# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_codppe3
_database_code_depnum_ccdc_archive 'CCDC 1437134'
_audit_update_record             
;
2015-11-16 deposited with the CCDC.
2016-02-19 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        
'Cobaltbis(diphenylphosphino)ethane)chloride C60 fullerene '
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'Co(dppe)2Cl C60'
_chemical_formula_sum            'C112 H48 Cl Co P4'
_chemical_formula_weight         1611.76

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'
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'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

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

_cell_length_a                   22.1120(6)
_cell_length_b                   19.1090(6)
_cell_length_c                   17.0090(4)
_cell_angle_alpha                90
_cell_angle_beta                 107.480(2)
_cell_angle_gamma                90
_cell_volume                     6855.1(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    20800
_cell_measurement_theta_min      3
_cell_measurement_theta_max      29

_exptl_crystal_description       plate
_exptl_crystal_colour            black
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.562
_exptl_crystal_F_000             3296
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.100
_exptl_absorpt_coefficient_mu    0.446
_shelx_estimated_absorpt_T_min   0.916
_shelx_estimated_absorpt_T_max   0.957
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  IPDS(Stoe)
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            36820
_diffrn_reflns_av_unetI/netI     0.0689
_diffrn_reflns_av_R_equivalents  0.0840
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         2.474
_diffrn_reflns_theta_max         29.196
_diffrn_reflns_theta_full        25.000
_diffrn_measured_fraction_theta_max 0.969
_diffrn_measured_fraction_theta_full 0.982
_diffrn_reflns_Laue_measured_fraction_max 0.969
_diffrn_reflns_Laue_measured_fraction_full 0.982
_diffrn_reflns_point_group_measured_fraction_max 0.969
_diffrn_reflns_point_group_measured_fraction_full 0.982
_reflns_number_total             9002
_reflns_number_gt                6591
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       X-Area
_computing_cell_refinement       X-Area
_computing_data_reduction        X-Area
_computing_structure_solution    SHELXS
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          
'C60 molecules is disordered between two positions related by a two-fold axis'
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0850P)²+23.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         9002
_refine_ls_number_parameters     630
_refine_ls_number_restraints     180
_refine_ls_R_factor_all          0.1019
_refine_ls_R_factor_gt           0.0735
_refine_ls_wR_factor_ref         0.1851
_refine_ls_wR_factor_gt          0.1733
_refine_ls_goodness_of_fit_ref   1.083
_refine_ls_restrained_S_all      1.096
_refine_ls_shift/su_max          0.024
_refine_ls_shift/su_mean         0.002

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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Co1 Co 0.5000 0.59765(3) 0.2500 0.01193(14) Uani 1 2 d S T P . .
P1 P 0.42146(4) 0.59505(4) 0.13160(5) 0.01299(17) Uani 1 1 d . . . . .
P2 P 0.56326(4) 0.61176(4) 0.16800(5) 0.01348(17) Uani 1 1 d . . . . .
Cl1 Cl 0.5000 0.47381(8) 0.2500 0.0458(4) Uani 1 2 d S T P . .
C61 C 0.35250(15) 0.53822(16) 0.1138(2) 0.0150(6) Uani 1 1 d . . . . .
C62 C 0.35949(17) 0.46598(17) 0.1054(2) 0.0209(7) Uani 1 1 d . . . . .
H62 H 0.3998 0.4472 0.1079 0.025 Uiso 1 1 calc R U . . .
C63 C 0.30771(18) 0.42159(18) 0.0935(2) 0.0258(8) Uani 1 1 d . . . . .
H63 H 0.3126 0.3727 0.0870 0.031 Uiso 1 1 calc R U . . .
C64 C 0.24880(18) 0.44844(19) 0.0910(2) 0.0257(8) Uani 1 1 d . . . . .
H64 H 0.2137 0.4179 0.0838 0.031 Uiso 1 1 calc R U . . .
C65 C 0.24129(17) 0.5200(2) 0.0989(2) 0.0236(7) Uani 1 1 d . . . . .
H65 H 0.2009 0.5384 0.0966 0.028 Uiso 1 1 calc R U . . .
C66 C 0.29281(16) 0.56471(18) 0.1103(2) 0.0191(6) Uani 1 1 d . . . . .
H66 H 0.2874 0.6136 0.1158 0.023 Uiso 1 1 calc R U . . .
C67 C 0.38937(15) 0.68067(15) 0.0941(2) 0.0148(6) Uani 1 1 d . . . . .
C68 C 0.34447(16) 0.68940(17) 0.0172(2) 0.0197(6) Uani 1 1 d . . . . .
H68 H 0.3286 0.6497 -0.0162 0.024 Uiso 1 1 calc R U . . .
C69 C 0.32273(18) 0.75600(19) -0.0110(2) 0.0245(7) Uani 1 1 d . . . . .
H69 H 0.2922 0.7617 -0.0635 0.029 Uiso 1 1 calc R U . . .
C70 C 0.34604(19) 0.81407(18) 0.0382(3) 0.0260(8) Uani 1 1 d . . . . .
H70 H 0.3309 0.8595 0.0195 0.031 Uiso 1 1 calc R U . . .
C71 C 0.39084(19) 0.80608(17) 0.1137(2) 0.0254(8) Uani 1 1 d . . . . .
H71 H 0.4069 0.8460 0.1466 0.031 Uiso 1 1 calc R U . . .
C72 C 0.41272(16) 0.73961(16) 0.1420(2) 0.0181(6) Uani 1 1 d . . . . .
H72 H 0.4437 0.7344 0.1943 0.022 Uiso 1 1 calc R U . . .
C73 C 0.45634(16) 0.56773(17) 0.0505(2) 0.0177(6) Uani 1 1 d . . . . .
H73A H 0.4702 0.5183 0.0583 0.021 Uiso 1 1 calc R U . . .
H73B H 0.4250 0.5728 -0.0048 0.021 Uiso 1 1 calc R U . . .
C74 C 0.51287(15) 0.61576(17) 0.0590(2) 0.0171(6) Uani 1 1 d . . . . .
H74A H 0.4983 0.6643 0.0442 0.021 Uiso 1 1 calc R U . . .
H74B H 0.5372 0.6002 0.0220 0.021 Uiso 1 1 calc R U . . .
C75 C 0.60851(15) 0.69342(16) 0.1818(2) 0.0155(6) Uani 1 1 d . . . . .
C76 C 0.57704(16) 0.75609(17) 0.1534(2) 0.0186(6) Uani 1 1 d . . . . .
H76 H 0.5331 0.7555 0.1238 0.022 Uiso 1 1 calc R U . . .
C77 C 0.60955(19) 0.81916(17) 0.1681(2) 0.0233(7) Uani 1 1 d . . . . .
H77 H 0.5879 0.8615 0.1479 0.028 Uiso 1 1 calc R U . . .
C78 C 0.67330(19) 0.82092(18) 0.2119(2) 0.0254(8) Uani 1 1 d . . . . .
H78 H 0.6952 0.8643 0.2222 0.031 Uiso 1 1 calc R U . . .
C79 C 0.70497(17) 0.75926(18) 0.2406(2) 0.0234(7) Uani 1 1 d . . . . .
H79 H 0.7488 0.7602 0.2703 0.028 Uiso 1 1 calc R U . . .
C80 C 0.67250(16) 0.69533(17) 0.2260(2) 0.0185(6) Uani 1 1 d . . . . .
H80 H 0.6943 0.6531 0.2463 0.022 Uiso 1 1 calc R U . . .
C81 C 0.62110(16) 0.54576(16) 0.1598(2) 0.0169(6) Uani 1 1 d . . . . .
C82 C 0.66121(17) 0.56008(18) 0.1118(2) 0.0211(7) Uani 1 1 d . . . . .
H82 H 0.6585 0.6041 0.0850 0.025 Uiso 1 1 calc R U . . .
C83 C 0.70468(17) 0.5110(2) 0.1030(3) 0.0282(8) Uani 1 1 d . . . . .
H83 H 0.7317 0.5215 0.0705 0.034 Uiso 1 1 calc R U . . .
C84 C 0.7088(2) 0.4467(2) 0.1413(3) 0.0384(11) Uani 1 1 d . . . . .
H84 H 0.7389 0.4132 0.1356 0.046 Uiso 1 1 calc R U . . .
C85 C 0.6693(3) 0.4313(2) 0.1873(3) 0.0417(12) Uani 1 1 d . . . . .
H85 H 0.6723 0.3870 0.2136 0.050 Uiso 1 1 calc R U . . .
C86 C 0.6246(2) 0.48031(19) 0.1963(2) 0.0309(9) Uani 1 1 d . . . . .
H86 H 0.5967 0.4687 0.2273 0.037 Uiso 1 1 calc R U . . .
