C112 C 0.2822(9) 1.1863(15) -0.0467(7) 0.070(16) Uiso 1 1 d G . .
H11C H 0.3022 1.1740 -0.0648 0.084 Uiso 1 1 calc R . .
C113 C 0.2800(9) 1.2445(14) -0.0367(8) 0.036(11) Uiso 1 1 d G . .
H11D H 0.2984 1.2719 -0.0479 0.043 Uiso 1 1 calc R . .
C114 C 0.2509(10) 1.2625(12) -0.0102(8) 0.088(19) Uiso 1 1 d G . .
H11E H 0.2494 1.3022 -0.0034 0.105 Uiso 1 1 calc R . .
C115 C 0.1396(8) 1.2885(13) 0.0159(7) 0.028(10) Uiso 1 1 d G . .
C116 C 0.1423(8) 1.3177(15) -0.0207(7) 0.041(12) Uiso 1 1 d G . .
H11F H 0.1682 1.3110 -0.0338 0.049 Uiso 1 1 calc R . .
C117 C 0.1071(10) 1.3567(14) -0.0380(7) 0.052(13) Uiso 1 1 d G . .
H11G H 0.1090 1.3767 -0.0630 0.062 Uiso 1 1 calc R . .
C118 C 0.0693(9) 1.3665(14) -0.0187(8) 0.040(12) Uiso 1 1 d G . .
H11H H 0.0452 1.3932 -0.0305 0.047 Uiso 1 1 calc R . .
C119 C 0.0666(8) 1.3373(15) 0.0179(8) 0.070(16) Uiso 1 1 d G . .
H11I H 0.0407 1.3441 0.0310 0.083 Uiso 1 1 calc R . .
C120 C 0.1018(9) 1.2983(14) 0.0352(6) 0.024(10) Uiso 1 1 d G . .
H12B H 0.0999 1.2784 0.0602 0.029 Uiso 1 1 calc R . .
C121 C 0.2274(8) 1.3037(13) 0.0759(7) 0.031(10) Uiso 1 1 d G . .
C122 C 0.2104(7) 1.3598(14) 0.0770(8) 0.038(11) Uiso 1 1 d G . .
H12C H 0.1789 1.3687 0.0633 0.045 Uiso 1 1 calc R . .
C123 C 0.2394(10) 1.4027(12) 0.0983(8) 0.058(14) Uiso 1 1 d G . .
H12D H 0.2278 1.4410 0.0991 0.069 Uiso 1 1 calc R . .
C124 C 0.2854(9) 1.3895(14) 0.1184(8) 0.046(12) Uiso 1 1 d G . .
H12E H 0.3052 1.4189 0.1329 0.055 Uiso 1 1 calc R . .
C125 C 0.3024(7) 1.3335(15) 0.1173(8) 0.061(14) Uiso 1 1 d G . .
H12F H 0.3338 1.3245 0.1311 0.074 Uiso 1 1 calc R . .
C126 C 0.2734(9) 1.2906(13) 0.0961(8) 0.043(12) Uiso 1 1 d G . .
H12G H 0.2850 1.2523 0.0953 0.051 Uiso 1 1 calc R . .
C127 C 0.0853(7) 1.1421(14) 0.0308(6) 0.012(8) Uiso 1 1 d G . .
C128 C 0.1094(6) 1.1648(14) 0.0686(7) 0.026(10) Uiso 1 1 d G . .
C129 C 0.0853(9) 1.1762(16) 0.1003(6) 0.065(15) Uiso 1 1 d G . .
H12H H 0.1018 1.1917 0.1262 0.077 Uiso 1 1 calc R . .
C130 C 0.0372(9) 1.1650(16) 0.0943(7) 0.058(14) Uiso 1 1 d G . .
H13A H 0.0207 1.1728 0.1160 0.070 Uiso 1 1 calc R . .
C131 C 0.0131(6) 1.1423(15) 0.0566(8) 0.032(11) Uiso 1 1 d G . .
H13B H -0.0199 1.1346 0.0525 0.039 Uiso 1 1 calc R . .
C132 C 0.0371(7) 1.1308(14) 0.0248(6) 0.041(12) Uiso 1 1 d G . .
H13C H 0.0207 1.1153 -0.0010 0.050 Uiso 1 1 calc R . .
C133 C 0.1039(8) 1.1799(13) -0.0468(6) 0.017(9) Uiso 1 1 d G . .
C134 C 0.0613(8) 1.2097(15) -0.0523(7) 0.042(12) Uiso 1 1 d G . .
H13D H 0.0419 1.2060 -0.0322 0.050 Uiso 1 1 calc R . .
C135 C 0.0470(8) 1.2448(15) -0.0871(8) 0.045(12) Uiso 1 1 d G . .
H13E H 0.0179 1.2651 -0.0908 0.054 Uiso 1 1 calc R . .
C136 C 0.0754(9) 1.2502(14) -0.1164(7) 0.063(15) Uiso 1 1 d G . .
H13F H 0.0656 1.2742 -0.1402 0.076 Uiso 1 1 calc R . .
C137 C 0.1180(9) 1.2205(15) -0.1110(7) 0.036(11) Uiso 1 1 d G . .
H13G H 0.1374 1.2242 -0.1310 0.043 Uiso 1 1 calc R . .
C138 C 0.1323(7) 1.1854(14) -0.0762(7) 0.049(13) Uiso 1 1 d G . .
H13H H 0.1614 1.1650 -0.0724 0.059 Uiso 1 1 calc R . .
C139 C 0.0884(8) 1.0611(12) -0.0336(7) 0.023(10) Uiso 1 1 d G . .
C140 C 0.0880(9) 1.0104(14) -0.0110(6) 0.031(10) Uiso 1 1 d G . .
H14B H 0.1034 1.0091 0.0176 0.037 Uiso 1 1 calc R . .
C141 C 0.0651(11) 0.9616(12) -0.0301(9) 0.069(15) Uiso 1 1 d G . .
H14C H 0.0649 0.9270 -0.0146 0.083 Uiso 1 1 calc R . .
C142 C 0.0426(10) 0.9636(14) -0.0720(9) 0.073(16) Uiso 1 1 d G . .
H14D H 0.0270 0.9303 -0.0851 0.088 Uiso 1 1 calc R . .
C143 C 0.0430(10) 1.0143(16) -0.0947(6) 0.070(16) Uiso 1 1 d G . .
H14E H 0.0276 1.0157 -0.1233 0.084 Uiso 1 1 calc R . .
C144 C 0.0659(10) 1.0631(13) -0.0755(7) 0.038(11) Uiso 1 1 d G . .
H14F H 0.0661 1.0978 -0.0910 0.046 Uiso 1 1 calc R . .
C145 C 0.2551(10) 0.6106(16) 0.0799(7) 0.045(12) Uiso 1 1 d G . .
C146 C 0.2433(10) 0.6244(15) 0.1178(8) 0.036(11) Uiso 1 1 d G . .
C147 C 0.2637(11) 0.5941(16) 0.1537(7) 0.062(15) Uiso 1 1 d G . .
H14G H 0.2557 0.6035 0.1797 0.075 Uiso 1 1 calc R . .
C148 C 0.2957(12) 0.5499(16) 0.1517(8) 0.079(17) Uiso 1 1 d G . .
H14H H 0.3096 0.5292 0.1762 0.095 Uiso 1 1 calc R . .
C149 C 0.3075(11) 0.5361(15) 0.1137(10) 0.070(16) Uiso 1 1 d G . .
H14I H 0.3294 0.5059 0.1123 0.084 Uiso 1 1 calc R . .
C150 C 0.2871(11) 0.5664(16) 0.0778(8) 0.069(16) Uiso 1 1 d G . .
H15B H 0.2951 0.5570 0.0519 0.083 Uiso 1 1 calc R . .
C151 C 0.1781(11) 0.6089(17) 0.0051(9) 0.070(16) Uiso 1 1 d G . .
C152 C 0.1828(11) 0.5491(18) 0.0081(9) 0.083(18) Uiso 1 1 d G . .
H15C H 0.2053 0.5324 0.0303 0.100 Uiso 1 1 calc R . .
C153 C 0.1546(13) 0.5139(15) -0.0213(12) 0.081(17) Uiso 1 1 d G . .
H15D H 0.1578 0.4730 -0.0192 0.098 Uiso 1 1 calc R . .
C154 C 0.1217(12) 0.5383(18) -0.0537(10) 0.09(2) Uiso 1 1 d G . .
H15E H 0.1024 0.5142 -0.0738 0.113 Uiso 1 1 calc R . .
C155 C 0.1170(11) 0.5980(19) -0.0567(9) 0.11(2) Uiso 1 1 d G . .
H15F H 0.0945 0.6147 -0.0788 0.133 Uiso 1 1 calc R . .
C156 C 0.1452(12) 0.6333(15) -0.0273(11) 0.055(14) Uiso 1 1 d G . .
H15G H 0.1420 0.6741 -0.0293 0.066 Uiso 1 1 calc R . .
C157 C 0.2659(10) 0.6498(18) -0.0017(8) 0.089(19) Uiso 1 1 d G . .
C158 C 0.3122(11) 0.6677(18) 0.0132(7) 0.080(17) Uiso 1 1 d G . .
H15H H 0.3217 0.6808 0.0412 0.096 Uiso 1 1 calc R . .
C159 C 0.3446(9) 0.6663(18) -0.0128(10) 0.052(13) Uiso 1 1 d G . .
H15I H 0.3763 0.6785 -0.0027 0.062 Uiso 1 1 calc R . .
C160 C 0.3306(10) 0.647(2) -0.0538(10) 0.15(3) Uiso 1 1 d G . .
H16B H 0.3528 0.6460 -0.0716 0.177 Uiso 1 1 calc R . .
C161 C 0.2843(11) 0.6291(18) -0.0687(7) 0.067(15) Uiso 1 1 d G . .
H16C H 0.2748 0.6159 -0.0967 0.080 Uiso 1 1 calc R . .
C162 C 0.2519(9) 0.6305(16) -0.0426(9) 0.035(11) Uiso 1 1 d G . .
H16D H 0.2203 0.6183 -0.0528 0.042 Uiso 1 1 calc R . .
C163 C 0.1128(8) 0.7142(13) 0.0532(6) 0.020(9) Uiso 1 1 d G . .
C164 C 0.1446(6) 0.7433(14) 0.0339(7) 0.022(9) Uiso 1 1 d G . .
C165 C 0.1279(8) 0.7790(14) -0.0001(8) 0.080(17) Uiso 1 1 d G . .
H16E H 0.1496 0.7989 -0.0133 0.096 Uiso 1 1 calc R . .
C166 C 0.0795(9) 0.7856(14) -0.0149(7) 0.036(11) Uiso 1 1 d G . .
H16F H 0.0682 0.8099 -0.0382 0.043 Uiso 1 1 calc R . .
C167 C 0.0478(6) 0.7565(14) 0.0044(7) 0.051(13) Uiso 1 1 d G . .
H16G H 0.0147 0.7610 -0.0057 0.061 Uiso 1 1 calc R . .
C168 C 0.0645(7) 0.7208(13) 0.0385(7) 0.032(10) Uiso 1 1 d G . .
H16H H 0.0428 0.7009 0.0517 0.038 Uiso 1 1 calc R . .
C169 C 0.0921(9) 0.6743(15) 0.1277(8) 0.048(12) Uiso 1 1 d G . .
C170 C 0.0878(8) 0.7287(13) 0.1446(7) 0.029(10) Uiso 1 1 d G . .
H17B H 0.1059 0.7601 0.1378 0.034 Uiso 1 1 calc R . .
C171 C 0.0571(9) 0.7370(12) 0.1716(7) 0.041(11) Uiso 1 1 d G . .
H17C H 0.0541 0.7742 0.1832 0.049 Uiso 1 1 calc R . .
C172 C 0.0306(8) 0.6910(14) 0.1817(7) 0.038(11) Uiso 1 1 d G . .
H17D H 0.0096 0.6967 0.2002 0.046 Uiso 1 1 calc R . .
C173 C 0.0349(9) 0.6366(13) 0.1648(8) 0.033(11) Uiso 1 1 d G . .
H17E H 0.0168 0.6052 0.1717 0.040 Uiso 1 1 calc R . .
C174 C 0.0657(10) 0.6283(13) 0.1378(9) 0.078(17) Uiso 1 1 d G . .
H17F H 0.0686 0.5912 0.1262 0.094 Uiso 1 1 calc R . .
C175 C 0.1218(11) 0.5911(14) 0.0784(9) 0.048(13) Uiso 1 1 d G . .
C176 C 0.0833(10) 0.5800(14) 0.0462(9) 0.067(15) Uiso 1 1 d G . .