C1 C 1.10871(16) 0.72920(14) 0.1722(3) 0.046(3) Uani 0.5 1 d G . P A 1
C2 C 1.04829(17) 0.75860(14) 0.1246(2) 0.071(8) Uani 0.5 1 d G . P A 1
C3 C 1.01418(19) 0.70523(17) 0.0656(2) 0.048(4) Uani 0.5 1 d G U P A 1
C4 C 1.0536(2) 0.64416(17) 0.0770(2) 0.080(7) Uani 0.5 1 d G U P A 1
C5 C 1.11260(18) 0.65905(16) 0.1434(3) 0.052(4) Uani 0.5 1 d G . P A 1
C6 C 1.14043(17) 0.60807(16) 0.1977(3) 0.074(5) Uani 0.5 1 d G . P A 1
C7 C 1.16590(14) 0.62427(16) 0.2837(3) 0.072(5) Uani 0.5 1 d G U P A 1
C8 C 1.16207(13) 0.69144(16) 0.3111(3) 0.092(7) Uani 0.5 1 d G U P A 1
C9 C 1.13310(14) 0.74448(14) 0.2549(3) 0.065(5) Uani 0.5 1 d G . P A 1
C10 C 1.09851(14) 0.78976(12) 0.2944(3) 0.076(7) Uani 0.5 1 d G . P A 1
C11 C 1.04018(15) 0.81817(9) 0.2483(3) 0.055(5) Uani 0.5 1 d G . P A 1
C12 C 1.01489(16) 0.80224(11) 0.1626(3) 0.041(3) Uani 0.5 1 d G . P A 1
C13 C 0.94784(16) 0.79509(13) 0.1441(3) 0.047(3) Uani 0.5 1 d G . P A 1
C14 C 0.91521(16) 0.74427(16) 0.0878(2) 0.069(5) Uani 0.5 1 d G . P A 1
C15 C 0.94950(19) 0.69841(18) 0.0481(2) 0.065(6) Uani 0.5 1 d G . P A 1
C16 C 0.9218(2) 0.63142(19) 0.0413(2) 0.071(5) Uani 0.5 1 d G U P A 1
C17 C 0.9594(2) 0.57262(18) 0.0520(2) 0.066(6) Uani 0.5 1 d G . P A 1
C18 C 1.0270(2) 0.57959(17) 0.0704(2) 0.071(5) Uani 0.5 1 d G U P A 1
C19 C 1.0573(2) 0.52420(14) 0.1295(3) 0.063(5) Uani 0.5 1 d G U P A 1
C20 C 1.1116(2) 0.53786(14) 0.1906(3) 0.089(7) Uani 0.5 1 d G U P A 1
C21 C 1.11957(19) 0.51177(13) 0.2725(3) 0.082(7) Uani 0.5 1 d G U P A 1
C22 C 1.15322(16) 0.56441(16) 0.3308(3) 0.082(6) Uani 0.5 1 d G U P A 1
C23 C 1.13744(16) 0.57594(18) 0.4032(2) 0.081(6) Uani 0.5 1 d G . P A 1
C24 C 1.13373(15) 0.64563(19) 0.4314(2) 0.058(4) Uani 0.5 1 d G U P A 1
C25 C 1.14582(14) 0.70279(18) 0.3867(2) 0.081(6) Uani 0.5 1 d G U P A 1
C26 C 1.10675(15) 0.76374(15) 0.3756(2) 0.076(5) Uani 0.5 1 d G U P A 1
C27 C 1.05665(17) 0.76656(16) 0.4095(2) 0.054(4) Uani 0.5 1 d G . P A 1
C28 C 0.99542(17) 0.79631(12) 0.3613(3) 0.068(5) Uani 0.5 1 d G U P A 1
C29 C 0.98766(16) 0.82117(9) 0.2829(3) 0.053(5) Uani 0.5 1 d G . P A 1
C30 C 0.93137(15) 0.80697(11) 0.2192(3) 0.048(4) Uani 0.5 1 d G U P A 1
C31 C 0.88391(14) 0.76834(13) 0.2354(3) 0.056(4) Uani 0.5 1 d G . P A 1
C32 C 0.85025(13) 0.71570(16) 0.1771(3) 0.071(5) Uani 0.5 1 d G . P A 1
C33 C 0.86603(15) 0.70417(18) 0.1047(2) 0.087(8) Uani 0.5 1 d G . P A 1
C34 C 0.86974(17) 0.63448(19) 0.0765(2) 0.132(11) Uani 0.5 1 d G U P A 1
C35 C 0.85766(17) 0.57732(17) 0.1212(2) 0.084(6) Uani 0.5 1 d G U P A 1
C36 C 0.8967(2) 0.51638(15) 0.1323(2) 0.082(5) Uani 0.5 1 d G U P A 1
C37 C 0.9468(2) 0.51355(15) 0.0984(2) 0.064(4) Uani 0.5 1 d G U P A 1
C38 C 1.0081(2) 0.48380(12) 0.1466(3) 0.056(6) Uani 0.5 1 d G U P A 1
C39 C 1.0158(2) 0.45895(9) 0.2250(3) 0.077(6) Uani 0.5 1 d G U P A 1
C40 C 1.0721(2) 0.47314(11) 0.2887(3) 0.053(4) Uani 0.5 1 d G . P A 1
C41 C 1.0556(2) 0.48502(13) 0.3638(3) 0.053(3) Uani 0.5 1 d G . P A 1
C42 C 1.08827(19) 0.53584(17) 0.4201(2) 0.063(4) Uani 0.5 1 d G . P A 1
C43 C 1.05398(19) 0.58171(19) 0.4598(2) 0.063(5) Uani 0.5 1 d G . P A 1
C44 C 1.08172(18) 0.6487(2) 0.4666(2) 0.072(6) Uani 0.5 1 d G . P A 1
C45 C 1.04410(18) 0.70749(18) 0.4559(2) 0.043(4) Uani 0.5 1 d G . P A 1
C46 C 0.97649(18) 0.70052(17) 0.4375(2) 0.089(7) Uani 0.5 1 d G U P A 1
C47 C 0.94620(17) 0.75592(14) 0.3784(3) 0.041(5) Uani 0.5 1 d G . P A 1
C48 C 0.89190(15) 0.74226(14) 0.3173(3) 0.072(6) Uani 0.5 1 d G U P A 1
C49 C 0.86304(15) 0.67205(16) 0.3102(3) 0.056(4) Uani 0.5 1 d G . P A 1
C50 C 0.83758(13) 0.65584(16) 0.2242(3) 0.080(6) Uani 0.5 1 d G U P A 1
C51 C 0.84141(15) 0.58867(16) 0.1968(3) 0.111(8) Uani 0.5 1 d G U P A 1
C52 C 0.87039(17) 0.53563(14) 0.2530(3) 0.061(4) Uani 0.5 1 d G . P A 1
C53 C 0.9050(2) 0.49035(12) 0.2135(3) 0.077(6) Uani 0.5 1 d G U P A 1
C54 C 0.9633(2) 0.46194(10) 0.2596(3) 0.066(5) Uani 0.5 1 d G . P A 1
C55 C 0.9886(2) 0.47787(12) 0.3453(3) 0.074(7) Uani 0.5 1 d G U P A 1
C56 C 0.9552(2) 0.52152(15) 0.3833(2) 0.068(5) Uani 0.5 1 d G . P A 1
C57 C 0.98930(19) 0.57488(18) 0.4423(2) 0.073(5) Uani 0.5 1 d G U P A 1
C58 C 0.94991(19) 0.63595(18) 0.4309(2) 0.064(6) Uani 0.5 1 d G U P A 1
C59 C 0.89088(17) 0.62107(16) 0.3645(2) 0.047(3) Uani 0.5 1 d G . P A 1
C60 C 0.89477(18) 0.55091(15) 0.3357(3) 0.058(4) Uani 0.5 1 d G U P A 1


_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
Co1 P1 2.2300(8) 2_655 ?
Co1 P1 2.2301(8) . ?
Co1 P2 2.2687(8) 2_655 ?
Co1 P2 2.2687(8) . ?
Co1 Cl1 2.3665(17) . ?
P1 C67 1.821(3) . ?
P1 C61 1.822(3) . ?
P1 C73 1.847(3) . ?
P2 C75 1.830(3) . ?
P2 C81 1.831(3) . ?
P2 C74 1.855(3) . ?
C61 C66 1.398(4) . ?
C61 C62 1.401(4) . ?
C62 C63 1.390(5) . ?
C63 C64 1.389(6) . ?
C64 C65 1.388(5) . ?
C65 C66 1.391(5) . ?
C67 C68 1.395(5) . ?
C67 C72 1.396(4) . ?
C68 C69 1.394(5) . ?
C69 C70 1.393(6) . ?
C70 C71 1.374(6) . ?
C71 C72 1.393(5) . ?
C73 C74 1.522(4) . ?
C75 C80 1.389(5) . ?
C75 C76 1.396(4) . ?
C76 C77 1.387(5) . ?
C77 C78 1.383(6) . ?
C78 C79 1.383(5) . ?
C79 C80 1.401(5) . ?
C81 C86 1.388(5) . ?
C81 C82 1.400(5) . ?
C82 C83 1.383(5) . ?
C83 C84 1.380(6) . ?
C84 C85 1.369(7) . ?
C85 C86 1.404(6) . ?
C1 C48 0.309(5) 2_755 ?
C1 C49 1.249(4) 2_755 ?
C1 C47 1.360(7) 2_755 ?
C1 C9 1.3771 . ?
C1 C5 1.4387 . ?
C1 C2 1.4512 . ?
C1 C31 1.703(8) 2_755 ?
C2 C47 0.155(6) 2_755 ?
C2 C28 1.285(6) 2_755 ?
C2 C12 1.3948 . ?
C2 C48 1.427(7) 2_755 ?
C2 C3 1.4704 . ?
C2 C46 1.517(5) 2_755 ?
C3 C46 0.245(7) 2_755 ?
C3 C45 1.230(8) 2_755 ?
C3 C15 1.3768 . ?
C3 C4 1.4341 . ?
C3 C47 1.453(6) 2_755 ?
C3 C58 1.536(4) 2_755 ?
C4 C58 0.206(5) 2_755 ?
C4 C46 1.251(4) 2_755 ?
C4 C18 1.3568 . ?
C4 C59 1.400(9) 2_755 ?
C4 C5 1.4750 . ?
C4 C57 1.604(5) 2_755 ?
C5 C59 0.7380(17) 2_755 ?
C5 C49 0.849(8) 2_755 ?
C5 C6 1.3567 . ?
C5 C58 1.629(9) 2_755 ?
C5 C48 1.739(3) 2_755 ?
C6 C59 1.105(9) 2_755 ?
C6 C49 1.2299(10) 2_755 ?
C6 C60 1.362(6) 2_755 ?
C6 C7 1.4341 . ?
C6 C20 1.4749 . ?
C6 C50 1.564(7) 2_755 ?
C6 C52 1.672(4) 2_755 ?
C6 C51 1.756(9) 2_755 ?
C7 C50 0.6177(19) 2_755 ?
C7 C51 0.795(4) 2_755 ?
C7 C8 1.3768 . ?
C7 C22 1.4704 . ?
C7 C49 1.783(8) 2_755 ?
C7 C52 1.898(4) 2_755 ?
C7 C32 1.941(4) 2_755 ?
C8 C32 0.601(5) 2_755 ?
C8 C50 0.909(6) 2_755 ?
C8 C9 1.4090 . ?
C8 C25 1.4515 . ?
C8 C33 1.740(8) 2_755 ?
C8 C31 1.827(4) 2_755 ?
C8 C51 1.9684 2_755 ?
C8 C49 2.003(8) 2_755 ?
C9 C31 0.643(5) 2_755 ?
C9 C48 1.186(8) 2_755 ?
C9 C32 1.233(7) 2_755 ?
C9 C10 1.4478 . ?
C9 C49 1.790(5) 2_755 ?
C9 C50 1.811(2) 2_755 ?
C9 C30 2.007(5) 2_755 ?
C10 C30 0.712(6) 2_755 ?
C10 C31 0.834(6) 2_755 ?
C10 C11 1.4020 . ?
C10 C26 1.4266 . ?
C10 C13 1.672(8) 2_755 ?
C10 C32 1.786(3) 2_755 ?
C11 C29 0.684(8) 2_755 ?
C11 C30 0.733(7) 2_755 ?
C11 C12 1.4284 . ?
C11 C29 1.4514 . ?
C11 C11 1.795(6) 2_755 ?
C11 C13 1.822(8) 2_755 ?
C11 C28 1.841(8) 2_755 ?
C11 C31 1.877(5) 2_755 ?
C12 C28 0.418(8) 2_755 ?
C12 C29 1.012(8) 2_755 ?
C12 C13 1.4266 . ?
C12 C47 1.541(5) 2_755 ?
C12 C27 1.818(6) 2_755 ?
C12 C30 2.006(8) 2_755 ?
C13 C27 1.041(7) 2_755 ?
C13 C28 1.285(7) 2_755 ?
C13 C26 1.298(6) 2_755 ?
C13 C14 1.4020 . ?
C13 C30 1.4477 . ?
C13 C29 1.662(7) 2_755 ?
C13 C10 1.673(8) 2_755 ?
C13 C11 1.822(9) 2_755 ?
C14 C27 0.744(6) 2_755 ?
C14 C26 0.971(8) 2_755 ?
C14 C33 1.4284 . ?
C14 C15 1.4515 . ?
C14 C45 1.503(7) 2_755 ?
C14 C25 1.729(7) 2_755 ?
C15 C45 0.246(6) 2_755 ?
C15 C44 1.157(5) 2_755 ?
C15 C16 1.4090 . ?
C15 C27 1.515(4) 2_755 ?
C15 C46 1.581(8) 2_755 ?
C16 C44 0.356(2) 2_755 ?
C16 C43 1.094(4) 2_755 ?
C16 C17 1.3772 . ?
C16 C34 1.4477 . ?
C16 C24 1.461(8) 2_755 ?
C16 C45 1.632(4) 2_755 ?
C16 C42 1.976(3) 2_755 ?
C17 C43 0.349(8) 2_755 ?
C17 C57 1.111(9) 2_755 ?
C17 C18 1.4387 . ?
C17 C37 1.4512 . ?
C17 C42 1.459(7) 2_755 ?
C17 C44 1.693(4) 2_755 ?
C18 C57 0.371(9) 2_755 ?
C18 C58 1.195(3) 2_755 ?
C18 C56 1.350(5) 2_755 ?
C18 C19 1.4749 . ?
C18 C43 1.708(9) 2_755 ?
C18 C59 1.986(8) 2_755 ?
C19 C56 0.299(10) 2_755 ?
C19 C60 1.166(8) 2_755 ?
C19 C20 1.3568 . ?
C19 C38 1.4341 . ?
C19 C55 1.503(6) 2_755 ?
C19 C57 1.653(7) 2_755 ?
C20 C60 0.494(8) 2_755 ?
C20 C52 0.922(9) 2_755 ?
C20 C21 1.4387 . ?
C20 C56 1.656(10) 2_755 ?
C20 C59 1.838(4) 2_755 ?
C20 C53 1.995(7) 2_755 ?
C21 C52 0.709(6) 2_755 ?
C21 C53 0.773(6) 2_755 ?
C21 C40 1.3771 . ?
C21 C22 1.4512 . ?
C21 C51 1.705(4) 2_755 ?
C21 C36 1.765(8) 2_755 ?
C21 C60 1.922(8) 2_755 ?
C21 C54 1.990(8) 2_755 ?
C22 C51 0.694(6) 2_755 ?
C22 C35 0.951(8) 2_755 ?
C22 C23 1.3947 . ?
C22 C52 1.470(9) 2_755 ?
C22 C36 1.696(6) 2_755 ?
C22 C53 1.909(6) 2_755 ?
C22 C50 2.020(4) 2_755 ?
C23 C35 0.459(8) 2_755 ?
C23 C34 1.196(3) 2_755 ?
C23 C36 1.399(5) 2_755 ?
C23 C24 1.4266 . ?
C23 C42 1.4284 . ?
C23 C51 1.909(8) 2_755 ?
C24 C34 0.251(4) 2_755 ?
C24 C33 1.277(4) 2_755 ?
C24 C25 1.4020 . ?
C24 C44 1.4477 . ?
C24 C16 1.461(8) 2_755 ?
C24 C35 1.626(5) 2_755 ?
C25 C33 0.337(7) 2_755 ?
C25 C32 1.142(8) 2_755 ?
C25 C26 1.4285 . ?
C25 C34 1.531(4) 2_755 ?
C25 C14 1.729(7) 2_755 ?
C26 C14 0.971(7) 2_755 ?
C26 C33 1.284(3) 2_755 ?
C26 C13 1.298(6) 2_755 ?
C26 C27 1.3948 . ?
C26 C32 1.750(6) 2_755 ?
C26 C30 1.782(7) 2_755 ?
C26 C31 1.963(8) 2_755 ?
C27 C14 0.744(6) 2_755 ?
C27 C13 1.041(7) 2_755 ?
C27 C45 1.4512 . ?
C27 C28 1.4704 . ?
C27 C15 1.515(3) 2_755 ?
C27 C12 1.818(7) 2_755 ?
C28 C12 0.418(8) 2_755 ?
C28 C2 1.285(5) 2_755 ?
C28 C13 1.285(7) 2_755 ?
C28 C29 1.3769 . ?
C28 C47 1.4341 . ?
C28 C11 1.841(9) 2_755 ?
C29 C11 0.684(8) 2_755 ?
C29 C12 1.012(8) 2_755 ?
C29 C29 1.383(8) 2_755 ?
C29 C30 1.4090 . ?
C29 C13 1.662(7) 2_755 ?
C29 C30 1.822(6) 2_755 ?
C30 C10 0.712(5) 2_755 ?
C30 C11 0.733(7) 2_755 ?
C30 C31 1.3772 . ?
C30 C26 1.782(7) 2_755 ?
C30 C29 1.822(7) 2_755 ?
C30 C12 2.006(8) 2_755 ?
C30 C9 2.008(5) 2_755 ?
C31 C9 0.643(4) 2_755 ?
C31 C10 0.834(7) 2_755 ?
C31 C48 1.4387 . ?
C31 C32 1.4512 . ?
C31 C1 1.703(7) 2_755 ?
C31 C8 1.827(4) 2_755 ?
C31 C11 1.877(6) 2_755 ?
C31 C26 1.963(9) 2_755 ?
C32 C8 0.602(5) 2_755 ?
C32 C25 1.142(9) 2_755 ?
C32 C9 1.233(8) 2_755 ?
C32 C33 1.3948 . ?
C32 C50 1.4705 . ?
C32 C26 1.750(7) 2_755 ?
C32 C10 1.786(4) 2_755 ?
C32 C7 1.941(3) 2_755 ?
C33 C25 0.337(8) 2_755 ?
C33 C24 1.277(4) 2_755 ?
C33 C26 1.284(3) 2_755 ?
C33 C34 1.4266 . ?
C33 C8 1.740(8) 2_755 ?
C34 C24 0.251(4) 2_755 ?
C34 C23 1.196(3) 2_755 ?
C34 C35 1.4019 . ?
C34 C44 1.494(8) 2_755 ?
C34 C25 1.531(5) 2_755 ?
C35 C23 0.459(8) 2_755 ?
C35 C22 0.951(8) 2_755 ?
C35 C36 1.4285 . ?
C35 C51 1.4514 . ?
C35 C24 1.626(5) 2_755 ?
C35 C42 1.748(7) 2_755 ?
C36 C42 1.105(7) 2_755 ?
C36 C41 1.196(8) 2_755 ?
C36 C37 1.3948 . ?
C36 C23 1.399(4) 2_755 ?
C36 C53 1.4266 . ?
C36 C40 1.551(8) 2_755 ?
C36 C22 1.695(6) 2_755 ?
C36 C21 1.764(8) 2_755 ?
C37 C41 0.857(6) 2_755 ?
C37 C42 0.858(8) 2_755 ?
C37 C38 1.4704 . ?
C37 C55 1.613(9) 2_755 ?
C37 C43 1.633(4) 2_755 ?
C38 C55 0.177(7) 2_755 ?
C38 C56 1.299(6) 2_755 ?
C38 C41 1.366(9) 2_755 ?
C38 C39 1.3769 . ?
C38 C54 1.586(9) 2_755 ?
C39 C54 0.461(10) 2_755 ?
C39 C55 1.225(8) 2_755 ?
C39 C39 1.252(7) 2_755 ?
C39 C40 1.4090 . ?
C39 C54 1.4515 . ?
C39 C53 1.850(8) 2_755 ?
C39 C41 1.896(9) 2_755 ?
C39 C40 1.907(8) 2_755 ?
C40 C53 0.614(6) 2_755 ?
C40 C54 0.973(10) 2_755 ?
C40 C41 1.4478 . ?
C40 C36 1.551(7) 2_755 ?
C40 C39 1.907(8) 2_755 ?
C40 C52 2.022(5) 2_755 ?
C41 C37 0.857(6) 2_755 ?
C41 C36 1.196(6) 2_755 ?
C41 C38 1.366(8) 2_755 ?
C41 C42 1.4020 . ?
C41 C55 1.4266 . ?
C41 C53 1.784(7) 2_755 ?
C41 C39 1.896(9) 2_755 ?
C42 C37 0.858(7) 2_755 ?
C42 C36 1.105(7) 2_755 ?
C42 C43 1.4515 . ?
C42 C17 1.459(6) 2_755 ?
C42 C35 1.748(7) 2_755 ?
C42 C16 1.976(3) 2_755 ?
C43 C17 0.349(7) 2_755 ?
C43 C16 1.094(4) 2_755 ?
C43 C57 1.3769 . ?
C43 C44 1.4090 . ?
C43 C37 1.633(5) 2_755 ?
C43 C18 1.708(8) 2_755 ?
C44 C16 0.356(2) 2_755 ?
C44 C15 1.157(4) 2_755 ?
C44 C45 1.3772 . ?
C44 C34 1.494(8) 2_755 ?
C44 C17 1.693(4) 2_755 ?
C45 C15 0.246(5) 2_755 ?
C45 C3 1.230(8) 2_755 ?
C45 C46 1.4387 . ?
C45 C14 1.503(7) 2_755 ?
C45 C16 1.632(3) 2_755 ?
C46 C3 0.245(6) 2_755 ?
C46 C4 1.251(4) 2_755 ?
C46 C58 1.3567 . ?
C46 C47 1.4750 . ?
C46 C2 1.517(6) 2_755 ?
C46 C15 1.581(7) 2_755 ?
C47 C2 0.155(6) 2_755 ?
C47 C48 1.3567 . ?
C47 C1 1.360(5) 2_755 ?
C47 C3 1.453(6) 2_755 ?
C47 C12 1.541(6) 2_755 ?
C48 C1 0.309(7) 2_755 ?
C48 C9 1.186(9) 2_755 ?
C48 C2 1.427(8) 2_755 ?
C48 C49 1.4750 . ?
C48 C5 1.739(3) 2_755 ?
C49 C5 0.849(8) 2_755 ?
C49 C6 1.2298(10) 2_755 ?
C49 C1 1.249(5) 2_755 ?
C49 C59 1.3567 . ?
C49 C50 1.4341 . ?
C49 C7 1.783(7) 2_755 ?
C49 C9 1.790(6) 2_755 ?
C49 C8 2.003(9) 2_755 ?
C50 C7 0.6178(18) 2_755 ?
C50 C8 0.909(6) 2_755 ?
C50 C51 1.3769 . ?
C50 C6 1.564(7) 2_755 ?
C50 C9 1.810(2) 2_755 ?
C50 C22 2.020(4) 2_755 ?
C51 C22 0.694(6) 2_755 ?
C51 C7 0.795(4) 2_755 ?
C51 C52 1.4090 . ?
C51 C21 1.705(4) 2_755 ?
C51 C6 1.756(8) 2_755 ?
C51 C23 1.909(8) 2_755 ?
C51 C8 1.9685 2_755 ?
C52 C21 0.709(6) 2_755 ?
C52 C20 0.922(9) 2_755 ?
C52 C60 1.3772 . ?
C52 C53 1.4477 . ?
C52 C22 1.470(8) 2_755 ?
C52 C6 1.672(4) 2_755 ?
C52 C7 1.898(3) 2_755 ?
C52 C40 2.022(6) 2_755 ?
C53 C40 0.615(7) 2_755 ?
C53 C21 0.773(6) 2_755 ?
C53 C54 1.4019 . ?
C53 C41 1.784(8) 2_755 ?
C53 C39 1.850(9) 2_755 ?
C53 C22 1.909(5) 2_755 ?
C53 C20 1.995(6) 2_755 ?
C54 C39 0.461(9) 2_755 ?
C54 C40 0.973(9) 2_755 ?
C54 C55 1.4284 . ?
C54 C38 1.586(8) 2_755 ?
C54 C54 1.749(8) 2_755 ?
C54 C21 1.990(7) 2_755 ?
C55 C38 0.177(7) 2_755 ?