H17G H 0.0675 0.6110 0.0300 0.081 Uiso 1 1 calc R . .
C177 C 0.0679(9) 0.5236(16) 0.0376(8) 0.050(13) Uiso 1 1 d G . .
H17H H 0.0415 0.5160 0.0156 0.060 Uiso 1 1 calc R . .
C178 C 0.0909(11) 0.4782(13) 0.0613(10) 0.059(14) Uiso 1 1 d G . .
H17I H 0.0804 0.4396 0.0555 0.071 Uiso 1 1 calc R . .
C179 C 0.1294(11) 0.4893(15) 0.0936(9) 0.10(2) Uiso 1 1 d G . .
H17J H 0.1452 0.4583 0.1097 0.121 Uiso 1 1 calc R . .
C180 C 0.1449(9) 0.5458(18) 0.1021(8) 0.071(16) Uiso 1 1 d G . .
H18B H 0.1712 0.5533 0.1242 0.085 Uiso 1 1 calc R . .
C181 C 0.0570(11) 0.9256(13) 0.2900(9) 0.056(14) Uiso 1 1 d G . .
C182 C 0.0916(8) 0.8831(15) 0.2991(8) 0.039(11) Uiso 1 1 d G . .
C183 C 0.0812(9) 0.8266(14) 0.2861(8) 0.038(11) Uiso 1 1 d G . .
H18C H 0.1048 0.7975 0.2923 0.046 Uiso 1 1 calc R . .
C184 C 0.0362(10) 0.8125(14) 0.2640(9) 0.055(13) Uiso 1 1 d G . .
H18D H 0.0290 0.7739 0.2552 0.066 Uiso 1 1 calc R . .
C185 C 0.0016(8) 0.8550(17) 0.2550(9) 0.067(16) Uiso 1 1 d G . .
H18E H -0.0292 0.8454 0.2399 0.081 Uiso 1 1 calc R . .
C186 C 0.0120(10) 0.9116(15) 0.2680(10) 0.079(17) Uiso 1 1 d G . .
H18F H -0.0116 0.9406 0.2617 0.095 Uiso 1 1 calc R . .
C187 C 0.0356(14) 1.0432(19) 0.2656(10) 0.068(16) Uiso 1 1 d G . .
C188 C 0.0452(12) 1.0394(18) 0.2258(12) 0.10(2) Uiso 1 1 d G . .
H18G H 0.0691 1.0138 0.2206 0.117 Uiso 1 1 calc R . .
C189 C 0.0199(14) 1.073(2) 0.1936(9) 0.075(17) Uiso 1 1 d G . .
H18H H 0.0265 1.0704 0.1664 0.090 Uiso 1 1 calc R . .
C190 C -0.0149(14) 1.1104(19) 0.2012(11) 0.11(2) Uiso 1 1 d G . .
H19A H -0.0322 1.1334 0.1791 0.131 Uiso 1 1 calc R . .
C191 C -0.0246(13) 1.1143(19) 0.2410(14) 0.11(2) Uiso 1 1 d G . .
H19B H -0.0484 1.1398 0.2462 0.133 Uiso 1 1 calc R . .
C192 C 0.0007(15) 1.081(2) 0.2732(10) 0.10(2) Uiso 1 1 d G . .
H19C H -0.0058 1.0833 0.3005 0.126 Uiso 1 1 calc R . .
C193 C 0.0456(13) 1.0135(18) 0.3489(10) 0.065(15) Uiso 1 1 d G . .
C194 C 0.0041(14) 0.9850(18) 0.3521(12) 0.09(2) Uiso 1 1 d G . .
H19D H -0.0077 0.9547 0.3332 0.111 Uiso 1 1 calc R . .
C195 C -0.0201(12) 1.001(2) 0.3829(15) 0.17(4) Uiso 1 1 d G . .
H19E H -0.0485 0.9814 0.3851 0.205 Uiso 1 1 calc R . .
C196 C -0.0029(15) 1.045(2) 0.4106(13) 0.13(3) Uiso 1 1 d G . .
H19F H -0.0194 1.0561 0.4316 0.153 Uiso 1 1 calc R . .
C197 C 0.0386(16) 1.0737(19) 0.4074(11) 0.11(2) Uiso 1 1 d G . .
H19G H 0.0504 1.1040 0.4262 0.137 Uiso 1 1 calc R . .
C198 C 0.0628(11) 1.0578(18) 0.3765(11) 0.065(15) Uiso 1 1 d G . .
H19H H 0.0912 1.0773 0.3744 0.078 Uiso 1 1 calc R . .
C199 C 0.1739(10) 0.9906(12) 0.4038(9) 0.047(13) Uiso 1 1 d G . .
C200 C 0.1689(9) 1.0326(14) 0.3728(6) 0.030(10) Uiso 1 1 d G . .
C201 C 0.1838(10) 1.0889(13) 0.3830(8) 0.040(12) Uiso 1 1 d G . .
H20A H 0.1803 1.1176 0.3618 0.048 Uiso 1 1 calc R . .
C202 C 0.2037(11) 1.1031(13) 0.4241(9) 0.063(14) Uiso 1 1 d G . .
H20B H 0.2139 1.1416 0.4311 0.075 Uiso 1 1 calc R . .
C203 C 0.2087(11) 1.0611(17) 0.4551(6) 0.091(19) Uiso 1 1 d G . .
H20C H 0.2224 1.0708 0.4832 0.109 Uiso 1 1 calc R . .
C204 C 0.1938(11) 1.0048(15) 0.4449(8) 0.059(14) Uiso 1 1 d G . .
H20D H 0.1973 0.9761 0.4661 0.071 Uiso 1 1 calc R . .
C205 C 0.0991(13) 0.907(2) 0.4049(12) 0.087(19) Uiso 1 1 d G . .
C206 C 0.0698(16) 0.863(2) 0.3857(10) 0.13(3) Uiso 1 1 d G . .
H20E H 0.0755 0.8458 0.3609 0.152 Uiso 1 1 calc R . .
C207 C 0.0321(14) 0.8446(18) 0.4028(13) 0.078(17) Uiso 1 1 d G . .
H20F H 0.0121 0.8145 0.3896 0.094 Uiso 1 1 calc R . .
C208 C 0.0238(14) 0.870(2) 0.4391(14) 0.22(5) Uiso 1 1 d G . .
H20G H -0.0019 0.8573 0.4507 0.267 Uiso 1 1 calc R . .
C209 C 0.0531(16) 0.914(2) 0.4583(11) 0.13(3) Uiso 1 1 d G . .
H20H H 0.0474 0.9314 0.4831 0.161 Uiso 1 1 calc R . .
C210 C 0.0908(14) 0.9327(18) 0.4412(12) 0.073(16) Uiso 1 1 d G . .
H21B H 0.1108 0.9628 0.4543 0.088 Uiso 1 1 calc R . .
C211 C 0.1936(11) 0.8727(17) 0.4249(10) 0.062(15) Uiso 1 1 d G . .
C212 C 0.1787(10) 0.8390(19) 0.4549(12) 0.088(19) Uiso 1 1 d G . .
H21C H 0.1463 0.8384 0.4565 0.105 Uiso 1 1 calc R . .
C213 C 0.2113(14) 0.8061(18) 0.4825(10) 0.11(2) Uiso 1 1 d G . .
H21D H 0.2011 0.7830 0.5030 0.132 Uiso 1 1 calc R . .
C214 C 0.2587(13) 0.8069(18) 0.4802(11) 0.087(18) Uiso 1 1 d G . .
H21E H 0.2810 0.7844 0.4991 0.105 Uiso 1 1 calc R . .
C215 C 0.2737(9) 0.8406(19) 0.4502(12) 0.10(2) Uiso 1 1 d G . .
H21F H 0.3061 0.8412 0.4486 0.115 Uiso 1 1 calc R . .
C216 C 0.2411(12) 0.8735(17) 0.4225(10) 0.069(16) Uiso 1 1 d G . .
H21G H 0.2513 0.8966 0.4021 0.083 Uiso 1 1 calc R . .
C217 C 0.1616(8) 0.9394(12) 0.1899(4) 0.022(3) Uiso 1 1 d GD . .
C218 C 0.1706(8) 0.8869(11) 0.1724(6) 0.022(3) Uiso 1 1 d G . .
H21H H 0.1713 0.8522 0.1880 0.026 Uiso 1 1 calc R . .
C219 C 0.1787(8) 0.8852(11) 0.1319(6) 0.022(3) Uiso 1 1 d GD . .
C220 C 0.1776(8) 0.9360(12) 0.1090(4) 0.022(3) Uiso 1 1 d G . .
H22B H 0.1831 0.9349 0.0814 0.026 Uiso 1 1 calc R . .
C221 C 0.1686(8) 0.9884(11) 0.1266(6) 0.022(3) Uiso 1 1 d GD . .
C222 C 0.1606(8) 0.9901(10) 0.1670(6) 0.022(3) Uiso 1 1 d G . .
H22C H 0.1545 1.0260 0.1790 0.026 Uiso 1 1 calc R . .
C223 C 0.1604(12) 0.939(2) 0.2355(5) 0.022(3) Uiso 1 1 d D . .
C224 C 0.1888(12) 0.8302(13) 0.1112(10) 0.022(3) Uiso 1 1 d D . .
C225 C 0.1752(12) 1.0413(13) 0.1019(10) 0.022(3) Uiso 1 1 d D . .
C226 C 0.3321(5) 1.1141(12) 0.1172(5) 0.017(3) Uiso 1 1 d GD . .
C227 C 0.3463(6) 1.1391(12) 0.1565(6) 0.017(3) Uiso 1 1 d G . .
H22D H 0.3255 1.1643 0.1669 0.020 Uiso 1 1 calc R . .
C228 C 0.3909(7) 1.1272(12) 0.1804(4) 0.017(3) Uiso 1 1 d GD . .
C229 C 0.4213(5) 1.0904(12) 0.1650(5) 0.017(3) Uiso 1 1 d G . .
H22E H 0.4518 1.0823 0.1814 0.020 Uiso 1 1 calc R . .
C230 C 0.4071(6) 1.0655(12) 0.1258(6) 0.017(3) Uiso 1 1 d GD . .
C231 C 0.3625(7) 1.0773(12) 0.1019(5) 0.017(3) Uiso 1 1 d G . .
H23B H 0.3528 1.0603 0.0751 0.020 Uiso 1 1 calc R . .
C232 C 0.2822(6) 1.1251(18) 0.0950(9) 0.017(3) Uiso 1 1 d D . .
C233 C 0.4016(12) 1.1513(17) 0.2242(6) 0.017(3) Uiso 1 1 d D . .
C234 C 0.4376(10) 1.0265(15) 0.1055(10) 0.017(3) Uiso 1 1 d D . .
C235 C 0.3499(6) 0.7727(14) 0.1451(6) 0.029(3) Uiso 1 1 d GD . .
C236 C 0.3741(7) 0.8041(14) 0.1199(4) 0.029(3) Uiso 1 1 d G . .
H23C H 0.3605 0.8095 0.0912 0.035 Uiso 1 1 calc R . .
C237 C 0.4181(7) 0.8278(13) 0.1369(6) 0.029(3) Uiso 1 1 d GD . .
C238 C 0.4379(6) 0.8199(13) 0.1789(6) 0.029(3) Uiso 1 1 d G . .
H23D H 0.4680 0.8361 0.1905 0.035 Uiso 1 1 calc R . .
C239 C 0.4138(7) 0.7885(14) 0.2041(4) 0.029(3) Uiso 1 1 d GD . .
C240 C 0.3698(7) 0.7649(13) 0.1872(6) 0.029(3) Uiso 1 1 d G . .
H24B H 0.3533 0.7434 0.2044 0.035 Uiso 1 1 calc R . .
C241 C 0.3012(8) 0.7488(19) 0.1293(10) 0.029(3) Uiso 1 1 d D . .
C242 C 0.4422(13) 0.8683(16) 0.1121(10) 0.029(3) Uiso 1 1 d D . .
C243 C 0.4306(13) 0.776(2) 0.2497(6) 0.029(3) Uiso 1 1 d D . .
C244 C 0.3752(7) 1.0227(11) 0.3258(7) 0.026(3) Uiso 1 1 d GD . .
C245 C 0.3271(7) 1.0225(11) 0.3257(7) 0.026(3) Uiso 1 1 d G . .
H24C H 0.3096 1.0575 0.3217 0.031 Uiso 1 1 calc R . .
C246 C 0.3045(5) 0.9710(12) 0.3316(7) 0.026(3) Uiso 1 1 d GD . .
C247 C 0.3301(7) 0.9197(11) 0.3374(7) 0.026(3) Uiso 1 1 d G . .