C55 C39 1.225(8) 2_755 ?
C55 C56 1.3948 . ?
C55 C19 1.503(5) 2_755 ?
C55 C37 1.613(8) 2_755 ?
C56 C19 0.299(9) 2_755 ?
C56 C38 1.299(6) 2_755 ?
C56 C18 1.350(4) 2_755 ?
C56 C60 1.4512 . ?
C56 C57 1.4705 . ?
C56 C20 1.656(8) 2_755 ?
C57 C18 0.371(8) 2_755 ?
C57 C17 1.111(8) 2_755 ?
C57 C58 1.4341 . ?
C57 C4 1.604(4) 2_755 ?
C57 C19 1.653(7) 2_755 ?
C58 C4 0.206(5) 2_755 ?
C58 C18 1.195(3) 2_755 ?
C58 C59 1.4750 . ?
C58 C3 1.536(4) 2_755 ?
C58 C5 1.629(8) 2_755 ?
C59 C5 0.7379(16) 2_755 ?
C59 C6 1.105(8) 2_755 ?
C59 C4 1.400(8) 2_755 ?
C59 C60 1.4387 . ?
C59 C20 1.838(4) 2_755 ?
C59 C18 1.986(8) 2_755 ?
C60 C20 0.494(7) 2_755 ?
C60 C19 1.166(8) 2_755 ?
C60 C6 1.362(5) 2_755 ?
C60 C21 1.922(8) 2_755 ?

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 Co1 P1 177.45(5) 2_655 . ?
P1 Co1 P2 84.50(3) 2_655 2_655 ?
P1 Co1 P2 95.80(3) . 2_655 ?
P1 Co1 P2 95.80(3) 2_655 . ?
P1 Co1 P2 84.50(3) . . ?
P2 Co1 P2 166.36(5) 2_655 . ?
P1 Co1 Cl1 88.72(2) 2_655 . ?
P1 Co1 Cl1 88.72(2) . . ?
P2 Co1 Cl1 96.82(2) 2_655 . ?
P2 Co1 Cl1 96.82(2) . . ?
C67 P1 C61 105.00(14) . . ?
C67 P1 C73 101.45(15) . . ?
C61 P1 C73 102.94(15) . . ?
C67 P1 Co1 114.34(11) . . ?
C61 P1 Co1 123.31(11) . . ?
C73 P1 Co1 107.12(11) . . ?
C75 P2 C81 103.28(15) . . ?
C75 P2 C74 103.54(15) . . ?
C81 P2 C74 100.11(15) . . ?
C75 P2 Co1 115.88(10) . . ?
C81 P2 Co1 122.61(11) . . ?
C74 P2 Co1 108.84(10) . . ?
C66 C61 C62 118.9(3) . . ?
C66 C61 P1 121.6(2) . . ?
C62 C61 P1 119.5(3) . . ?
C63 C62 C61 120.3(3) . . ?
C64 C63 C62 120.2(3) . . ?
C65 C64 C63 120.0(3) . . ?
C64 C65 C66 120.1(3) . . ?
C65 C66 C61 120.4(3) . . ?
C68 C67 C72 119.1(3) . . ?
C68 C67 P1 121.9(2) . . ?
C72 C67 P1 118.9(3) . . ?
C69 C68 C67 120.5(3) . . ?
C70 C69 C68 119.6(4) . . ?
C71 C70 C69 120.4(3) . . ?
C70 C71 C72 120.2(3) . . ?
C71 C72 C67 120.3(3) . . ?
C74 C73 P1 105.9(2) . . ?
C73 C74 P2 107.5(2) . . ?
C80 C75 C76 119.0(3) . . ?
C80 C75 P2 121.4(2) . . ?
C76 C75 P2 119.4(3) . . ?
C77 C76 C75 120.4(3) . . ?
C78 C77 C76 120.5(3) . . ?
C79 C78 C77 119.7(3) . . ?
C78 C79 C80 120.1(3) . . ?
C75 C80 C79 120.2(3) . . ?
C86 C81 C82 118.5(3) . . ?
C86 C81 P2 122.1(3) . . ?
C82 C81 P2 119.3(2) . . ?
C83 C82 C81 120.9(3) . . ?
C84 C83 C82 120.1(4) . . ?
C85 C84 C83 119.9(4) . . ?
C84 C85 C86 120.7(4) . . ?
C81 C86 C85 119.9(4) . . ?
C48 C1 C49 132.2(18) 2_755 2_755 ?
C48 C1 C47 82.9(13) 2_755 2_755 ?
C49 C1 C47 140.1(5) 2_755 2_755 ?
C48 C1 C9 46.5(14) 2_755 . ?
C49 C1 C9 85.8(4) 2_755 . ?
C47 C1 C9 124.6(3) 2_755 . ?
C48 C1 C5 164.9(12) 2_755 . ?
C49 C1 C5 35.9(4) 2_755 . ?
C47 C1 C5 105.51(17) 2_755 . ?
C9 C1 C5 120.0 . . ?
C48 C1 C2 79.5(14) 2_755 . ?
C49 C1 C2 141.5(3) 2_755 . ?
C47 C1 C2 5.1(3) 2_755 . ?
C9 C1 C2 120.0 . . ?
C5 C1 C2 108.1 . . ?
C48 C1 C31 28.7(12) 2_755 2_755 ?
C49 C1 C31 105.1(5) 2_755 2_755 ?
C47 C1 C31 103.9(3) 2_755 2_755 ?
C9 C1 C31 20.87(18) . 2_755 ?
C5 C1 C31 136.44(13) . 2_755 ?
C2 C1 C31 99.29(18) . 2_755 ?
C47 C2 C28 163.7(16) 2_755 2_755 ?
C47 C2 C12 158.9(18) 2_755 . ?
C28 C2 C12 17.3(3) 2_755 . ?
C47 C2 C48 60(3) 2_755 2_755 ?
C28 C2 C48 125.9(6) 2_755 2_755 ?
C12 C2 C48 108.6(2) . 2_755 ?
C47 C2 C1 51(3) 2_755 . ?
C28 C2 C1 137.0(4) 2_755 . ?
C12 C2 C1 120.0 . . ?
C48 C2 C1 12.30(18) 2_755 . ?
C47 C2 C3 81(2) 2_755 . ?
C28 C2 C3 104.9(3) 2_755 . ?
C12 C2 C3 119.8 . . ?
C48 C2 C3 119.96(12) 2_755 . ?
C1 C2 C3 108.0 . . ?
C47 C2 C46 71(2) 2_755 2_755 ?
C28 C2 C46 114.0(5) 2_755 2_755 ?
C12 C2 C46 129.0(3) . 2_755 ?
C48 C2 C46 112.8(2) 2_755 2_755 ?
C1 C2 C46 100.6(3) . 2_755 ?
C3 C2 C46 9.2(3) . 2_755 ?
C46 C3 C45 145.4(18) 2_755 2_755 ?
C46 C3 C15 143.7(14) 2_755 . ?
C45 C3 C15 8.71(17) 2_755 . ?
C46 C3 C4 38.2(8) 2_755 . ?
C45 C3 C4 127.5 2_755 . ?
C15 C3 C4 120.1 . . ?
C46 C3 C47 90.4(15) 2_755 2_755 ?
C45 C3 C47 122.9(4) 2_755 2_755 ?
C15 C3 C47 126.0(2) . 2_755 ?
C4 C3 C47 103.4(2) . 2_755 ?
C46 C3 C2 96.4(14) 2_755 . ?
C45 C3 C2 117.08(19) 2_755 . ?
C15 C3 C2 120.0 . . ?
C4 C3 C2 107.8 . . ?
C47 C3 C2 6.0(3) 2_755 . ?
C46 C3 C58 39.9(5) 2_755 2_755 ?
C45 C3 C58 121.7(3) 2_755 2_755 ?
C15 C3 C58 114.7(3) . 2_755 ?
C4 C3 C58 6.9(3) . 2_755 ?
C47 C3 C58 110.3(5) 2_755 2_755 ?
C2 C3 C58 114.7(3) . 2_755 ?
C58 C4 C46 117(2) 2_755 2_755 ?
C58 C4 C18 35.5(14) 2_755 . ?
C46 C4 C18 125.1(3) 2_755 . ?
C58 C4 C59 107(2) 2_755 2_755 ?
C46 C4 C59 135.4(5) 2_755 2_755 ?
C18 C4 C59 92.17(12) . 2_755 ?
C58 C4 C3 116(2) 2_755 . ?
C46 C4 C3 7.0(3) 2_755 . ?
C18 C4 C3 119.9 . . ?
C59 C4 C3 136.04(16) 2_755 . ?
C58 C4 C5 136(2) 2_755 . ?
C46 C4 C5 106.3(3) 2_755 . ?
C18 C4 C5 120.0 . . ?
C59 C4 C5 29.60(12) 2_755 . ?
C3 C4 C5 107.9 . . ?
C58 C4 C57 32.4(14) 2_755 2_755 ?
C46 C4 C57 115.1(6) 2_755 2_755 ?
C18 C4 C57 10.8(3) . 2_755 ?
C59 C4 C57 102.9(2) 2_755 2_755 ?
C3 C4 C57 110.3(3) . 2_755 ?
C5 C4 C57 130.4(3) . 2_755 ?
C59 C5 C49 117.4(9) 2_755 2_755 ?
C59 C5 C6 54.5(7) 2_755 . ?
C49 C5 C6 62.92(18) 2_755 . ?
C59 C5 C1 164.7(4) 2_755 . ?
C49 C5 C1 59.76(19) 2_755 . ?
C6 C5 C1 119.9 . . ?
C59 C5 C4 69.6(7) 2_755 . ?
C49 C5 C4 159.7(4) 2_755 . ?
C6 C5 C4 120.0 . . ?
C1 C5 C4 108.1 . . ?
C59 C5 C58 64.8(6) 2_755 2_755 ?
C49 C5 C58 162.7(6) 2_755 2_755 ?
C6 C5 C58 116.09(9) . 2_755 ?
C1 C5 C58 113.15(12) . 2_755 ?
C4 C5 C58 5.04(13) . 2_755 ?
C59 C5 C48 162.6(6) 2_755 2_755 ?
C49 C5 C48 57.87(17) 2_755 2_755 ?
C6 C5 C48 117.5(3) . 2_755 ?
C1 C5 C48 2.7(2) . 2_755 ?
C4 C5 C48 109.3(2) . 2_755 ?
C58 C5 C48 114.4(3) 2_755 2_755 ?
C59 C6 C49 70.8(3) 2_755 2_755 ?
C59 C6 C5 32.91(11) 2_755 . ?
C49 C6 C5 37.9(4) 2_755 . ?
C59 C6 C60 70.4(5) 2_755 2_755 ?
C49 C6 C60 137.9(7) 2_755 2_755 ?
C5 C6 C60 101.9(3) . 2_755 ?
C59 C6 C7 150.38(16) 2_755 . ?
C49 C6 C7 83.6(4) 2_755 . ?
C5 C6 C7 119.9 . . ?
C60 C6 C7 126.8(3) 2_755 . ?
C59 C6 C20 89.68(16) 2_755 . ?
C49 C6 C20 152.1(3) 2_755 . ?
C5 C6 C20 120.0 . . ?
C60 C6 C20 19.5(3) 2_755 . ?
C7 C6 C20 107.9 . . ?
C59 C6 C50 128.89(16) 2_755 2_755 ?
C49 C6 C50 60.4(2) 2_755 2_755 ?
C5 C6 C50 96.96(19) . 2_755 ?
C60 C6 C50 144.6(5) 2_755 2_755 ?
C7 C6 C50 23.27(19) . 2_755 ?
C20 C6 C50 128.13(19) . 2_755 ?
C59 C6 C52 121.5(5) 2_755 2_755 ?
C49 C6 C52 149.8(5) 2_755 2_755 ?
C5 C6 C52 146.3(3) . 2_755 ?
C60 C6 C52 52.80(10) 2_755 2_755 ?
C7 C6 C52 74.9(3) . 2_755 ?
C20 C6 C52 33.3(3) . 2_755 ?
C50 C6 C52 96.5(4) 2_755 2_755 ?
C59 C6 C51 155.7(5) 2_755 2_755 ?
C49 C6 C51 108.0(4) 2_755 2_755 ?
C5 C6 C51 139.93(10) . 2_755 ?
C60 C6 C51 100.6(3) 2_755 2_755 ?
C7 C6 C51 26.46(10) . 2_755 ?
C20 C6 C51 81.53(10) . 2_755 ?
C50 C6 C51 48.6(2) 2_755 2_755 ?
C52 C6 C51 48.5(2) 2_755 2_755 ?
C50 C7 C51 154.1(10) 2_755 2_755 ?
C50 C7 C8 31.5(8) 2_755 . ?
C51 C7 C8 128.0(5) 2_755 . ?
C50 C7 C6 90.2(8) 2_755 . ?
C51 C7 C6 100.0(6) 2_755 . ?
C8 C7 C6 120.1 . . ?
C50 C7 C22 147.8(6) 2_755 . ?
C51 C7 C22 8.4(6) 2_755 . ?
C8 C7 C22 120.0 . . ?
C6 C7 C22 107.8 . . ?
C50 C7 C49 47.0(7) 2_755 2_755 ?
C51 C7 C49 138.5(7) 2_755 2_755 ?
C8 C7 C49 77.51(14) . 2_755 ?
C6 C7 C49 43.28(14) . 2_755 ?
C22 C7 C49 144.08(18) . 2_755 ?
C50 C7 C52 141.9(9) 2_755 2_755 ?
C51 C7 C52 41.8(4) 2_755 2_755 ?
C8 C7 C52 151.71(19) . 2_755 ?
C6 C7 C52 58.2(3) . 2_755 ?
C22 C7 C52 49.8(3) . 2_755 ?
C49 C7 C52 99.2(4) 2_755 2_755 ?
C50 C7 C32 34.1(5) 2_755 2_755 ?
C51 C7 C32 123.1(7) 2_755 2_755 ?
C8 C7 C32 7.34(16) . 2_755 ?
C6 C7 C32 119.2(2) . 2_755 ?
C22 C7 C32 115.4(2) . 2_755 ?
C49 C7 C32 78.03(12) 2_755 2_755 ?
C52 C7 C32 144.4(3) 2_755 2_755 ?
C32 C8 C50 153.0(10) 2_755 2_755 ?
C32 C8 C7 155.7(4) 2_755 . ?
C50 C8 C7 20.8(4) 2_755 . ?
C32 C8 C9 60.8(7) 2_755 . ?
C50 C8 C9 100.5(4) 2_755 . ?
C7 C8 C9 120.1 . . ?
C32 C8 C25 48.2(7) 2_755 . ?
C50 C8 C25 138.6(4) 2_755 . ?
C7 C8 C25 119.7 . . ?
C9 C8 C25 108.1 . . ?
C32 C8 C33 46.4(6) 2_755 2_755 ?
C50 C8 C33 136.4(4) 2_755 2_755 ?
C7 C8 C33 118.8 . 2_755 ?
C9 C8 C33 104.85(12) . 2_755 ?
C25 C8 C33 6.27(19) . 2_755 ?
C32 C8 C31 43.5(5) 2_755 2_755 ?
C50 C8 C31 115.5(6) 2_755 2_755 ?
C7 C8 C31 133.3(2) . 2_755 ?
C9 C8 C31 17.5(3) . 2_755 ?
C25 C8 C31 90.6(3) . 2_755 ?
C33 C8 C31 87.4(2) 2_755 2_755 ?
C32 C8 C51 141.2(7) 2_755 2_755 ?
C50 C8 C51 38.38(17) 2_755 2_755 ?
C7 C8 C51 18.5(2) . 2_755 ?
C9 C8 C51 132.1(3) . 2_755 ?
C25 C8 C51 101.2(2) . 2_755 ?
C33 C8 C51 100.3(3) 2_755 2_755 ?
C31 C8 C51 140.2(4) 2_755 2_755 ?
C32 C8 C49 118.1(8) 2_755 2_755 ?
C50 C8 C49 40.2(4) 2_755 2_755 ?
C7 C8 C49 60.34(6) . 2_755 ?
C9 C8 C49 60.31(8) . 2_755 ?
C25 C8 C49 150.93(17) . 2_755 ?
C33 C8 C49 144.7(3) 2_755 2_755 ?
C31 C8 C49 75.9(3) 2_755 2_755 ?
C51 C8 C49 75.6(2) 2_755 2_755 ?
C31 C9 C48 99.5(8) 2_755 2_755 ?
C31 C9 C32 96.2(9) 2_755 2_755 ?
C48 C9 C32 150.47(19) 2_755 2_755 ?
C31 C9 C1 109.4(7) 2_755 . ?
C48 C9 C1 10.91(10) 2_755 . ?
C32 C9 C1 141.08(17) 2_755 . ?
C31 C9 C8 121.1(7) 2_755 . ?
C48 C9 C8 130.75(6) 2_755 . ?
C32 C9 C8 25.2(2) 2_755 . ?
C1 C9 C8 120.0 . . ?
C31 C9 C10 13.1(7) 2_755 . ?
C48 C9 C10 110.8(2) 2_755 . ?
C32 C9 C10 83.2(2) 2_755 . ?
C1 C9 C10 120.1 . . ?
C8 C9 C10 108.1 . . ?
C31 C9 C49 147.9(8) 2_755 2_755 ?
C48 C9 C49 55.0(2) 2_755 2_755 ?
C32 C9 C49 100.28(9) 2_755 2_755 ?
C1 C9 C49 44.1(2) . 2_755 ?
C8 C9 C49 76.5(2) . 2_755 ?
C10 C9 C49 151.6(2) . 2_755 ?
C31 C9 C50 144.6(8) 2_755 2_755 ?
C48 C9 C50 101.4(3) 2_755 2_755 ?
C32 C9 C50 53.81(12) 2_755 2_755 ?
C1 C9 C50 90.6(3) . 2_755 ?
C8 C9 C50 29.6(3) . 2_755 ?
C10 C9 C50 132.5(2) . 2_755 ?
C49 C9 C50 46.95(6) 2_755 2_755 ?
C31 C9 C30 9.5(3) 2_755 2_755 ?
C48 C9 C30 96.2(3) 2_755 2_755 ?
C32 C9 C30 95.2(4) 2_755 2_755 ?
C1 C9 C30 105.3(2) . 2_755 ?
C8 C9 C30 119.1(2) . 2_755 ?
C10 C9 C30 14.8(2) . 2_755 ?
C49 C9 C30 139.9(4) 2_755 2_755 ?
C50 C9 C30 138.5(3) 2_755 2_755 ?
C30 C10 C31 125.8(11) 2_755 2_755 ?
C30 C10 C11 14.2(7) 2_755 . ?
C31 C10 C11 111.6(5) 2_755 . ?
C30 C10 C26 108.2(7) 2_755 . ?
C31 C10 C26 118.1(4) 2_755 . ?
C11 C10 C26 120.3 . . ?
C30 C10 C9 133.8(6) 2_755 . ?
C31 C10 C9 10.1(4) 2_755 . ?
C11 C10 C9 119.8 . . ?
C26 C10 C9 108.1 . . ?
C30 C10 C13 59.5(6) 2_755 2_755 ?
C31 C10 C13 153.7(3) 2_755 2_755 ?
C11 C10 C13 72.1(2) . 2_755 ?
C26 C10 C13 48.7(2) . 2_755 ?
C9 C10 C13 146.7 . 2_755 ?
C30 C10 C32 154.9(4) 2_755 2_755 ?
C31 C10 C32 53.3(2) 2_755 2_755 ?
C11 C10 C32 149.35(17) . 2_755 ?
C26 C10 C32 64.9(3) . 2_755 ?
C9 C10 C32 43.3(3) . 2_755 ?
C13 C10 C32 109.7(3) 2_755 2_755 ?
C29 C11 C30 167.8(2) 2_755 2_755 ?
C29 C11 C10 158.3(4) 2_755 . ?
C30 C11 C10 13.8(6) 2_755 . ?
C29 C11 C12 40.6(6) 2_755 . ?
C30 C11 C12 133.7(5) 2_755 . ?
C10 C11 C12 120.0 . . ?
C29 C11 C29 70.6(7) 2_755 . ?
C30 C11 C29 108.5(6) 2_755 . ?
C10 C11 C29 120.2 . . ?
C12 C11 C29 107.8 . . ?
C29 C11 C11 49.9(5) 2_755 2_755 ?
C30 C11 C11 127.6(8) 2_755 2_755 ?
C10 C11 C11 137.4(2) . 2_755 ?
C12 C11 C11 86.8(3) . 2_755 ?
C29 C11 C11 21.1(3) . 2_755 ?
C29 C11 C13 128.7(8) 2_755 2_755 ?
C30 C11 C13 48.7(5) 2_755 2_755 ?
C10 C11 C13 60.8(2) . 2_755 ?
C12 C11 C13 150.13(12) . 2_755 ?
C29 C11 C13 59.7(2) . 2_755 ?
C11 C11 C13 79.3(3) 2_755 2_755 ?
C29 C11 C28 38.9(5) 2_755 2_755 ?
C30 C11 C28 134.9(6) 2_755 2_755 ?
C10 C11 C28 121.35(18) . 2_755 ?
C12 C11 C28 2.4(2) . 2_755 ?
C29 C11 C28 105.5(2) . 2_755 ?
C11 C11 C28 84.6(3) 2_755 2_755 ?
C13 C11 C28 148.31(19) 2_755 2_755 ?
C29 C11 C31 135.5(7) 2_755 2_755 ?
C30 C11 C31 38.2(4) 2_755 2_755 ?
C10 C11 C31 24.4(3) . 2_755 ?
C12 C11 C31 95.8(3) . 2_755 ?
C29 C11 C31 138.6(2) . 2_755 ?
C11 C11 C31 147.74(18) 2_755 2_755 ?
C13 C11 C31 82.9(2) 2_755 2_755 ?
C28 C11 C31 97.2(3) 2_755 2_755 ?
C28 C12 C29 145.5(12) 2_755 2_755 ?
C28 C12 C2 66.2(8) 2_755 . ?
C29 C12 C2 145.2(3) 2_755 . ?
C28 C12 C13 62.1(10) 2_755 . ?
C29 C12 C13 84.1(4) 2_755 . ?
C2 C12 C13 120.0 . . ?
C28 C12 C11 169.5(9) 2_755 . ?
C29 C12 C11 26.1(4) 2_755 . ?
C2 C12 C11 120.1 . . ?