H24D H 0.3147 0.8845 0.3414 0.031 Uiso 1 1 calc R . .
C248 C 0.3782(7) 0.9199(11) 0.3375(7) 0.026(3) Uiso 1 1 d GD . .
C249 C 0.4008(5) 0.9714(12) 0.3317(7) 0.026(3) Uiso 1 1 d G . .
H24E H 0.4336 0.9716 0.3317 0.031 Uiso 1 1 calc R . .
C250 C 0.3993(13) 1.0781(13) 0.3185(11) 0.026(3) Uiso 1 1 d D . .
C251 C 0.2519(6) 0.968(2) 0.3259(11) 0.026(3) Uiso 1 1 d D . .
C252 C 0.4091(12) 0.8678(14) 0.3381(11) 0.026(3) Uiso 1 1 d D . .
N1 N 0.3888(8) 0.9465(15) -0.0045(7) 0.054(10) Uiso 1 1 d G . .
C253 C 0.3884(10) 0.9466(16) -0.0470(8) 0.045(12) Uiso 1 1 d G . .
H25A H 0.4136 0.9292 -0.0571 0.054 Uiso 1 1 calc R . .
C254 C 0.3511(12) 0.9720(19) -0.0748(6) 0.15(3) Uiso 1 1 d G . .
H25B H 0.3508 0.9721 -0.1039 0.184 Uiso 1 1 calc R . .
C255 C 0.3141(10) 0.9975(18) -0.0600(8) 0.088(19) Uiso 1 1 d G . .
H25C H 0.2886 1.0149 -0.0790 0.106 Uiso 1 1 calc R . .
C256 C 0.3146(8) 0.9974(15) -0.0174(8) 0.031(10) Uiso 1 1 d G . .
H25D H 0.2894 1.0148 -0.0073 0.038 Uiso 1 1 calc R . .
C257 C 0.3519(9) 0.9720(15) 0.0104(6) 0.043(12) Uiso 1 1 d G . .
H25E H 0.3522 0.9720 0.0394 0.051 Uiso 1 1 calc R . .
N2 N 0.5671(7) 0.9417(13) 0.1726(6) 0.020(7) Uiso 1 1 d G . .
C258 C 0.5444(6) 0.9184(15) 0.2023(7) 0.062(15) Uiso 1 1 d G . .
H25F H 0.5109 0.9170 0.1971 0.075 Uiso 1 1 calc R . .
C259 C 0.5708(9) 0.8972(16) 0.2397(7) 0.065(15) Uiso 1 1 d G . .
H25G H 0.5553 0.8813 0.2600 0.078 Uiso 1 1 calc R . .
C260 C 0.6199(9) 0.8993(15) 0.2473(6) 0.049(12) Uiso 1 1 d G . .
H26B H 0.6380 0.8849 0.2729 0.059 Uiso 1 1 calc R . .
C261 C 0.6426(6) 0.9226(16) 0.2176(8) 0.057(14) Uiso 1 1 d G . .
H26C H 0.6762 0.9241 0.2228 0.068 Uiso 1 1 calc R . .
C262 C 0.6162(7) 0.9438(14) 0.1802(7) 0.045(12) Uiso 1 1 d G . .
H26D H 0.6318 0.9598 0.1599 0.054 Uiso 1 1 calc R . .
N3 N 0.3561(9) 0.6855(15) 0.3204(9) 0.059(11) Uiso 1 1 d G . .
C263 C 0.3287(11) 0.6990(14) 0.2815(9) 0.076(17) Uiso 1 1 d G . .
H26E H 0.3332 0.7348 0.2685 0.091 Uiso 1 1 calc R . .
C264 C 0.2948(10) 0.6602(17) 0.2614(7) 0.067(15) Uiso 1 1 d G . .
H26F H 0.2761 0.6694 0.2348 0.080 Uiso 1 1 calc R . .
C265 C 0.2882(10) 0.6079(16) 0.2803(10) 0.054(13) Uiso 1 1 d G . .
H26G H 0.2651 0.5814 0.2666 0.065 Uiso 1 1 calc R . .
C266 C 0.3156(13) 0.5944(14) 0.3193(10) 0.12(2) Uiso 1 1 d G . .
H26H H 0.3111 0.5586 0.3322 0.139 Uiso 1 1 calc R . .
C267 C 0.3495(11) 0.6332(17) 0.3394(8) 0.072(16) Uiso 1 1 d G . .
H26I H 0.3682 0.6240 0.3660 0.086 Uiso 1 1 calc R . .
N4 N 0.5478(9) 0.8759(12) 0.3348(7) 0.029(8) Uiso 1 1 d G . .
C268 C 0.5947(9) 0.8755(14) 0.3562(9) 0.069(16) Uiso 1 1 d G . .
H26J H 0.6109 0.8398 0.3623 0.083 Uiso 1 1 calc R . .
C269 C 0.6177(7) 0.9272(17) 0.3687(9) 0.11(2) Uiso 1 1 d G . .
H26K H 0.6497 0.9269 0.3833 0.128 Uiso 1 1 calc R . .
C270 C 0.5939(11) 0.9794(14) 0.3598(9) 0.049(13) Uiso 1 1 d G . .
H27B H 0.6097 1.0147 0.3683 0.059 Uiso 1 1 calc R . .
C271 C 0.5471(11) 0.9798(12) 0.3384(9) 0.086(19) Uiso 1 1 d G . .
H27C H 0.5308 1.0154 0.3323 0.104 Uiso 1 1 calc R . .
C272 C 0.5240(7) 0.9280(14) 0.3259(7) 0.029(10) Uiso 1 1 d G . .
H27D H 0.4920 0.9283 0.3113 0.035 Uiso 1 1 calc R . .
N5 N 0.3140(8) 1.2243(15) 0.3005(8) 0.048(10) Uiso 1 1 d G . .
C273 C 0.2858(10) 1.1752(13) 0.2950(8) 0.036(11) Uiso 1 1 d G . .
H27E H 0.2962 1.1414 0.2831 0.043 Uiso 1 1 calc R . .
C274 C 0.2423(10) 1.1755(15) 0.3069(10) 0.11(2) Uiso 1 1 d G . .
H27F H 0.2230 1.1419 0.3031 0.126 Uiso 1 1 calc R . .
C275 C 0.2271(8) 1.2250(17) 0.3243(10) 0.058(14) Uiso 1 1 d G . .
H27G H 0.1974 1.2252 0.3324 0.070 Uiso 1 1 calc R . .
C276 C 0.2553(11) 1.2741(14) 0.3298(9) 0.072(16) Uiso 1 1 d G . .
H27H H 0.2449 1.3080 0.3417 0.086 Uiso 1 1 calc R . .
C277 C 0.2988(10) 1.2738(13) 0.3179(9) 0.060(14) Uiso 1 1 d G . .
H27I H 0.3181 1.3074 0.3216 0.072 Uiso 1 1 calc R . .
N6 N 0.5371(7) 1.1157(13) 0.2956(7) 0.044(10) Uiso 1 1 d G . .
C278 C 0.5837(8) 1.1322(14) 0.3109(7) 0.035(11) Uiso 1 1 d G . .
H27J H 0.5913 1.1569 0.3345 0.042 Uiso 1 1 calc R . .
C279 C 0.6193(7) 1.1124(16) 0.2917(9) 0.062(14) Uiso 1 1 d G . .
H27K H 0.6512 1.1236 0.3021 0.075 Uiso 1 1 calc R . .
C280 C 0.6083(8) 1.0761(16) 0.2571(9) 0.075(17) Uiso 1 1 d G . .
H28B H 0.6327 1.0626 0.2440 0.090 Uiso 1 1 calc R . .
C281 C 0.5617(10) 1.0597(14) 0.2418(7) 0.062(15) Uiso 1 1 d G . .
H28C H 0.5542 1.0350 0.2182 0.074 Uiso 1 1 calc R . .
C282 C 0.5261(7) 1.0795(13) 0.2610(7) 0.022(9) Uiso 1 1 d G . .
H28D H 0.4942 1.0683 0.2506 0.026 Uiso 1 1 calc R . .
N7 N 0.1901(9) 1.2218(13) 0.1440(7) 0.052(11) Uiso 1 1 d G . .
C283 C 0.2317(9) 1.2088(12) 0.1723(8) 0.062(14) Uiso 1 1 d G . .
H28E H 0.2480 1.1739 0.1696 0.074 Uiso 1 1 calc R . .
C284 C 0.2494(7) 1.2471(14) 0.2045(7) 0.030(10) Uiso 1 1 d G . .
H28F H 0.2778 1.2382 0.2239 0.036 Uiso 1 1 calc R . .
C285 C 0.2255(9) 1.2982(13) 0.2085(7) 0.037(11) Uiso 1 1 d G . .
H28G H 0.2375 1.3243 0.2305 0.044 Uiso 1 1 calc R . .
C286 C 0.1839(9) 1.3112(12) 0.1802(8) 0.085(18) Uiso 1 1 d G . .
H28H H 0.1675 1.3461 0.1829 0.102 Uiso 1 1 calc R . .
C287 C 0.1662(7) 1.2729(14) 0.1479(7) 0.022(9) Uiso 1 1 d G . .
H28I H 0.1378 1.2818 0.1286 0.026 Uiso 1 1 calc R . .
N8 N 0.2020(9) 1.0262(13) -0.0155(7) 0.031(8) Uiso 1 1 d G . .
C288 C 0.1846(10) 1.0266(14) -0.0584(7) 0.072(16) Uiso 1 1 d G . .
H28J H 0.1810 1.0621 -0.0732 0.086 Uiso 1 1 calc R . .
C289 C 0.1725(11) 0.9749(17) -0.0796(6) 0.068(16) Uiso 1 1 d G . .
H28K H 0.1606 0.9752 -0.1089 0.082 Uiso 1 1 calc R . .
C290 C 0.1777(12) 0.9229(14) -0.0579(10) 0.088(19) Uiso 1 1 d G . .
H29B H 0.1694 0.8876 -0.0724 0.106 Uiso 1 1 calc R . .
C291 C 0.1951(12) 0.9225(13) -0.0150(10) 0.074(17) Uiso 1 1 d G . .
H29C H 0.1986 0.8869 -0.0002 0.089 Uiso 1 1 calc R . .
C292 C 0.2072(9) 0.9741(15) 0.0062(6) 0.052(13) Uiso 1 1 d G . .
H29D H 0.2191 0.9738 0.0356 0.063 Uiso 1 1 calc R . .
N9 N 0.2380(9) 0.7865(14) 0.0029(7) 0.045(10) Uiso 1 1 d G . .
C293 C 0.2771(9) 0.8221(14) 0.0153(6) 0.034(11) Uiso 1 1 d G . .
H29E H 0.2864 0.8337 0.0436 0.040 Uiso 1 1 calc R . .
C294 C 0.3026(9) 0.8408(15) -0.0139(8) 0.042(12) Uiso 1 1 d G . .
H29F H 0.3293 0.8651 -0.0055 0.051 Uiso 1 1 calc R . .
C295 C 0.2889(11) 0.8239(17) -0.0554(7) 0.079(17) Uiso 1 1 d G . .
H29G H 0.3063 0.8367 -0.0754 0.095 Uiso 1 1 calc R . .
C296 C 0.2498(12) 0.7883(18) -0.0678(6) 0.079(17) Uiso 1 1 d G . .
H29H H 0.2404 0.7767 -0.0961 0.095 Uiso 1 1 calc R . .
C297 C 0.2243(9) 0.7696(15) -0.0386(8) 0.067(15) Uiso 1 1 d G . .
H29I H 0.1975 0.7453 -0.0470 0.080 Uiso 1 1 calc R . .
N10 N 0.1959(8) 0.6816(13) 0.1888(6) 0.035(9) Uiso 1 1 d G . .
C298 C 0.1982(9) 0.7316(12) 0.2127(8) 0.040(11) Uiso 1 1 d G . .
H29J H 0.2138 0.7649 0.2052 0.049 Uiso 1 1 calc R . .
C299 C 0.1776(11) 0.7328(14) 0.2476(8) 0.090(19) Uiso 1 1 d G . .
H29K H 0.1792 0.7670 0.2639 0.108 Uiso 1 1 calc R . .
C300 C 0.1548(11) 0.6841(16) 0.2585(7) 0.056(14) Uiso 1 1 d G . .
H30B H 0.1408 0.6849 0.2823 0.067 Uiso 1 1 calc R . .
C301 C 0.1526(10) 0.6341(14) 0.2346(9) 0.070(16) Uiso 1 1 d G . .
H30C H 0.1370 0.6008 0.2421 0.084 Uiso 1 1 calc R . .
C302 C 0.1731(9) 0.6328(12) 0.1998(8) 0.038(11) Uiso 1 1 d G . .
H30D H 0.1716 0.5987 0.1834 0.046 Uiso 1 1 calc R . .
N11 N 0.1415(10) 1.1014(14) 0.2827(7) 0.043(9) Uiso 1 1 d G . .
C303 C 0.1604(9) 1.1063(15) 0.2471(8) 0.042(12) Uiso 1 1 d G . .
H30E H 0.1807 1.0771 0.2405 0.051 Uiso 1 1 calc R . .
C304 C 0.1494(13) 1.1541(18) 0.2211(8) 0.069(16) Uiso 1 1 d G . .
H30F H 0.1623 1.1575 0.1967 0.082 Uiso 1 1 calc R . .
C305 C 0.1196(15) 1.1968(16) 0.2307(12) 0.19(4) Uiso 1 1 d G . .
H30G H 0.1122 1.2295 0.2130 0.223 Uiso 1 1 calc R . .
C306 C 0.1008(14) 1.1919(16) 0.2664(13) 0.11(2) Uiso 1 1 d G . .
H30H H 0.0805 1.2211 0.2730 0.131 Uiso 1 1 calc R . .
C307 C 0.1118(11) 1.1441(18) 0.2924(9) 0.085(18) Uiso 1 1 d G . .
H30I H 0.0989 1.1408 0.3168 0.102 Uiso 1 1 calc R . .
N12 N 0.1911(11) 0.8067(15) 0.3349(9) 0.065(12) Uiso 1 1 d G . .
C308 C 0.2364(12) 0.8023(17) 0.3271(10) 0.072(16) Uiso 1 1 d G . .
H30J H 0.2472 0.8300 0.3098 0.086 Uiso 1 1 calc R . .
C309 C 0.2659(10) 0.7575(19) 0.3447(12) 0.10(2) Uiso 1 1 d G . .
H30K H 0.2969 0.7545 0.3394 0.118 Uiso 1 1 calc R . .
C310 C 0.2501(14) 0.7171(16) 0.3701(12) 0.10(2) Uiso 1 1 d G . .
H31A H 0.2703 0.6864 0.3821 0.116 Uiso 1 1 calc R . .
C311 C 0.2047(15) 0.7215(17) 0.3779(11) 0.13(3) Uiso 1 1 d G . .
H31B H 0.1939 0.6938 0.3953 0.156 Uiso 1 1 calc R . .
C312 C 0.1752(10) 0.7663(19) 0.3603(11) 0.10(2) Uiso 1 1 d G . .
H31C H 0.1442 0.7693 0.3656 0.115 Uiso 1 1 calc R . .
N1S N 0.3231(9) 0.9534(15) 0.1966(8) 0.025(8) Uiso 1 1 d D . .
C11S C 0.316(2) 0.923(3) 0.2314(16) 0.12(2) Uiso 1 1 d D . .
H11J H 0.3001 0.9493 0.2479 0.140 Uiso 1 1 calc R . .
H11K H 0.3476 0.9143 0.2487 0.140 Uiso 1 1 calc R . .
C12S C 0.287(3) 0.863(4) 0.227(2) 0.13(3) Uiso 1 1 d . . .
H12I H 0.2843 0.8487 0.2542 0.195 Uiso 1 1 calc R . .
H12J H 0.3028 0.8344 0.2125 0.195 Uiso 1 1 calc R . .
H12K H 0.2547 0.8698 0.2099 0.195 Uiso 1 1 calc R . .
C13S C 0.324(3) 0.915(3) 0.164(2) 0.37(10) Uiso 1 1 d D . .
H13I H 0.2983 0.8874 0.1634 0.441 Uiso 1 1 calc R . .
H13J H 0.3542 0.8932 0.1717 0.441 Uiso 1 1 calc R . .
C14S C 0.321(2) 0.936(3) 0.1187(18) 0.10(2) Uiso 1 1 d . . .
H14J H 0.3216 0.9024 0.1005 0.152 Uiso 1 1 calc R . .
H14K H 0.3478 0.9613 0.1174 0.152 Uiso 1 1 calc R . .
H14L H 0.2913 0.9572 0.1093 0.152 Uiso 1 1 calc R . .
C15S C 0.286(2) 0.993(3) 0.184(2) 0.28(7) Uiso 1 1 d D . .
H15J H 0.2569 0.9702 0.1760 0.338 Uiso 1 1 calc R . .
H15K H 0.2919 1.0126 0.1591 0.338 Uiso 1 1 calc R . .
C16S C 0.276(2) 1.042(3) 0.2163(18) 0.09(2) Uiso 1 1 d . . .
H16I H 0.2506 1.0675 0.2021 0.138 Uiso 1 1 calc R . .
H16J H 0.3049 1.0655 0.2257 0.138 Uiso 1 1 calc R . .
H16K H 0.2670 1.0243 0.2405 0.138 Uiso 1 1 calc R . .
C17S C 0.366(2) 0.983(3) 0.207(2) 0.21(5) Uiso 1 1 d D . .
H17K H 0.3621 1.0101 0.2293 0.257 Uiso 1 1 calc R . .
H17L H 0.3667 1.0077 0.1820 0.257 Uiso 1 1 calc R . .
C18S C 0.415(2) 0.960(4) 0.220(2) 0.14(3) Uiso 1 1 d D . .
H18I H 0.4376 0.9927 0.2238 0.212 Uiso 1 1 calc R . .
H18J H 0.4222 0.9345 0.1981 0.212 Uiso 1 1 calc R . .
H18K H 0.4182 0.9390 0.2460 0.212 Uiso 1 1 calc R . .
C1S C 0.4412(9) 0.226(2) 0.0847(12) 0.14(3) Uiso 1 1 d D . .
Cl1 Cl 0.4383(8) 0.2624(13) 0.1316(6) 0.151(8) Uiso 1 1 d D . .
Cl2 Cl 0.3804(5) 0.2412(11) 0.0543(5) 0.096(5) Uiso 1 1 d D . .
C2S C 0.3613(11) 0.9332(13) 0.4854(17) 0.16(3) Uiso 1 1 d D . .
Cl3 Cl 0.4099(10) 0.9265(16) 0.4606(10) 0.231(14) Uiso 1 1 d D . .
Cl4 Cl 0.3399(14) 1.0063(14) 0.4661(14) 0.32(2) Uiso 1 1 d D . .
C3S C 0.0451(17) 0.9190(12) 0.086(2) 0.29(7) Uiso 1 1 d D . .
Cl5 Cl 0.0227(13) 0.9901(11) 0.0864(11) 0.243(15) Uiso 1 1 d D . .
Cl6 Cl 0.0146(19) 0.8848(16) 0.1249(15) 0.36(3) Uiso 1 1 d D . .
C4S C 0.478(3) 0.696(4) 0.1132(13) 0.21(5) Uiso 1 1 d D . .
Cl7 Cl 0.4296(16) 0.648(2) 0.0973(11) 0.35(3) Uiso 1 1 d D . .
Cl8 Cl 0.4916(10) 0.6801(15) 0.1703(8) 0.187(11) Uiso 1 1 d 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
Rh1 C20 2.061(19) . ?
Rh1 O3 2.15(2) . ?
Rh1 P1 2.184(12) . ?
Rh1 O1 2.19(2) . ?
Rh1 N1 2.24(2) . ?
Rh1 Rh2 2.540(4) . ?
Rh2 C2 2.087(19) . ?
Rh2 O4 2.12(3) . ?
Rh2 O2 2.16(2) . ?
Rh2 P2 2.183(11) . ?
Rh2 N2 2.255(17) . ?
Rh3 C56 2.055(17) . ?
Rh3 O5 2.09(3) . ?
Rh3 O7 2.11(2) . ?
Rh3 P3 2.274(14) . ?
Rh3 N3 2.29(2) . ?
Rh3 Rh4 2.56(2) . ?
Rh4 C38 2.04(2) . ?
Rh4 O6 2.13(3) . ?
Rh4 P4 2.197(11) . ?
Rh4 O8 2.23(2) . ?
Rh4 N4 2.26(2) . ?
Rh5 C92 2.08(2) . ?
Rh5 O9 2.13(4) . ?
Rh5 O11 2.14(2) . ?
Rh5 P5 2.219(11) . ?
Rh5 N5 2.23(2) . ?
Rh5 Rh6 2.55(1) . ?
Rh6 C74 2.074(18) . ?
Rh6 O12 2.17(2) . ?
Rh6 P6 2.193(15) . ?
Rh6 O10 2.20(3) . ?
Rh6 N6 2.274(19) . ?
Rh7 C128 2.058(17) . ?
Rh7 O15 2.14(2) . ?
Rh7 O13 2.17(3) . ?
Rh7 N7 2.235(19) . ?
Rh7 P7 2.254(12) . ?
Rh7 Rh8 2.56(2) . ?
Rh8 C110 2.029(19) . ?
Rh8 O14 2.15(3) . ?
Rh8 O16 2.20(2) . ?
Rh8 P8 2.214(11) . ?
Rh8 N8 2.29(2) . ?
Rh9 C164 2.018(17) . ?
Rh9 O19 2.10(2) . ?
Rh9 P9 2.182(15) . ?
Rh9 N9 2.24(2) . ?
Rh9 O17 2.24(2) . ?
Rh9 Rh10 2.53(1) . ?
Rh10 C146 2.06(2) . ?
Rh10 O18 2.14(3) . ?
Rh10 O20 2.18(2) . ?
Rh10 P10 2.194(12) . ?
Rh10 N10 2.208(18) . ?
Rh11 C200 2.042(19) . ?
Rh11 O21 2.15(2) . ?
Rh11 O23 2.18(3) . ?
Rh11 P11 2.177(14) . ?
Rh11 N11 2.26(3) . ?
Rh11 Rh12 2.55(3) . ?
Rh12 C182 2.06(2) . ?
Rh12 O22 2.13(2) . ?
Rh12 O24 2.18(3) . ?
Rh12 P12 2.230(13) . ?
Rh12 N12 2.39(3) . ?
P1 C7 1.82(2) . ?
P1 C13 1.82(2) . ?
P1 C1 1.85(2) . ?
P2 C19 1.80(2) . ?
P2 C31 1.83(2) . ?
P2 C25 1.89(2) . ?
P3 C43 1.79(2) . ?
P3 C37 1.79(2) . ?
P3 C49 1.81(2) . ?
P4 C55 1.78(2) . ?
P4 C61 1.83(3) . ?
P4 C67 1.85(3) . ?
P5 C73 1.77(2) . ?
P5 C79 1.82(2) . ?
P5 C85 1.91(3) . ?
P6 C97 1.79(3) . ?
P6 C103 1.82(2) . ?
P6 C91 1.88(2) . ?
P7 C109 1.81(2) . ?
P7 C121 1.84(2) . ?
P7 C115 1.87(2) . ?
P8 C127 1.742(19) . ?
P8 C139 1.85(2) . ?
P8 C133 1.87(2) . ?
P9 C145 1.81(3) . ?
P9 C151 1.83(3) . ?
P9 C157 1.85(2) . ?
P10 C163 1.75(2) . ?
P10 C169 1.78(2) . ?
P10 C175 1.87(3) . ?
P11 C193 1.79(3) . ?
P11 C181 1.84(3) . ?
P11 C187 1.86(3) . ?
P12 C205 1.74(3) . ?
P12 C211 1.81(3) . ?
P12 C199 1.84(3) . ?
O1 C234 1.17(3) . ?
O2 C234 1.42(4) . ?
O3 C242 1.31(4) . ?
O4 C242 1.30(4) . ?
O5 C252 1.49(4) . ?
O6 C252 1.19(4) . ?
O7 C243 1.12(4) . ?
O8 C243 1.50(5) . ?
O9 C250 1.28(4) . ?
O10 C250 1.18(4) . ?
O11 C233 1.26(3) . ?
O12 C233 1.32(4) . ?
O13 C225 1.36(4) . ?
O14 C225 1.25(4) . ?
O15 C232 1.23(4) . ?
O16 C232 1.44(4) . ?
O17 C224 1.15(3) . ?
O18 C224 1.33(4) . ?
O19 C241 1.45(4) . ?
O20 C241 1.27(4) . ?
O21 C223 1.35(4) . ?
O22 C223 1.19(4) . ?
O23 C251 1.25(4) . ?
O24 C251 1.30(4) . ?
C1 C2 1.3900 . ?
C1 C6 1.3900 . ?
C2 C3 1.3900 . ?
C3 C4 1.3900 . ?
C4 C5 1.3900 . ?
C5 C6 1.3900 . ?
C7 C8 1.3900 . ?
C7 C12 1.3900 . ?
C8 C9 1.3900 . ?
C9 C10 1.3900 . ?
C10 C11 1.3900 . ?
C11 C12 1.3900 . ?