C13 C12 C11 108.0 . . ?
C28 C12 C47 67.6(7) 2_755 2_755 ?
C29 C12 C47 144.4(6) 2_755 2_755 ?
C2 C12 C47 2.1(2) . 2_755 ?
C13 C12 C47 122.0(3) . 2_755 ?
C11 C12 C47 119.0(3) . 2_755 ?
C28 C12 C27 29.7(7) 2_755 2_755 ?
C29 C12 C27 118.4(5) 2_755 2_755 ?
C2 C12 C27 86.4(2) . 2_755 ?
C13 C12 C27 34.8(2) . 2_755 ?
C11 C12 C27 139.7(3) . 2_755 ?
C47 C12 C27 88.3(3) 2_755 2_755 ?
C28 C12 C30 166.8(4) 2_755 2_755 ?
C29 C12 C30 41.0(3) 2_755 2_755 ?
C2 C12 C30 104.74(15) . 2_755 ?
C13 C12 C30 119.31(19) . 2_755 ?
C11 C12 C30 15.33(15) . 2_755 ?
C47 C12 C30 103.7(3) 2_755 2_755 ?
C27 C12 C30 145.7(3) 2_755 2_755 ?
C27 C13 C28 77.6(5) 2_755 2_755 ?
C27 C13 C26 72.3(3) 2_755 2_755 ?
C28 C13 C26 147.3(4) 2_755 2_755 ?
C27 C13 C14 31.2(4) 2_755 . ?
C28 C13 C14 106.1(3) 2_755 . ?
C26 C13 C14 41.9(3) 2_755 . ?
C27 C13 C12 93.6(4) 2_755 . ?
C28 C13 C12 16.7(4) 2_755 . ?
C26 C13 C12 157.70(15) 2_755 . ?
C14 C13 C12 120.3 . . ?
C27 C13 C30 150.7(3) 2_755 . ?
C28 C13 C30 124.7(4) 2_755 . ?
C26 C13 C30 80.7(4) 2_755 . ?
C14 C13 C30 119.8 . . ?
C12 C13 C30 108.1 . . ?
C27 C13 C29 130.3(5) 2_755 2_755 ?
C28 C13 C29 53.9(2) 2_755 2_755 ?
C26 C13 C29 148.6(6) 2_755 2_755 ?
C14 C13 C29 150.27(11) . 2_755 ?
C12 C13 C29 37.3(3) . 2_755 ?
C30 C13 C29 71.3(3) . 2_755 ?
C27 C13 C10 126.9(4) 2_755 2_755 ?
C28 C13 C10 147.1(6) 2_755 2_755 ?
C26 C13 C10 55.7(3) 2_755 2_755 ?
C14 C13 C10 95.65(19) . 2_755 ?
C12 C13 C10 131.2(3) . 2_755 ?
C30 C13 C10 25.1(2) . 2_755 ?
C29 C13 C10 95.8(4) 2_755 2_755 ?
C27 C13 C11 162.3(3) 2_755 2_755 ?
C28 C13 C11 102.5(4) 2_755 2_755 ?
C26 C13 C11 102.4(5) 2_755 2_755 ?
C14 C13 C11 138.00(13) . 2_755 ?
C12 C13 C11 85.8(2) . 2_755 ?
C30 C13 C11 22.4(2) . 2_755 ?
C29 C13 C11 49.0(2) 2_755 2_755 ?
C10 C13 C11 47.1(2) 2_755 2_755 ?
C27 C14 C26 108.1(5) 2_755 2_755 ?
C27 C14 C13 46.5(6) 2_755 . ?
C26 C14 C13 63.3(3) 2_755 . ?
C27 C14 C33 165.4(6) 2_755 . ?
C26 C14 C33 61.2(2) 2_755 . ?
C13 C14 C33 120.0 . . ?
C27 C14 C15 80.2(4) 2_755 . ?
C26 C14 C15 164.0(3) 2_755 . ?
C13 C14 C15 120.2 . . ?
C33 C14 C15 107.8 . . ?
C27 C14 C45 71.6(6) 2_755 2_755 ?
C26 C14 C45 170.1(6) 2_755 2_755 ?
C13 C14 C45 113.6(2) . 2_755 ?
C33 C14 C45 117.00(17) . 2_755 ?
C15 C14 C45 9.35(15) . 2_755 ?
C27 C14 C25 161.5(8) 2_755 2_755 ?
C26 C14 C25 55.7(3) 2_755 2_755 ?
C13 C14 C25 115.3(2) . 2_755 ?
C33 C14 C25 5.57(17) . 2_755 ?
C15 C14 C25 113.33(15) . 2_755 ?
C45 C14 C25 122.55(10) 2_755 2_755 ?
C45 C15 C44 151.1(17) 2_755 2_755 ?
C45 C15 C3 49.2(16) 2_755 . ?
C44 C15 C3 129.7(4) 2_755 . ?
C45 C15 C16 152.9(13) 2_755 . ?
C44 C15 C16 11.3(3) 2_755 . ?
C3 C15 C16 120.1 . . ?
C45 C15 C14 97.3(13) 2_755 . ?
C44 C15 C14 103.6(4) 2_755 . ?
C3 C15 C14 119.7 . . ?
C16 C15 C14 108.1 . . ?
C45 C15 C27 70.5(11) 2_755 2_755 ?
C44 C15 C27 132.5(6) 2_755 2_755 ?
C3 C15 C27 93.0(3) . 2_755 ?
C16 C15 C27 136.1(3) . 2_755 ?
C14 C15 C27 29.0(3) . 2_755 ?
C45 C15 C46 51.0(15) 2_755 2_755 ?
C44 C15 C46 125.3(4) 2_755 2_755 ?
C3 C15 C46 5.27(16) . 2_755 ?
C16 C15 C46 116.2 . 2_755 ?
C14 C15 C46 125.02(16) . 2_755 ?
C27 C15 C46 98.1(3) 2_755 2_755 ?
C44 C16 C43 148.2(16) 2_755 2_755 ?
C44 C16 C17 149.3(14) 2_755 . ?
C43 C16 C17 9.6(4) 2_755 . ?
C44 C16 C15 39.5(12) 2_755 . ?
C43 C16 C15 125.9(4) 2_755 . ?
C17 C16 C15 120.0 . . ?
C44 C16 C34 90.6(14) 2_755 . ?
C43 C16 C34 119.8(4) 2_755 . ?
C17 C16 C34 120.1 . . ?
C15 C16 C34 108.1 . . ?
C44 C16 C24 80.8(13) 2_755 2_755 ?
C43 C16 C24 129.0(5) 2_755 2_755 ?
C17 C16 C24 129.89(12) . 2_755 ?
C15 C16 C24 101.05(7) . 2_755 ?
C34 C16 C24 9.90(16) . 2_755 ?
C44 C16 C45 39.7(10) 2_755 2_755 ?
C43 C16 C45 123.3(7) 2_755 2_755 ?
C17 C16 C45 117.8(3) . 2_755 ?
C15 C16 C45 3.9(3) . 2_755 ?
C34 C16 C45 111.7(3) . 2_755 ?
C24 C16 C45 104.5(2) 2_755 2_755 ?
C44 C16 C42 161.7(16) 2_755 2_755 ?
C43 C16 C42 46.18(16) 2_755 2_755 ?
C17 C16 C42 47.6(2) . 2_755 ?
C15 C16 C42 154.5(2) . 2_755 ?
C34 C16 C42 73.6(2) . 2_755 ?
C24 C16 C42 83.0(3) 2_755 2_755 ?
C45 C16 C42 155.6(4) 2_755 2_755 ?
C43 C17 C57 134.1(12) 2_755 2_755 ?
C43 C17 C16 31.3(7) 2_755 . ?
C57 C17 C16 122.7 2_755 . ?
C43 C17 C18 136.3(11) 2_755 . ?
C57 C17 C18 7.8(3) 2_755 . ?
C16 C17 C18 120.0 . . ?
C43 C17 C37 115.6(11) 2_755 . ?
C57 C17 C37 109.9(2) 2_755 . ?
C16 C17 C37 120.0 . . ?
C18 C17 C37 108.1 . . ?
C43 C17 C42 81.8(12) 2_755 2_755 ?
C57 C17 C42 144.0(5) 2_755 2_755 ?
C16 C17 C42 88.24(19) . 2_755 ?
C18 C17 C42 141.1(3) . 2_755 ?
C37 C17 C42 34.3(2) . 2_755 ?
C43 C17 C44 32.0(5) 2_755 2_755 ?
C57 C17 C44 117.4(2) 2_755 2_755 ?
C16 C17 C44 6.2(3) . 2_755 ?
C18 C17 C44 115.2(2) . 2_755 ?
C37 C17 C44 126.1(3) . 2_755 ?
C42 C17 C44 94.3(4) 2_755 2_755 ?
C57 C18 C58 123.6(8) 2_755 2_755 ?
C57 C18 C56 101.7(4) 2_755 2_755 ?
C58 C18 C56 134.5(8) 2_755 2_755 ?
C57 C18 C4 126.1(4) 2_755 . ?
C58 C18 C4 5.7(3) 2_755 . ?
C56 C18 C4 131.0(4) 2_755 . ?
C57 C18 C17 24.1(9) 2_755 . ?
C58 C18 C17 120.1(4) 2_755 . ?
C56 C18 C17 98.8(4) 2_755 . ?
C4 C18 C17 119.9 . . ?
C57 C18 C19 112.6(5) 2_755 . ?
C58 C18 C19 123.4(4) 2_755 . ?
C56 C18 C19 11.1(4) 2_755 . ?
C4 C18 C19 120.0 . . ?
C17 C18 C19 108.1 . . ?
C57 C18 C43 23.7(7) 2_755 2_755 ?
C58 C18 C43 112.8(4) 2_755 2_755 ?
C56 C18 C43 106.9(4) 2_755 2_755 ?
C4 C18 C43 113.1 . 2_755 ?
C17 C18 C43 8.13(13) . 2_755 ?
C19 C18 C43 116.24(13) . 2_755 ?
C57 C18 C59 170.5(5) 2_755 2_755 ?
C58 C18 C59 47.7(3) 2_755 2_755 ?
C56 C18 C59 86.8(5) 2_755 2_755 ?
C4 C18 C59 44.78(12) . 2_755 ?
C17 C18 C59 150.97(14) . 2_755 ?
C19 C18 C59 75.77(14) . 2_755 ?
C43 C18 C59 149.1(2) 2_755 2_755 ?
C56 C19 C60 160.4(10) 2_755 2_755 ?
C56 C19 C20 176.1(12) 2_755 . ?
C60 C19 C20 20.9(3) 2_755 . ?
C56 C19 C38 57.6(11) 2_755 . ?
C60 C19 C38 139.7(3) 2_755 . ?
C20 C19 C38 119.9 . . ?
C56 C19 C18 59.9(5) 2_755 . ?
C60 C19 C18 100.9(3) 2_755 . ?
C20 C19 C18 120.0 . . ?
C38 C19 C18 107.9 . . ?
C56 C19 C55 63.4(9) 2_755 2_755 ?
C60 C19 C55 134.5(7) 2_755 2_755 ?
C20 C19 C55 114.3(4) . 2_755 ?
C38 C19 C55 6.3(3) . 2_755 ?
C18 C19 C55 114.2(3) . 2_755 ?
C56 C19 C57 48.1(6) 2_755 2_755 ?