C13 C14 1.3900 . ?
C13 C18 1.3900 . ?
C14 C15 1.3900 . ?
C15 C16 1.3900 . ?
C16 C17 1.3900 . ?
C17 C18 1.3900 . ?
C19 C20 1.3900 . ?
C19 C24 1.3900 . ?
C20 C21 1.3900 . ?
C21 C22 1.3900 . ?
C22 C23 1.3900 . ?
C23 C24 1.3900 . ?
C25 C26 1.3900 . ?
C25 C30 1.3900 . ?
C26 C27 1.3900 . ?
C27 C28 1.3900 . ?
C28 C29 1.3900 . ?
C29 C30 1.3900 . ?
C31 C32 1.3900 . ?
C31 C36 1.3900 . ?
C32 C33 1.3900 . ?
C33 C34 1.3900 . ?
C34 C35 1.3900 . ?
C35 C36 1.3900 . ?
C37 C38 1.3900 . ?
C37 C42 1.3900 . ?
C38 C39 1.3900 . ?
C39 C40 1.3900 . ?
C40 C41 1.3900 . ?
C41 C42 1.3900 . ?
C43 C44 1.3900 . ?
C43 C48 1.3900 . ?
C44 C45 1.3900 . ?
C45 C46 1.3900 . ?
C46 C47 1.3900 . ?
C47 C48 1.3900 . ?
C49 C50 1.3900 . ?
C49 C54 1.3900 . ?
C50 C51 1.3900 . ?
C51 C52 1.3900 . ?
C52 C53 1.3900 . ?
C53 C54 1.3900 . ?
C55 C56 1.3900 . ?
C55 C60 1.3900 . ?
C56 C57 1.3900 . ?
C57 C58 1.3900 . ?
C58 C59 1.3900 . ?
C59 C60 1.3900 . ?
C61 C62 1.3900 . ?
C61 C66 1.3900 . ?
C62 C63 1.3900 . ?
C63 C64 1.3900 . ?
C64 C65 1.3900 . ?
C65 C66 1.3900 . ?
C67 C68 1.3900 . ?
C67 C72 1.3900 . ?
C68 C69 1.3900 . ?
C69 C70 1.3900 . ?
C70 C71 1.3900 . ?
C71 C72 1.3900 . ?
C73 C74 1.3900 . ?
C73 C78 1.3900 . ?
C74 C75 1.3900 . ?
C75 C76 1.3900 . ?
C76 C77 1.3900 . ?
C77 C78 1.3900 . ?
C79 C80 1.3900 . ?
C79 C84 1.3900 . ?
C80 C81 1.3900 . ?
C81 C82 1.3900 . ?
C82 C83 1.3900 . ?
C83 C84 1.3900 . ?
C85 C86 1.3900 . ?
C85 C90 1.3900 . ?
C86 C87 1.3900 . ?
C87 C88 1.3900 . ?
C88 C89 1.3900 . ?
C89 C90 1.3900 . ?
C91 C92 1.3900 . ?
C91 C96 1.3900 . ?
C92 C93 1.3900 . ?
C93 C94 1.3900 . ?
C94 C95 1.3900 . ?
C95 C96 1.3900 . ?
C97 C98 1.3900 . ?
C97 C102 1.3900 . ?
C98 C99 1.3900 . ?
C99 C100 1.3900 . ?
C100 C101 1.3900 . ?
C101 C102 1.3900 . ?
C103 C104 1.3900 . ?
C103 C108 1.3900 . ?
C104 C105 1.3900 . ?
C105 C106 1.3900 . ?
C106 C107 1.3900 . ?
C107 C108 1.3900 . ?
C109 C110 1.3900 . ?
C109 C114 1.3900 . ?
C110 C111 1.3900 . ?
C111 C112 1.3900 . ?
C112 C113 1.3900 . ?
C113 C114 1.3900 . ?
C115 C116 1.3900 . ?
C115 C120 1.3900 . ?
C116 C117 1.3900 . ?
C117 C118 1.3900 . ?
C118 C119 1.3900 . ?
C119 C120 1.3900 . ?
C121 C122 1.3900 . ?
C121 C126 1.3900 . ?
C122 C123 1.3900 . ?
C123 C124 1.3900 . ?
C124 C125 1.3900 . ?
C125 C126 1.3900 . ?
C127 C128 1.3900 . ?
C127 C132 1.3900 . ?
C128 C129 1.3900 . ?
C129 C130 1.3900 . ?
C130 C131 1.3900 . ?
C131 C132 1.3900 . ?
C133 C134 1.3900 . ?
C133 C138 1.3900 . ?
C134 C135 1.3900 . ?
C135 C136 1.3900 . ?
C136 C137 1.3900 . ?
C137 C138 1.3900 . ?
C139 C140 1.3900 . ?
C139 C144 1.3900 . ?
C140 C141 1.3900 . ?
C141 C142 1.3900 . ?
C142 C143 1.3900 . ?
C143 C144 1.3900 . ?
C145 C146 1.3900 . ?
C145 C150 1.3900 . ?
C146 C147 1.3900 . ?
C147 C148 1.3900 . ?
C148 C149 1.3900 . ?
C149 C150 1.3900 . ?
C151 C152 1.3900 . ?
C151 C156 1.3900 . ?
C152 C153 1.3900 . ?
C153 C154 1.3900 . ?
C154 C155 1.3900 . ?
C155 C156 1.3900 . ?
C157 C158 1.3900 . ?
C157 C162 1.3900 . ?
C158 C159 1.3900 . ?
C159 C160 1.3900 . ?
C160 C161 1.3900 . ?
C161 C162 1.3900 . ?
C163 C164 1.3900 . ?
C163 C168 1.3900 . ?
C164 C165 1.3900 . ?
C165 C166 1.3900 . ?
C166 C167 1.3900 . ?
C167 C168 1.3900 . ?
C169 C170 1.3900 . ?
C169 C174 1.3900 . ?
C170 C171 1.3900 . ?
C171 C172 1.3900 . ?
C172 C173 1.3900 . ?
C173 C174 1.3900 . ?
C175 C176 1.3900 . ?
C175 C180 1.3900 . ?
C176 C177 1.3900 . ?
C177 C178 1.3900 . ?
C178 C179 1.3900 . ?
C179 C180 1.3900 . ?
C181 C182 1.3900 . ?
C181 C186 1.3900 . ?
C182 C183 1.3900 . ?
C183 C184 1.3900 . ?
C184 C185 1.3900 . ?
C185 C186 1.3900 . ?
C187 C188 1.3900 . ?
C187 C192 1.3900 . ?
C188 C189 1.3900 . ?
C189 C190 1.3900 . ?
C190 C191 1.3900 . ?
C191 C192 1.3900 . ?
C193 C194 1.3900 . ?
C193 C198 1.3900 . ?
C194 C195 1.3900 . ?
C195 C196 1.3900 . ?
C196 C197 1.3900 . ?
C197 C198 1.3900 . ?
C199 C200 1.3900 . ?
C199 C204 1.3900 . ?
C200 C201 1.3900 . ?
C201 C202 1.3900 . ?
C202 C203 1.3900 . ?
C203 C204 1.3900 . ?
C205 C206 1.3900 . ?
C205 C210 1.3900 . ?
C206 C207 1.3900 . ?
C207 C208 1.3900 . ?
C208 C209 1.3900 . ?
C209 C210 1.3900 . ?
C211 C212 1.3900 . ?
C211 C216 1.3900 . ?
C212 C213 1.3900 . ?
C213 C214 1.3900 . ?
C214 C215 1.3900 . ?
C215 C216 1.3900 . ?
C217 C218 1.3900 . ?
C217 C222 1.3900 . ?
C217 C223 1.498(10) . ?
C218 C219 1.3900 . ?
C219 C220 1.3900 . ?
C219 C224 1.50(4) . ?
C220 C221 1.3900 . ?
C221 C222 1.3900 . ?
C221 C225 1.50(4) . ?
C226 C227 1.3900 . ?
C226 C231 1.3900 . ?
C226 C232 1.50(3) . ?
C227 C228 1.3900 . ?
C228 C229 1.3900 . ?
C228 C233 1.51(3) . ?
C229 C230 1.3900 . ?
C230 C231 1.3900 . ?
C230 C234 1.51(4) . ?
C235 C236 1.3900 . ?
C235 C240 1.3900 . ?
C235 C241 1.50(4) . ?
C236 C237 1.3900 . ?
C237 C238 1.3900 . ?
C237 C242 1.50(4) . ?
C238 C239 1.3900 . ?
C239 C240 1.3900 . ?
C239 C243 1.50(3) . ?
C244 C245 1.3900 . ?
C244 C249 1.3900 . ?
C244 C250 1.50(4) . ?
C245 C246 1.3900 . ?
C246 C247 1.3900 . ?
C246 C251 1.50(1) . ?
C247 C248 1.3900 . ?
C248 C249 1.3900 . ?
C248 C252 1.50(4) . ?
N1 C253 1.3900 . ?
N1 C257 1.3900 . ?
C253 C254 1.3900 . ?
C254 C255 1.3900 . ?
C255 C256 1.3900 . ?
C256 C257 1.3900 . ?
N2 C258 1.3900 . ?
N2 C262 1.3900 . ?
C258 C259 1.3900 . ?
C259 C260 1.3900 . ?
C260 C261 1.3900 . ?
C261 C262 1.3900 . ?
N3 C263 1.3900 . ?
N3 C267 1.3900 . ?
C263 C264 1.3900 . ?
C264 C265 1.3900 . ?
C265 C266 1.3900 . ?
C266 C267 1.3900 . ?
N4 C268 1.3900 . ?
N4 C272 1.3900 . ?
C268 C269 1.3900 . ?
C269 C270 1.3900 . ?
C270 C271 1.3900 . ?
C271 C272 1.3900 . ?
N5 C273 1.3900 . ?
N5 C277 1.3900 . ?
C273 C274 1.3900 . ?
C274 C275 1.3900 . ?
C275 C276 1.3900 . ?
C276 C277 1.3900 . ?
N6 C278 1.3900 . ?
N6 C282 1.3900 . ?
C278 C279 1.3900 . ?
C279 C280 1.3900 . ?
C280 C281 1.3900 . ?
C281 C282 1.3900 . ?
N7 C283 1.3900 . ?
N7 C287 1.3900 . ?
C283 C284 1.3900 . ?
C284 C285 1.3900 . ?
C285 C286 1.3900 . ?
C286 C287 1.3900 . ?
N8 C288 1.3900 . ?
N8 C292 1.3900 . ?
C288 C289 1.3900 . ?
C289 C290 1.3900 . ?
C290 C291 1.3900 . ?
C291 C292 1.3900 . ?
N9 C293 1.3900 . ?
N9 C297 1.3900 . ?
C293 C294 1.3900 . ?
C294 C295 1.3900 . ?
C295 C296 1.3900 . ?
C296 C297 1.3900 . ?
N10 C298 1.3900 . ?
N10 C302 1.3900 . ?
C298 C299 1.3900 . ?
C299 C300 1.3900 . ?
C300 C301 1.3900 . ?
C301 C302 1.3900 . ?
N11 C303 1.3900 . ?
N11 C307 1.3900 . ?
C303 C304 1.3900 . ?
C304 C305 1.3900 . ?
C305 C306 1.3900 . ?
C306 C307 1.3900 . ?
N12 C308 1.3900 . ?
N12 C312 1.3900 . ?
C308 C309 1.3900 . ?
C309 C310 1.3900 . ?
C310 C311 1.3900 . ?
C311 C312 1.3900 . ?
N1S C11S 1.39(4) . ?
N1S C13S 1.39(4) . ?
N1S C15S 1.39(4) . ?
N1S C17S 1.39(4) . ?
C11S C12S 1.61(9) . ?
C13S C14S 1.54(8) . ?
C15S C16S 1.62(9) . ?
C17S C18S 1.49(9) . ?
C1S Cl1 1.77(3) . ?
C1S Cl2 1.87(3) . ?
C2S Cl3 1.77(3) . ?
C2S Cl4 1.87(3) . ?
C3S Cl5 1.77(3) . ?
C3S Cl6 1.87(7) . ?
C4S Cl7 1.78(10) . ?
C4S Cl8 1.87(3) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C20 Rh1 O3 86.6(10) . . ?
C20 Rh1 P1 99.3(8) . . ?
O3 Rh1 P1 173.5(7) . . ?
C20 Rh1 O1 170.5(9) . . ?
O3 Rh1 O1 84.5(9) . . ?
P1 Rh1 O1 89.4(7) . . ?
C20 Rh1 N1 99.7(10) . . ?
O3 Rh1 N1 84.1(9) . . ?
P1 Rh1 N1 97.5(8) . . ?
O1 Rh1 N1 82.6(9) . . ?
C20 Rh1 Rh2 91.4(7) . . ?
O3 Rh1 Rh2 87.5(6) . . ?
P1 Rh1 Rh2 89.6(3) . . ?
O1 Rh1 Rh2 85.0(6) . . ?
N1 Rh1 Rh2 165.6(6) . . ?
C2 Rh2 O4 170.1(10) . . ?
C2 Rh2 O2 84.3(9) . . ?
O4 Rh2 O2 85.9(9) . . ?
C2 Rh2 P2 97.9(8) . . ?
O4 Rh2 P2 91.8(7) . . ?
O2 Rh2 P2 176.1(7) . . ?
C2 Rh2 N2 97.8(9) . . ?
O4 Rh2 N2 83.0(9) . . ?
O2 Rh2 N2 86.3(8) . . ?
P2 Rh2 N2 96.5(6) . . ?
C2 Rh2 Rh1 93.8(6) . . ?
O4 Rh2 Rh1 84.3(7) . . ?
O2 Rh2 Rh1 87.5(6) . . ?
P2 Rh2 Rh1 89.2(3) . . ?
N2 Rh2 Rh1 166.2(6) . . ?
C56 Rh3 O5 85.4(11) . . ?
C56 Rh3 O7 167.0(12) . . ?
O5 Rh3 O7 82.2(10) . . ?
C56 Rh3 P3 99.6(9) . . ?
O5 Rh3 P3 173.9(8) . . ?
O7 Rh3 P3 92.7(8) . . ?
C56 Rh3 N3 99.2(10) . . ?
O5 Rh3 N3 87.0(11) . . ?
O7 Rh3 N3 83.9(10) . . ?
P3 Rh3 N3 95.8(8) . . ?
C56 Rh3 Rh4 92.7(7) . . ?
O5 Rh3 Rh4 88.2(8) . . ?
O7 Rh3 Rh4 83.2(7) . . ?
P3 Rh3 Rh4 88.0(4) . . ?
N3 Rh3 Rh4 166.7(8) . . ?
C38 Rh4 O6 170.4(10) . . ?
C38 Rh4 P4 96.1(8) . . ?
O6 Rh4 P4 93.5(7) . . ?
C38 Rh4 O8 85.9(10) . . ?
O6 Rh4 O8 84.5(9) . . ?
P4 Rh4 O8 176.6(7) . . ?
C38 Rh4 N4 96.4(10) . . ?
O6 Rh4 N4 82.7(9) . . ?
P4 Rh4 N4 94.4(7) . . ?
O8 Rh4 N4 88.1(9) . . ?
C38 Rh4 Rh3 96.3(8) . . ?
O6 Rh4 Rh3 84.0(7) . . ?
P4 Rh4 Rh3 88.9(3) . . ?
O8 Rh4 Rh3 88.2(7) . . ?
N4 Rh4 Rh3 166.4(7) . . ?
C92 Rh5 O9 168.5(12) . . ?
C92 Rh5 O11 85.9(10) . . ?
O9 Rh5 O11 83.6(11) . . ?
C92 Rh5 P5 98.5(9) . . ?
O9 Rh5 P5 91.6(9) . . ?
O11 Rh5 P5 173.8(8) . . ?
C92 Rh5 N5 99.8(10) . . ?
O9 Rh5 N5 84.3(12) . . ?
O11 Rh5 N5 87.2(9) . . ?
P5 Rh5 N5 96.2(7) . . ?
C92 Rh5 Rh6 94.5(8) . . ?
O9 Rh5 Rh6 80.4(10) . . ?
O11 Rh5 Rh6 87.1(6) . . ?
P5 Rh5 Rh6 88.2(3) . . ?
N5 Rh5 Rh6 164.2(8) . . ?
C74 Rh6 O12 169.0(11) . . ?
C74 Rh6 P6 96.5(9) . . ?
O12 Rh6 P6 93.6(7) . . ?
C74 Rh6 O10 85.2(10) . . ?
O12 Rh6 O10 84.5(9) . . ?
P6 Rh6 O10 174.6(7) . . ?
C74 Rh6 N6 99.5(9) . . ?
O12 Rh6 N6 83.9(8) . . ?
P6 Rh6 N6 95.7(7) . . ?
O10 Rh6 N6 89.0(9) . . ?
C74 Rh6 Rh5 91.8(8) . . ?
O12 Rh6 Rh5 84.1(6) . . ?
P6 Rh6 Rh5 87.6(4) . . ?
O10 Rh6 Rh5 87.2(6) . . ?
N6 Rh6 Rh5 167.8(6) . . ?
C128 Rh7 O15 172.1(11) . . ?
C128 Rh7 O13 87.5(11) . . ?
O15 Rh7 O13 85.2(10) . . ?
C128 Rh7 N7 100.4(9) . . ?
O15 Rh7 N7 82.3(9) . . ?
O13 Rh7 N7 88.1(10) . . ?
C128 Rh7 P7 98.0(8) . . ?
O15 Rh7 P7 89.1(8) . . ?
O13 Rh7 P7 173.3(8) . . ?
N7 Rh7 P7 94.8(7) . . ?
C128 Rh7 Rh8 92.8(7) . . ?
O15 Rh7 Rh8 84.0(7) . . ?
O13 Rh7 Rh8 87.1(7) . . ?
N7 Rh7 Rh8 165.8(7) . . ?
P7 Rh7 Rh8 88.7(3) . . ?
C110 Rh8 O14 170.0(10) . . ?
C110 Rh8 O16 84.3(10) . . ?
O14 Rh8 O16 85.6(9) . . ?
C110 Rh8 P8 98.4(8) . . ?
O14 Rh8 P8 91.6(7) . . ?
O16 Rh8 P8 175.3(6) . . ?
C110 Rh8 N8 98.3(10) . . ?
O14 Rh8 N8 81.6(9) . . ?
O16 Rh8 N8 87.5(9) . . ?
P8 Rh8 N8 95.9(7) . . ?
C110 Rh8 Rh7 95.5(7) . . ?
O14 Rh8 Rh7 83.9(7) . . ?
O16 Rh8 Rh7 88.3(6) . . ?
P8 Rh8 Rh7 87.6(3) . . ?
N8 Rh8 Rh7 165.1(7) . . ?
C164 Rh9 O19 171.7(10) . . ?
C164 Rh9 P9 96.7(9) . . ?
O19 Rh9 P9 91.1(8) . . ?
C164 Rh9 N9 98.5(9) . . ?
O19 Rh9 N9 83.2(9) . . ?
P9 Rh9 N9 97.1(8) . . ?
C164 Rh9 O17 86.5(10) . . ?
O19 Rh9 O17 85.6(9) . . ?
P9 Rh9 O17 174.2(7) . . ?
N9 Rh9 O17 87.2(9) . . ?
C164 Rh9 Rh10 92.2(7) . . ?
O19 Rh9 Rh10 85.3(6) . . ?
P9 Rh9 Rh10 87.5(4) . . ?
N9 Rh9 Rh10 167.8(7) . . ?
O17 Rh9 Rh10 87.6(6) . . ?
C146 Rh10 O18 167.6(12) . . ?
C146 Rh10 O20 85.5(11) . . ?
O18 Rh10 O20 83.0(10) . . ?
C146 Rh10 P10 99.3(9) . . ?
O18 Rh10 P10 92.1(9) . . ?
O20 Rh10 P10 175.0(8) . . ?
C146 Rh10 N10 97.7(10) . . ?
O18 Rh10 N10 86.3(10) . . ?
O20 Rh10 N10 86.4(8) . . ?
P10 Rh10 N10 94.2(7) . . ?
C146 Rh10 Rh9 93.9(8) . . ?
O18 Rh10 Rh9 81.1(7) . . ?
O20 Rh10 Rh9 88.4(6) . . ?
P10 Rh10 Rh9 90.0(3) . . ?
N10 Rh10 Rh9 166.9(7) . . ?
C200 Rh11 O21 171.4(10) . . ?
C200 Rh11 O23 84.4(10) . . ?
O21 Rh11 O23 87.0(8) . . ?
C200 Rh11 P11 98.7(8) . . ?
O21 Rh11 P11 89.7(7) . . ?
O23 Rh11 P11 171.7(9) . . ?
C200 Rh11 N11 99.8(11) . . ?
O21 Rh11 N11 80.7(9) . . ?
O23 Rh11 N11 93.2(10) . . ?
P11 Rh11 N11 93.8(8) . . ?
C200 Rh11 Rh12 94.3(8) . . ?
O21 Rh11 Rh12 84.6(6) . . ?
O23 Rh11 Rh12 83.4(8) . . ?
P11 Rh11 Rh12 88.7(4) . . ?
N11 Rh11 Rh12 165.1(7) . . ?
C182 Rh12 O22 86.5(10) . . ?
C182 Rh12 O24 173.2(10) . . ?
O22 Rh12 O24 86.8(9) . . ?
C182 Rh12 P12 96.1(8) . . ?
O22 Rh12 P12 172.3(9) . . ?
O24 Rh12 P12 90.7(7) . . ?
C182 Rh12 N12 98.1(12) . . ?
O22 Rh12 N12 91.5(10) . . ?
O24 Rh12 N12 80.5(11) . . ?
P12 Rh12 N12 95.2(8) . . ?
C182 Rh12 Rh11 94.4(9) . . ?
O22 Rh12 Rh11 83.9(7) . . ?
O24 Rh12 Rh11 86.4(7) . . ?
P12 Rh12 Rh11 88.7(4) . . ?
N12 Rh12 Rh11 166.3(8) . . ?
C7 P1 C13 99.4(13) . . ?
C7 P1 C1 102.9(13) . . ?
C13 P1 C1 105.1(13) . . ?
C7 P1 Rh1 116.8(10) . . ?
C13 P1 Rh1 121.1(11) . . ?
C1 P1 Rh1 109.5(9) . . ?
C19 P2 C31 102.9(13) . . ?
C19 P2 C25 101.6(13) . . ?
C31 P2 C25 98.0(13) . . ?
C19 P2 Rh2 110.7(9) . . ?
C31 P2 Rh2 126.2(11) . . ?
C25 P2 Rh2 114.2(8) . . ?
C43 P3 C37 107.4(14) . . ?
C43 P3 C49 98.2(15) . . ?
C37 P3 C49 108.7(14) . . ?
C43 P3 Rh3 122.6(11) . . ?
C37 P3 Rh3 108.1(12) . . ?
C49 P3 Rh3 111.1(11) . . ?
C55 P4 C61 100.0(13) . . ?
C55 P4 C67 109.9(15) . . ?
C61 P4 C67 100.6(15) . . ?
C55 P4 Rh4 107.4(10) . . ?
C61 P4 Rh4 115.5(11) . . ?
C67 P4 Rh4 121.4(10) . . ?
C73 P5 C79 98.5(13) . . ?
C73 P5 C85 111.9(14) . . ?
C79 P5 C85 96.6(13) . . ?
C73 P5 Rh5 110.7(10) . . ?
C79 P5 Rh5 113.1(10) . . ?
C85 P5 Rh5 122.6(10) . . ?
C97 P6 C103 99.0(17) . . ?
C97 P6 C91 104.5(18) . . ?
C103 P6 C91 99.0(15) . . ?
C97 P6 Rh6 127.6(15) . . ?
C103 P6 Rh6 113.0(13) . . ?
C91 P6 Rh6 109.8(11) . . ?
C109 P7 C121 107.2(13) . . ?
C109 P7 C115 106.6(12) . . ?
C121 P7 C115 102.3(13) . . ?
C109 P7 Rh7 107.7(11) . . ?
C121 P7 Rh7 111.1(9) . . ?
C115 P7 Rh7 121.2(9) . . ?
C127 P8 C139 104.4(12) . . ?
C127 P8 C133 103.6(12) . . ?
C139 P8 C133 99.2(12) . . ?
C127 P8 Rh8 111.8(9) . . ?
C139 P8 Rh8 113.3(10) . . ?
C133 P8 Rh8 122.5(9) . . ?
C145 P9 C151 108.1(17) . . ?
C145 P9 C157 104.8(16) . . ?
C151 P9 C157 97.2(15) . . ?
C145 P9 Rh9 109.3(12) . . ?
C151 P9 Rh9 123.0(13) . . ?
C157 P9 Rh9 112.5(14) . . ?
C163 P10 C169 103.9(13) . . ?
C163 P10 C175 109.5(14) . . ?
C169 P10 C175 98.0(14) . . ?
C163 P10 Rh10 107.3(10) . . ?
C169 P10 Rh10 114.0(11) . . ?
C175 P10 Rh10 122.4(12) . . ?
C193 P11 C181 104.5(17) . . ?