C60 C19 C57 112.87(15) 2_755 2_755 ?
C20 C19 C57 131.7(2) . 2_755 ?
C38 C19 C57 97.1(3) . 2_755 ?
C18 C19 C57 11.9(2) . 2_755 ?
C55 C19 C57 103.4(5) 2_755 2_755 ?
C60 C20 C52 151.7(7) 2_755 2_755 ?
C60 C20 C19 57.2(8) 2_755 . ?
C52 C20 C19 142.6(4) 2_755 . ?
C60 C20 C21 165.8(6) 2_755 . ?
C52 C20 C21 24.4(3) 2_755 . ?
C19 C20 C21 119.9 . . ?
C60 C20 C6 67.3(7) 2_755 . ?
C52 C20 C6 85.12(17) 2_755 . ?
C19 C20 C6 120.0 . . ?
C21 C20 C6 108.1 . . ?
C60 C20 C56 57.5(8) 2_755 2_755 ?
C52 C20 C56 142.1(5) 2_755 2_755 ?
C19 C20 C56 0.7(2) . 2_755 ?
C21 C20 C56 119.43(19) . 2_755 ?
C6 C20 C56 119.94(9) . 2_755 ?
C60 C20 C59 31.2(4) 2_755 2_755 ?
C52 C20 C59 120.5(3) 2_755 2_755 ?
C19 C20 C59 83.8(3) . 2_755 ?
C21 C20 C59 140.3(2) . 2_755 ?
C6 C20 C59 37.0(3) . 2_755 ?
C56 C20 C59 83.9(3) 2_755 2_755 ?
C60 C20 C53 153.9(10) 2_755 2_755 ?
C52 C20 C53 42.0(2) 2_755 2_755 ?
C19 C20 C53 101.6(2) . 2_755 ?
C21 C20 C53 18.2(3) . 2_755 ?
C6 C20 C53 121.85(17) . 2_755 ?
C56 C20 C53 101.2(3) 2_755 2_755 ?
C59 C20 C53 145.7(2) 2_755 2_755 ?
C52 C21 C53 155.2(13) 2_755 2_755 ?
C52 C21 C40 149.8(7) 2_755 . ?
C53 C21 C40 6.2(7) 2_755 . ?
C52 C21 C20 32.4(7) 2_755 . ?
C53 C21 C20 126.1(7) 2_755 . ?
C40 C21 C20 120.0 . . ?
C52 C21 C22 77.4(6) 2_755 . ?
C53 C21 C22 114.8(6) 2_755 . ?
C40 C21 C22 120.0 . . ?
C20 C21 C22 108.1 . . ?
C52 C21 C51 53.9(4) 2_755 2_755 ?
C53 C21 C51 134.3(7) 2_755 2_755 ?
C40 C21 C51 138.3(2) . 2_755 ?
C20 C21 C51 84.4(3) . 2_755 ?
C22 C21 C51 23.7(3) . 2_755 ?
C52 C21 C36 135.8(5) 2_755 2_755 ?
C53 C21 C36 52.1(5) 2_755 2_755 ?
C40 C21 C36 57.62(19) . 2_755 ?
C20 C21 C36 150.65(16) . 2_755 ?
C22 C21 C36 62.75(17) . 2_755 ?
C51 C21 C36 84.2(3) 2_755 2_755 ?
C52 C21 C60 32.5(5) 2_755 2_755 ?
C53 C21 C60 125.0(9) 2_755 2_755 ?
C40 C21 C60 118.9(2) . 2_755 ?
C20 C21 C60 3.61(14) . 2_755 ?
C22 C21 C60 106.72(16) . 2_755 ?
C51 C21 C60 83.18(17) 2_755 2_755 ?
C36 C21 C60 147.0(3) 2_755 2_755 ?
C52 C21 C54 124.9(9) 2_755 2_755 ?
C53 C21 C54 32.6(5) 2_755 2_755 ?
C40 C21 C54 26.4(2) . 2_755 ?
C20 C21 C54 93.8(2) . 2_755 ?
C22 C21 C54 139.43(19) . 2_755 ?
C51 C21 C54 146.7(3) 2_755 2_755 ?
C36 C21 C54 81.4(3) 2_755 2_755 ?
C60 C21 C54 92.9(4) 2_755 2_755 ?
C51 C22 C35 123.0(3) 2_755 2_755 ?
C51 C22 C23 129.0(4) 2_755 . ?
C35 C22 C23 5.96(14) 2_755 . ?
C51 C22 C21 99.1(6) 2_755 . ?
C35 C22 C21 123.8(3) 2_755 . ?
C23 C22 C21 120.0 . . ?
C51 C22 C52 71.2(7) 2_755 2_755 ?
C35 C22 C52 145.3(6) 2_755 2_755 ?
C23 C22 C52 143.6(2) . 2_755 ?
C21 C22 C52 28.10(16) . 2_755 ?
C51 C22 C7 9.6(5) 2_755 . ?
C35 C22 C7 113.87(13) 2_755 . ?
C23 C22 C7 119.8 . . ?
C21 C22 C7 108.0 . . ?
C52 C22 C7 80.42(14) 2_755 . ?
C51 C22 C36 151.0(8) 2_755 2_755 ?
C35 C22 C36 57.4(3) 2_755 2_755 ?
C23 C22 C36 52.7(2) . 2_755 ?
C21 C22 C36 67.7(2) . 2_755 ?
C52 C22 C36 94.3(3) 2_755 2_755 ?
C7 C22 C36 151.0(2) . 2_755 ?
C51 C22 C53 117.4(8) 2_755 2_755 ?
C35 C22 C53 102.5(4) 2_755 2_755 ?
C23 C22 C53 98.5(2) . 2_755 ?
C21 C22 C53 21.6(2) . 2_755 ?
C52 C22 C53 48.64(19) 2_755 2_755 ?
C7 C22 C53 125.3(2) . 2_755 ?
C36 C22 C53 46.17(14) 2_755 2_755 ?
C51 C22 C50 18.0(3) 2_755 2_755 ?
C35 C22 C50 105.06(9) 2_755 2_755 ?
C23 C22 C50 111.01(19) . 2_755 ?
C21 C22 C50 112.7(2) . 2_755 ?
C52 C22 C50 86.0(3) 2_755 2_755 ?
C7 C22 C50 9.38(17) . 2_755 ?
C36 C22 C50 143.8(3) 2_755 2_755 ?
C53 C22 C50 127.5(4) 2_755 2_755 ?
C35 C23 C34 107.2(3) 2_755 2_755 ?
C35 C23 C22 12.43(9) 2_755 . ?
C34 C23 C22 119.6(4) 2_755 . ?
C35 C23 C36 84.3(6) 2_755 2_755 ?
C34 C23 C36 141.7(6) 2_755 2_755 ?
C22 C23 C36 74.7(3) . 2_755 ?
C35 C23 C24 107.65(7) 2_755 . ?
C34 C23 C24 4.4(3) 2_755 . ?
C22 C23 C24 120.0 . . ?
C36 C23 C24 145.8(3) 2_755 . ?
C35 C23 C42 127.8(7) 2_755 . ?
C34 C23 C42 105.5(3) 2_755 . ?
C22 C23 C42 120.0 . . ?
C36 C23 C42 46.0(3) 2_755 . ?
C24 C23 C42 108.0 . . ?
C35 C23 C51 4.06(14) 2_755 2_755 ?
C34 C23 C51 103.2(3) 2_755 2_755 ?
C22 C23 C51 16.4 . 2_755 ?
C36 C23 C51 88.0(4) 2_755 2_755 ?
C24 C23 C51 103.6 . 2_755 ?
C42 C23 C51 130.74(18) . 2_755 ?
C34 C24 C33 122.0(17) 2_755 2_755 ?
C34 C24 C25 116.6(16) 2_755 . ?
C33 C24 C25 13.4(3) 2_755 . ?
C34 C24 C23 21.2(13) 2_755 . ?
C33 C24 C23 130.3(3) 2_755 . ?
C25 C24 C23 120.3 . . ?
C34 C24 C44 95.8(17) 2_755 . ?
C33 C24 C44 106.4(3) 2_755 . ?
C25 C24 C44 119.8 . . ?
C23 C24 C44 108.1 . . ?
C34 C24 C16 82.0(17) 2_755 2_755 ?
C33 C24 C16 116.1(4) 2_755 2_755 ?
C25 C24 C16 129.19(14) . 2_755 ?
C23 C24 C16 94.14(8) . 2_755 ?
C44 C24 C16 14.05(11) . 2_755 ?
C34 C24 C35 24.9(15) 2_755 2_755 ?
C33 C24 C35 114.8(5) 2_755 2_755 ?
C25 C24 C35 104.7(2) . 2_755 ?
C23 C24 C35 15.6(2) . 2_755 ?
C44 C24 C35 119.9(2) . 2_755 ?
C16 C24 C35 105.9(2) 2_755 2_755 ?
C33 C25 C32 133.2(12) 2_755 2_755 ?
C33 C25 C24 61.7(5) 2_755 . ?
C32 C25 C24 139.96(11) 2_755 . ?
C33 C25 C26 58.3(5) 2_755 . ?
C32 C25 C26 85.05(17) 2_755 . ?
C24 C25 C26 120.0 . . ?
C33 C25 C8 145.7(11) 2_755 . ?
C32 C25 C8 23.11(13) 2_755 . ?
C24 C25 C8 120.2 . . ?
C26 C25 C8 107.8 . . ?
C33 C25 C34 65.8(5) 2_755 2_755 ?
C32 C25 C34 131.6(4) 2_755 2_755 ?
C24 C25 C34 8.4(2) . 2_755 ?
C26 C25 C34 123.2(2) . 2_755 ?
C8 C25 C34 112.4(3) . 2_755 ?
C33 C25 C14 24.3(3) 2_755 2_755 ?
C32 C25 C14 115.3(3) 2_755 2_755 ?
C24 C25 C14 86.02(15) . 2_755 ?
C26 C25 C14 34.17(16) . 2_755 ?
C8 C25 C14 135.2(2) . 2_755 ?
C34 C25 C14 90.0(4) 2_755 2_755 ?
C14 C26 C33 77.2(2) 2_755 2_755 ?
C14 C26 C13 74.8(4) 2_755 2_755 ?
C33 C26 C13 143.4(4) 2_755 2_755 ?
C14 C26 C27 30.5(3) 2_755 . ?
C33 C26 C27 107.2(3) 2_755 . ?
C13 C26 C27 45.3(3) 2_755 . ?
C14 C26 C10 144.2(4) 2_755 . ?
C33 C26 C10 118.3(4) 2_755 . ?
C13 C26 C10 75.6(4) 2_755 . ?
C27 C26 C10 120.0 . . ?
C14 C26 C25 90.1(2) 2_755 . ?
C33 C26 C25 12.9(3) 2_755 . ?
C13 C26 C25 152.75(14) 2_755 . ?
C27 C26 C25 120.1 . . ?
C10 C26 C25 108.0 . . ?
C14 C26 C32 125.50(7) 2_755 2_755 ?
C33 C26 C32 52.01(19) 2_755 2_755 ?
C13 C26 C32 135.7(5) 2_755 2_755 ?
C27 C26 C32 148.55(11) . 2_755 ?
C10 C26 C32 67.5(2) . 2_755 ?