C193 P11 C187 98.6(19) . . ?
C181 P11 C187 101.8(18) . . ?
C193 P11 Rh11 123.4(14) . . ?
C181 P11 Rh11 110.6(12) . . ?
C187 P11 Rh11 115.3(14) . . ?
C205 P12 C211 103.5(19) . . ?
C205 P12 C199 108.0(19) . . ?
C211 P12 C199 102.3(16) . . ?
C205 P12 Rh12 123.6(15) . . ?
C211 P12 Rh12 110.8(13) . . ?
C199 P12 Rh12 106.7(11) . . ?
C234 O1 Rh1 120.9(19) . . ?
C234 O2 Rh2 114.2(14) . . ?
C242 O3 Rh1 116.3(17) . . ?
C242 O4 Rh2 120.1(19) . . ?
C252 O5 Rh3 117.3(17) . . ?
C252 O6 Rh4 126(2) . . ?
C243 O7 Rh3 133(2) . . ?
C243 O8 Rh4 111.4(15) . . ?
C250 O9 Rh5 127(2) . . ?
C250 O10 Rh6 119(2) . . ?
C233 O11 Rh5 120.0(17) . . ?
C233 O12 Rh6 118.3(15) . . ?
C225 O13 Rh7 117.8(17) . . ?
C225 O14 Rh8 124(2) . . ?
C232 O15 Rh7 126(2) . . ?
C232 O16 Rh8 114.8(16) . . ?
C224 O17 Rh9 117(2) . . ?
C224 O18 Rh10 126.1(19) . . ?
C241 O19 Rh9 119.9(15) . . ?
C241 O20 Rh10 117.3(17) . . ?
C223 O21 Rh11 119.5(15) . . ?
C223 O22 Rh12 127(2) . . ?
C251 O23 Rh11 124(2) . . ?
C251 O24 Rh12 116.9(19) . . ?
C2 C1 C6 120.0 . . ?
C2 C1 P1 117.5(14) . . ?
C6 C1 P1 121.4(14) . . ?
C1 C2 C3 120.0 . . ?
C1 C2 Rh2 121.5(12) . . ?
C3 C2 Rh2 116.3(12) . . ?
C4 C3 C2 120.0 . . ?
C3 C4 C5 120.0 . . ?
C6 C5 C4 120.0 . . ?
C5 C6 C1 120.0 . . ?
C8 C7 C12 120.0 . . ?
C8 C7 P1 123.4(13) . . ?
C12 C7 P1 116.5(13) . . ?
C7 C8 C9 120.0 . . ?
C10 C9 C8 120.0 . . ?
C9 C10 C11 120.0 . . ?
C12 C11 C10 120.0 . . ?
C11 C12 C7 120.0 . . ?
C14 C13 C18 120.0 . . ?
C14 C13 P1 119.5(17) . . ?
C18 C13 P1 119.8(17) . . ?
C13 C14 C15 120.0 . . ?
C16 C15 C14 120.0 . . ?
C17 C16 C15 120.0 . . ?
C16 C17 C18 120.0 . . ?
C17 C18 C13 120.0 . . ?
C20 C19 C24 120.0 . . ?
C20 C19 P2 114.3(15) . . ?
C24 C19 P2 124.5(15) . . ?
C21 C20 C19 120.0 . . ?
C21 C20 Rh1 113.3(13) . . ?
C19 C20 Rh1 125.4(13) . . ?
C20 C21 C22 120.0 . . ?
C21 C22 C23 120.0 . . ?
C24 C23 C22 120.0 . . ?
C23 C24 C19 120.0 . . ?
C26 C25 C30 120.0 . . ?
C26 C25 P2 123.3(13) . . ?
C30 C25 P2 116.7(13) . . ?
C27 C26 C25 120.0 . . ?
C26 C27 C28 120.0 . . ?
C27 C28 C29 120.0 . . ?
C30 C29 C28 120.0 . . ?
C29 C30 C25 120.0 . . ?
C32 C31 C36 120.0 . . ?
C32 C31 P2 117.6(16) . . ?
C36 C31 P2 121.8(17) . . ?
C31 C32 C33 120.0 . . ?
C34 C33 C32 120.0 . . ?
C35 C34 C33 120.0 . . ?
C34 C35 C36 120.0 . . ?
C35 C36 C31 120.0 . . ?
C38 C37 C42 120.0 . . ?
C38 C37 P3 122.9(17) . . ?
C42 C37 P3 116.8(17) . . ?
C39 C38 C37 120.0 . . ?
C39 C38 Rh4 120.4(15) . . ?
C37 C38 Rh4 119.0(15) . . ?
C38 C39 C40 120.0 . . ?
C41 C40 C39 120.0 . . ?
C42 C41 C40 120.0 . . ?
C41 C42 C37 120.0 . . ?
C44 C43 C48 120.0 . . ?
C44 C43 P3 118.0(16) . . ?
C48 C43 P3 122.0(16) . . ?
C43 C44 C45 120.0 . . ?
C46 C45 C44 120.0 . . ?
C47 C46 C45 120.0 . . ?
C48 C47 C46 120.0 . . ?
C47 C48 C43 120.0 . . ?
C50 C49 C54 120.0 . . ?
C50 C49 P3 116.8(16) . . ?
C54 C49 P3 122.8(17) . . ?
C49 C50 C51 120.0 . . ?
C52 C51 C50 120.0 . . ?
C51 C52 C53 120.0 . . ?
C54 C53 C52 120.0 . . ?
C53 C54 C49 120.0 . . ?
C56 C55 C60 120.0 . . ?
C56 C55 P4 119.3(14) . . ?
C60 C55 P4 120.6(14) . . ?
C55 C56 C57 120.0 . . ?
C55 C56 Rh3 120.9(13) . . ?
C57 C56 Rh3 118.7(12) . . ?
C58 C57 C56 120.0 . . ?
C57 C58 C59 120.0 . . ?
C58 C59 C60 120.0 . . ?
C59 C60 C55 120.0 . . ?
C62 C61 C66 120.0 . . ?
C62 C61 P4 123.1(18) . . ?
C66 C61 P4 116.9(18) . . ?
C63 C62 C61 120.0 . . ?
C62 C63 C64 120.0 . . ?
C63 C64 C65 120.0 . . ?
C66 C65 C64 120.0 . . ?
C65 C66 C61 120.0 . . ?
C68 C67 C72 120.0 . . ?
C68 C67 P4 121.8(16) . . ?
C72 C67 P4 117.2(16) . . ?
C67 C68 C69 120.0 . . ?
C70 C69 C68 120.0 . . ?
C71 C70 C69 120.0 . . ?
C70 C71 C72 120.0 . . ?
C71 C72 C67 120.0 . . ?
C74 C73 C78 120.0 . . ?
C74 C73 P5 114.2(15) . . ?
C78 C73 P5 125.5(15) . . ?
C73 C74 C75 120.0 . . ?
C73 C74 Rh6 125.3(14) . . ?
C75 C74 Rh6 114.6(14) . . ?
C76 C75 C74 120.0 . . ?
C75 C76 C77 120.0 . . ?
C78 C77 C76 120.0 . . ?
C77 C78 C73 120.0 . . ?
C80 C79 C84 120.0 . . ?
C80 C79 P5 120.9(15) . . ?
C84 C79 P5 119.1(15) . . ?
C79 C80 C81 120.0 . . ?
C80 C81 C82 120.0 . . ?
C81 C82 C83 120.0 . . ?
C84 C83 C82 120.0 . . ?
C83 C84 C79 120.0 . . ?
C86 C85 C90 120.0 . . ?
C86 C85 P5 120.8(17) . . ?
C90 C85 P5 118.6(17) . . ?
C85 C86 C87 120.0 . . ?
C88 C87 C86 120.0 . . ?
C87 C88 C89 120.0 . . ?
C90 C89 C88 120.0 . . ?
C89 C90 C85 120.0 . . ?
C92 C91 C96 120.0 . . ?
C92 C91 P6 113.9(16) . . ?
C96 C91 P6 126.0(16) . . ?
C91 C92 C93 120.0 . . ?
C91 C92 Rh5 122.4(15) . . ?
C93 C92 Rh5 115.9(15) . . ?
C94 C93 C92 120.0 . . ?
C95 C94 C93 120.0 . . ?
C94 C95 C96 120.0 . . ?
C95 C96 C91 120.0 . . ?
C98 C97 C102 120.0 . . ?
C98 C97 P6 118(3) . . ?
C102 C97 P6 122(3) . . ?
C97 C98 C99 120.0 . . ?
C100 C99 C98 120.0 . . ?
C99 C100 C101 120.0 . . ?
C102 C101 C100 120.0 . . ?
C101 C102 C97 120.0 . . ?
C104 C103 C108 120.0 . . ?
C104 C103 P6 117.9(18) . . ?
C108 C103 P6 121.9(18) . . ?
C105 C104 C103 120.0 . . ?
C104 C105 C106 120.0 . . ?
C105 C106 C107 120.0 . . ?
C108 C107 C106 120.0 . . ?
C107 C108 C103 120.0 . . ?
C110 C109 C114 120.0 . . ?
C110 C109 P7 121.6(16) . . ?
C114 C109 P7 118.1(16) . . ?
C109 C110 C111 120.0 . . ?
C109 C110 Rh8 120.2(14) . . ?
C111 C110 Rh8 119.4(14) . . ?
C112 C111 C110 120.0 . . ?
C113 C112 C111 120.0 . . ?
C112 C113 C114 120.0 . . ?
C113 C114 C109 120.0 . . ?
C116 C115 C120 120.0 . . ?
C116 C115 P7 120.4(14) . . ?
C120 C115 P7 118.7(14) . . ?
C117 C116 C115 120.0 . . ?
C116 C117 C118 120.0 . . ?
C119 C118 C117 120.0 . . ?
C118 C119 C120 120.0 . . ?
C119 C120 C115 120.0 . . ?
C122 C121 C126 120.0 . . ?
C122 C121 P7 121.2(16) . . ?
C126 C121 P7 118.6(16) . . ?
C121 C122 C123 120.0 . . ?
C124 C123 C122 120.0 . . ?
C123 C124 C125 120.0 . . ?
C126 C125 C124 120.0 . . ?
C125 C126 C121 120.0 . . ?
C128 C127 C132 120.0 . . ?
C128 C127 P8 116.4(13) . . ?
C132 C127 P8 123.3(13) . . ?
C127 C128 C129 120.0 . . ?
C127 C128 Rh7 123.6(12) . . ?
C129 C128 Rh7 115.6(12) . . ?
C130 C129 C128 120.0 . . ?
C131 C130 C129 120.0 . . ?
C130 C131 C132 120.0 . . ?
C131 C132 C127 120.0 . . ?
C134 C133 C138 120.0 . . ?
C134 C133 P8 120.8(13) . . ?
C138 C133 P8 118.5(14) . . ?
C133 C134 C135 120.0 . . ?
C136 C135 C134 120.0 . . ?
C135 C136 C137 120.0 . . ?
C138 C137 C136 120.0 . . ?
C137 C138 C133 120.0 . . ?
C140 C139 C144 120.0 . . ?
C140 C139 P8 116.6(15) . . ?
C144 C139 P8 123.4(15) . . ?
C139 C140 C141 120.0 . . ?
C142 C141 C140 120.0 . . ?
C143 C142 C141 120.0 . . ?
C144 C143 C142 120.0 . . ?
C143 C144 C139 120.0 . . ?
C146 C145 C150 120.0 . . ?
C146 C145 P9 115.7(17) . . ?
C150 C145 P9 124.3(17) . . ?
C147 C146 C145 120.0 . . ?
C147 C146 Rh10 117.9(15) . . ?
C145 C146 Rh10 121.2(15) . . ?
C148 C147 C146 120.0 . . ?
C147 C148 C149 120.0 . . ?
C150 C149 C148 120.0 . . ?
C149 C150 C145 120.0 . . ?
C152 C151 C156 120.0 . . ?
C152 C151 P9 117(2) . . ?
C156 C151 P9 121(2) . . ?
C151 C152 C153 120.0 . . ?
C152 C153 C154 120.0 . . ?
C155 C154 C153 120.0 . . ?
C154 C155 C156 120.0 . . ?
C155 C156 C151 120.0 . . ?
C158 C157 C162 120.0 . . ?
C158 C157 P9 116.6(18) . . ?
C162 C157 P9 123.4(18) . . ?
C159 C158 C157 120.0 . . ?
C158 C159 C160 120.0 . . ?
C161 C160 C159 120.0 . . ?
C160 C161 C162 120.0 . . ?
C161 C162 C157 120.0 . . ?
C164 C163 C168 120.0 . . ?
C164 C163 P10 119.4(14) . . ?
C168 C163 P10 120.5(14) . . ?
C163 C164 C165 120.0 . . ?
C163 C164 Rh9 122.5(13) . . ?
C165 C164 Rh9 117.4(13) . . ?
C164 C165 C166 120.0 . . ?
C167 C166 C165 120.0 . . ?
C168 C167 C166 120.0 . . ?
C167 C168 C163 120.0 . . ?
C170 C169 C174 120.0 . . ?
C170 C169 P10 116.2(17) . . ?
C174 C169 P10 123.8(17) . . ?
C169 C170 C171 120.0 . . ?
C172 C171 C170 120.0 . . ?
C171 C172 C173 120.0 . . ?
C174 C173 C172 120.0 . . ?
C173 C174 C169 120.0 . . ?
C176 C175 C180 120.0 . . ?
C176 C175 P10 118(2) . . ?
C180 C175 P10 120.7(19) . . ?
C177 C176 C175 120.0 . . ?
C176 C177 C178 120.0 . . ?
C177 C178 C179 120.0 . . ?
C180 C179 C178 120.0 . . ?
C179 C180 C175 120.0 . . ?
C182 C181 C186 120.0 . . ?
C182 C181 P11 117.0(19) . . ?
C186 C181 P11 122.9(19) . . ?
C183 C182 C181 120.0 . . ?
C183 C182 Rh12 117.6(17) . . ?
C181 C182 Rh12 121.7(17) . . ?
C182 C183 C184 120.0 . . ?
C185 C184 C183 120.0 . . ?
C184 C185 C186 120.0 . . ?
C185 C186 C181 120.0 . . ?
C188 C187 C192 120.0 . . ?
C188 C187 P11 116(2) . . ?
C192 C187 P11 124(2) . . ?
C187 C188 C189 120.0 . . ?
C190 C189 C188 120.0 . . ?
C189 C190 C191 120.0 . . ?
C192 C191 C190 120.0 . . ?
C191 C192 C187 120.0 . . ?
C194 C193 C198 120.0 . . ?
C194 C193 P11 121(2) . . ?
C198 C193 P11 118(2) . . ?
C195 C194 C193 120.0 . . ?
C194 C195 C196 120.0 . . ?
C197 C196 C195 120.0 . . ?
C196 C197 C198 120.0 . . ?
C197 C198 C193 120.0 . . ?
C200 C199 C204 120.0 . . ?
C200 C199 P12 118.4(17) . . ?
C204 C199 P12 121.6(17) . . ?
C199 C200 C201 120.0 . . ?
C199 C200 Rh11 121.5(15) . . ?
C201 C200 Rh11 117.7(15) . . ?
C200 C201 C202 120.0 . . ?
C203 C202 C201 120.0 . . ?
C202 C203 C204 120.0 . . ?
C203 C204 C199 120.0 . . ?
C206 C205 C210 120.0 . . ?
C206 C205 P12 117(3) . . ?
C210 C205 P12 121(3) . . ?
C205 C206 C207 120.0 . . ?
C208 C207 C206 120.0 . . ?
C209 C208 C207 120.0 . . ?
C208 C209 C210 120.0 . . ?
C209 C210 C205 120.0 . . ?
C212 C211 C216 120.0 . . ?
C212 C211 P12 121(2) . . ?
C216 C211 P12 119(2) . . ?
C211 C212 C213 120.0 . . ?
C214 C213 C212 120.0 . . ?
C215 C214 C213 120.0 . . ?
C214 C215 C216 120.0 . . ?
C215 C216 C211 120.0 . . ?
C218 C217 C222 120.0 . . ?
C218 C217 C223 117(2) . . ?
C222 C217 C223 122(2) . . ?
C219 C218 C217 120.0 . . ?
C218 C219 C220 120.0 . . ?
C218 C219 C224 122.7(19) . . ?
C220 C219 C224 117.3(19) . . ?
C221 C220 C219 120.0 . . ?
C220 C221 C222 120.0 . . ?
C220 C221 C225 115.7(19) . . ?
C222 C221 C225 123.7(19) . . ?
C221 C222 C217 120.0 . . ?
O22 C223 O21 119.9(19) . . ?
O22 C223 C217 129(3) . . ?
O21 C223 C217 111(3) . . ?
O17 C224 O18 123(2) . . ?
O17 C224 C219 124(3) . . ?
O18 C224 C219 113(3) . . ?
O14 C225 O13 122(2) . . ?
O14 C225 C221 120(3) . . ?
O13 C225 C221 118(3) . . ?
C227 C226 C231 120.0 . . ?
C227 C226 C232 116.6(18) . . ?
C231 C226 C232 123.2(18) . . ?
C226 C227 C228 120.0 . . ?
C227 C228 C229 120.0 . . ?
C227 C228 C233 116.5(17) . . ?
C229 C228 C233 123.2(18) . . ?
C230 C229 C228 120.0 . . ?
C229 C230 C231 120.0 . . ?
C229 C230 C234 124.6(18) . . ?
C231 C230 C234 115.4(18) . . ?
C230 C231 C226 120.0 . . ?
O15 C232 O16 121.9(19) . . ?
O15 C232 C226 124(3) . . ?
O16 C232 C226 114(2) . . ?
O11 C233 O12 124.9(18) . . ?
O11 C233 C228 124(3) . . ?
O12 C233 C228 111(2) . . ?
O1 C234 O2 128(2) . . ?
O1 C234 C230 119(3) . . ?
O2 C234 C230 112(2) . . ?
C236 C235 C240 120.0 . . ?
C236 C235 C241 122.6(19) . . ?
C240 C235 C241 117.3(19) . . ?
C237 C236 C235 120.0 . . ?
C236 C237 C238 120.0 . . ?
C236 C237 C242 121(2) . . ?
C238 C237 C242 118(2) . . ?
C237 C238 C239 120.0 . . ?
C238 C239 C240 120.0 . . ?
C238 C239 C243 126(2) . . ?
C240 C239 C243 114(2) . . ?
C239 C240 C235 120.0 . . ?
O20 C241 O19 123.0(19) . . ?
O20 C241 C235 123(3) . . ?
O19 C241 C235 114(2) . . ?
O3 C242 O4 126(2) . . ?
O3 C242 C237 119(3) . . ?
O4 C242 C237 115(3) . . ?
O7 C243 O8 120(2) . . ?
O7 C243 C239 128(3) . . ?
O8 C243 C239 109(3) . . ?
C245 C244 C249 120.0 . . ?
C245 C244 C250 120(2) . . ?
C249 C244 C250 120(2) . . ?
C246 C245 C244 120.0 . . ?
C245 C246 C247 120.0 . . ?
C245 C246 C251 121(2) . . ?
C247 C246 C251 118(2) . . ?
C246 C247 C248 120.0 . . ?
C249 C248 C247 120.0 . . ?
C249 C248 C252 113(2) . . ?
C247 C248 C252 126(2) . . ?
C248 C249 C244 120.0 . . ?
O10 C250 O9 122(2) . . ?
O10 C250 C244 122(3) . . ?
O9 C250 C244 116(3) . . ?
O23 C251 O24 123(2) . . ?
O23 C251 C246 122(3) . . ?
O24 C251 C246 114(3) . . ?
O6 C252 O5 120(2) . . ?
O6 C252 C248 124(3) . . ?
O5 C252 C248 116(3) . . ?
C253 N1 C257 120.0 . . ?
C253 N1 Rh1 120.5(14) . . ?
C257 N1 Rh1 114.3(13) . . ?
N1 C253 C254 120.0 . . ?
C253 C254 C255 120.0 . . ?
C256 C255 C254 120.0 . . ?
C255 C256 C257 120.0 . . ?
C256 C257 N1 120.0 . . ?
C258 N2 C262 120.0 . . ?
C258 N2 Rh2 115.1(12) . . ?
C262 N2 Rh2 122.2(11) . . ?
C259 C258 N2 120.0 . . ?
C258 C259 C260 120.0 . . ?
C261 C260 C259 120.0 . . ?
C260 C261 C262 120.0 . . ?
C261 C262 N2 120.0 . . ?
C263 N3 C267 120.0 . . ?
C263 N3 Rh3 113.0(17) . . ?
C267 N3 Rh3 123.0(17) . . ?
C264 C263 N3 120.0 . . ?
C265 C264 C263 120.0 . . ?
C264 C265 C266 120.0 . . ?
C267 C266 C265 120.0 . . ?
C266 C267 N3 120.0 . . ?
C268 N4 C272 120.0 . . ?
C268 N4 Rh4 123.8(14) . . ?
C272 N4 Rh4 111.6(14) . . ?
N4 C268 C269 120.0 . . ?
C270 C269 C268 120.0 . . ?
C271 C270 C269 120.0 . . ?
C270 C271 C272 120.0 . . ?
C271 C272 N4 120.0 . . ?
C273 N5 C277 120.0 . . ?
C273 N5 Rh5 115.5(15) . . ?
C277 N5 Rh5 120.7(15) . . ?
N5 C273 C274 120.0 . . ?
C273 C274 C275 120.0 . . ?
C274 C275 C276 120.0 . . ?
C275 C276 C277 120.0 . . ?
C276 C277 N5 120.0 . . ?
C278 N6 C282 120.0 . . ?
C278 N6 Rh6 125.9(13) . . ?
C282 N6 Rh6 111.1(12) . . ?
C279 C278 N6 120.0 . . ?
C278 C279 C280 120.0 . . ?
C279 C280 C281 120.0 . . ?
C280 C281 C282 120.0 . . ?
C281 C282 N6 120.0 . . ?
C283 N7 C287 120.0 . . ?
C283 N7 Rh7 112.5(13) . . ?
C287 N7 Rh7 124.5(14) . . ?
N7 C283 C284 120.0 . . ?
C285 C284 C283 120.0 . . ?
C284 C285 C286 120.0 . . ?
C287 C286 C285 120.0 . . ?
C286 C287 N7 120.0 . . ?
C288 N8 C292 120.0 . . ?
C288 N8 Rh8 121.8(14) . . ?
C292 N8 Rh8 113.4(14) . . ?
N8 C288 C289 120.0 . . ?
C290 C289 C288 120.0 . . ?
C289 C290 C291 120.0 . . ?
C292 C291 C290 120.0 . . ?
C291 C292 N8 120.0 . . ?
C293 N9 C297 120.0 . . ?
C293 N9 Rh9 114.1(13) . . ?
C297 N9 Rh9 123.5(14) . . ?
C294 C293 N9 120.0 . . ?
C293 C294 C295 120.0 . . ?
C294 C295 C296 120.0 . . ?
C297 C296 C295 120.0 . . ?
C296 C297 N9 120.0 . . ?
C298 N10 C302 120.0 . . ?
C298 N10 Rh10 113.1(13) . . ?
C302 N10 Rh10 122.9(13) . . ?
N10 C298 C299 120.0 . . ?
C298 C299 C300 120.0 . . ?
C301 C300 C299 120.0 . . ?
C300 C301 C302 120.0 . . ?
C301 C302 N10 120.0 . . ?
C303 N11 C307 120.0 . . ?
C303 N11 Rh11 112.9(16) . . ?
C307 N11 Rh11 125.5(16) . . ?
N11 C303 C304 120.0 . . ?
C303 C304 C305 120.0 . . ?
C306 C305 C304 120.0 . . ?
C307 C306 C305 120.0 . . ?
C306 C307 N11 120.0 . . ?
C308 N12 C312 120.0 . . ?
C308 N12 Rh12 111.2(19) . . ?
C312 N12 Rh12 124.7(18) . . ?
C309 C308 N12 120.0 . . ?
C310 C309 C308 120.0 . . ?
C309 C310 C311 120.0 . . ?
C312 C311 C310 120.0 . . ?
C311 C312 N12 120.0 . . ?
C11S N1S C13S 110(5) . . ?
C11S N1S C15S 110(4) . . ?
C13S N1S C15S 109(4) . . ?
C11S N1S C17S 109(4) . . ?
C13S N1S C17S 110(5) . . ?
C15S N1S C17S 110(4) . . ?
N1S C11S C12S 121(5) . . ?
N1S C13S C14S 122(5) . . ?
N1S C15S C16S 121(6) . . ?
N1S C17S C18S 130(6) . . ?
Cl1 C1S Cl2 99.5(15) . . ?
Cl3 C2S Cl4 99.4(15) . . ?
Cl5 C3S Cl6 99.4(15) . . ?
Cl7 C4S Cl8 99(4) . . ?

_diffrn_measured_fraction_theta_max 0.980
_diffrn_reflns_theta_full        20.24
_diffrn_measured_fraction_theta_full 0.980
_refine_diff_density_max         4.519
_refine_diff_density_min         -3.849
_refine_diff_density_rms         0.298