C25 C26 C32 40.6(2) . 2_755 ?
C14 C26 C30 124.5(5) 2_755 2_755 ?
C33 C26 C30 134.7(5) 2_755 2_755 ?
C13 C26 C30 53.3(2) 2_755 2_755 ?
C27 C26 C30 97.9(2) . 2_755 ?
C10 C26 C30 22.3(2) . 2_755 ?
C25 C26 C30 126.90(19) . 2_755 ?
C32 C26 C30 87.8(4) 2_755 2_755 ?
C14 C26 C31 148.4(4) 2_755 2_755 ?
C33 C26 C31 96.5(4) 2_755 2_755 ?
C13 C26 C31 95.1(4) 2_755 2_755 ?
C27 C26 C31 136.23(18) . 2_755 ?
C10 C26 C31 22.01(10) . 2_755 ?
C25 C26 C31 85.96(10) . 2_755 ?
C32 C26 C31 45.56(19) 2_755 2_755 ?
C30 C26 C31 42.8(2) 2_755 2_755 ?
C14 C27 C13 102.3(8) 2_755 2_755 ?
C14 C27 C26 41.4(5) 2_755 . ?
C13 C27 C26 62.4(4) 2_755 . ?
C14 C27 C45 79.3(4) 2_755 . ?
C13 C27 C45 154.2(3) 2_755 . ?
C26 C27 C45 120.0 . . ?
C14 C27 C28 150.3(5) 2_755 . ?
C13 C27 C28 58.6(4) 2_755 . ?
C26 C27 C28 119.8 . . ?
C45 C27 C28 108.0 . . ?
C14 C27 C15 70.8(2) 2_755 2_755 ?
C13 C27 C15 150.3(5) 2_755 2_755 ?
C26 C27 C15 111.1(3) . 2_755 ?
C45 C27 C15 9.2(2) . 2_755 ?
C28 C27 C15 113.5(3) . 2_755 ?
C14 C27 C12 143.0(8) 2_755 2_755 ?
C13 C27 C12 51.5(3) 2_755 2_755 ?
C26 C27 C12 111.9(2) . 2_755 ?
C45 C27 C12 112.89(16) . 2_755 ?
C28 C27 C12 8.1(2) . 2_755 ?
C15 C27 C12 117.3(4) 2_755 2_755 ?
C12 C28 C2 96.5(9) 2_755 2_755 ?
C12 C28 C13 101.2(11) 2_755 2_755 ?
C2 C28 C13 143.9(2) 2_755 2_755 ?
C12 C28 C29 24.6(9) 2_755 . ?
C2 C28 C29 119.5(4) 2_755 . ?
C13 C28 C29 77.2(3) 2_755 . ?
C12 C28 C47 96.8(8) 2_755 . ?
C2 C28 C47 1.7(2) 2_755 . ?
C13 C28 C47 145.23(9) 2_755 . ?
C29 C28 C47 120.1 . . ?
C12 C28 C27 142.2(9) 2_755 . ?
C2 C28 C27 107.3(3) 2_755 . ?
C13 C28 C27 43.7(3) 2_755 . ?
C29 C28 C27 120.0 . . ?
C47 C28 C27 107.8 . . ?
C12 C28 C11 8.1(7) 2_755 2_755 ?
C2 C28 C11 101.5(4) 2_755 2_755 ?
C13 C28 C11 93.6(4) 2_755 2_755 ?
C29 C28 C11 18.16(18) . 2_755 ?
C47 C28 C11 102.03(17) . 2_755 ?
C27 C28 C11 134.0(2) . 2_755 ?
C11 C29 C12 113.3(7) 2_755 2_755 ?
C11 C29 C28 123.0(6) 2_755 . ?
C12 C29 C28 9.9(4) 2_755 . ?
C11 C29 C29 81.6(8) 2_755 2_755 ?
C12 C29 C29 152.1(4) 2_755 2_755 ?
C28 C29 C29 144.9(2) . 2_755 ?
C11 C29 C30 6.31(6) 2_755 . ?
C12 C29 C30 110.8(4) 2_755 . ?
C28 C29 C30 120.1 . . ?
C29 C29 C30 81.4(3) 2_755 . ?
C11 C29 C11 109.0(7) 2_755 . ?
C12 C29 C11 128.9(4) 2_755 . ?
C28 C29 C11 119.7 . . ?
C29 C29 C11 27.8(3) 2_755 . ?
C30 C29 C11 108.1 . . ?
C11 C29 C13 157.8 2_755 2_755 ?
C12 C29 C13 58.6(3) 2_755 2_755 ?
C28 C29 C13 48.9(3) . 2_755 ?
C29 C29 C13 98.4(4) 2_755 2_755 ?
C30 C29 C13 151.45(8) . 2_755 ?
C11 C29 C13 71.3(3) . 2_755 ?
C11 C29 C30 129.3(8) 2_755 2_755 ?
C12 C29 C30 106.8(5) 2_755 2_755 ?
C28 C29 C30 97.5(3) . 2_755 ?
C29 C29 C30 49.9(2) 2_755 2_755 ?
C30 C29 C30 127.1(3) . 2_755 ?
C11 C29 C30 22.4(3) . 2_755 ?
C13 C29 C30 48.85(17) 2_755 2_755 ?
C10 C30 C11 152.0(13) 2_755 2_755 ?
C10 C30 C31 29.4(7) 2_755 . ?
C11 C30 C31 122.6(6) 2_755 . ?
C10 C30 C29 149.2(7) 2_755 . ?
C11 C30 C29 5.88(18) 2_755 . ?
C31 C30 C29 120.0 . . ?
C10 C30 C13 95.4(7) 2_755 . ?
C11 C30 C13 108.9(6) 2_755 . ?
C31 C30 C13 120.1 . . ?
C29 C30 C13 108.1 . . ?
C10 C30 C26 49.5(5) 2_755 2_755 ?
C11 C30 C26 151.9(7) 2_755 2_755 ?
C31 C30 C26 75.6(2) . 2_755 ?
C29 C30 C26 148.5(2) . 2_755 ?
C13 C30 C26 46.0(2) . 2_755 ?
C10 C30 C29 152.1(7) 2_755 2_755 ?
C11 C30 C29 49.1(4) 2_755 2_755 ?
C31 C30 C29 153.68(11) . 2_755 ?
C29 C30 C29 48.7(3) . 2_755 ?
C13 C30 C29 59.8(3) . 2_755 ?
C26 C30 C29 104.6(4) 2_755 2_755 ?
C10 C30 C12 121.2(8) 2_755 2_755 ?
C11 C30 C12 31.0(5) 2_755 2_755 ?
C31 C30 C12 91.88(16) . 2_755 ?
C29 C30 C12 28.14(17) . 2_755 ?
C13 C30 C12 130.28(19) . 2_755 ?
C26 C30 C12 149.58(10) 2_755 2_755 ?
C29 C30 C12 74.7(3) 2_755 2_755 ?
C10 C30 C9 31.3(5) 2_755 2_755 ?
C11 C30 C9 120.9(8) 2_755 2_755 ?
C31 C30 C9 4.41(11) . 2_755 ?
C29 C30 C9 117.9(2) . 2_755 ?
C13 C30 C9 119.0(2) . 2_755 ?
C26 C30 C9 75.47(16) 2_755 2_755 ?
C29 C30 C9 149.3(2) 2_755 2_755 ?
C12 C30 C9 90.0(3) 2_755 2_755 ?
C9 C31 C10 156.8(12) 2_755 2_755 ?
C9 C31 C30 166.1(4) 2_755 . ?
C10 C31 C30 24.8(5) 2_755 . ?
C9 C31 C48 54.4(8) 2_755 . ?
C10 C31 C48 144.6(5) 2_755 . ?
C30 C31 C48 120.0 . . ?
C9 C31 C32 57.6(8) 2_755 . ?
C10 C31 C32 99.2(5) 2_755 . ?
C30 C31 C32 120.0 . . ?
C48 C31 C32 108.1 . . ?
C9 C31 C1 49.7(7) 2_755 2_755 ?
C10 C31 C1 147.6(6) 2_755 2_755 ?
C30 C31 C1 123.55(18) . 2_755 ?
C48 C31 C1 5.92(15) . 2_755 ?
C32 C31 C1 102.32(16) . 2_755 ?
C9 C31 C8 41.3(5) 2_755 2_755 ?
C10 C31 C8 115.5(7) 2_755 2_755 ?
C30 C31 C8 134.6(3) . 2_755 ?
C48 C31 C8 91.8(3) . 2_755 ?
C32 C31 C8 16.6(3) . 2_755 ?
C1 C31 C8 86.2(3) 2_755 2_755 ?
C9 C31 C11 152.6(9) 2_755 2_755 ?
C10 C31 C11 44.0(3) 2_755 2_755 ?
C30 C31 C11 19.2(3) . 2_755 ?
C48 C31 C11 100.9(3) . 2_755 ?
C32 C31 C11 134.8(2) . 2_755 ?
C1 C31 C11 104.7(4) 2_755 2_755 ?
C8 C31 C11 146.0(4) 2_755 2_755 ?
C9 C31 C26 117.0(7) 2_755 2_755 ?
C10 C31 C26 39.9(4) 2_755 2_755 ?
C30 C31 C26 61.59(14) . 2_755 ?
C48 C31 C26 153.87(9) . 2_755 ?
C32 C31 C26 59.46(12) . 2_755 ?
C1 C31 C26 149.24(15) 2_755 2_755 ?
C8 C31 C26 75.7(3) 2_755 2_755 ?
C11 C31 C26 79.4(3) 2_755 2_755 ?
C8 C32 C25 108.7(7) 2_755 2_755 ?
C8 C32 C9 94.0(9) 2_755 2_755 ?
C25 C32 C9 154.4(5) 2_755 2_755 ?
C8 C32 C33 115.5(7) 2_755 . ?
C25 C32 C33 10.1(3) 2_755 . ?
C9 C32 C33 144.6(3) 2_755 . ?
C8 C32 C31 119.9(8) 2_755 . ?
C25 C32 C31 129.0(2) 2_755 . ?
C9 C32 C31 26.1(2) 2_755 . ?
C33 C32 C31 120.0 . . ?
C8 C32 C50 16.3(6) 2_755 . ?
C25 C32 C50 115.52(11) 2_755 . ?
C9 C32 C50 83.6(2) 2_755 . ?
C33 C32 C50 119.8 . . ?
C31 C32 C50 108.0 . . ?
C8 C32 C26 160.8(8) 2_755 2_755 ?
C25 C32 C26 54.4(3) 2_755 2_755 ?
C9 C32 C26 101.1(2) 2_755 2_755 ?
C33 C32 C26 46.51(19) . 2_755 ?
C31 C32 C26 75.0(2) . 2_755 ?
C50 C32 C26 155.31(14) . 2_755 ?
C8 C32 C10 146.6(10) 2_755 2_755 ?
C25 C32 C10 101.8(4) 2_755 2_755 ?
C9 C32 C10 53.58(17) 2_755 2_755 ?
C33 C32 C10 93.3(3) . 2_755 ?
C31 C32 C10 27.4(3) . 2_755 ?
C50 C32 C10 132.7(3) . 2_755 ?
C26 C32 C10 47.56(13) 2_755 2_755 ?
C8 C32 C7 17.0(3) 2_755 2_755 ?
C25 C32 C7 101.90(14) 2_755 2_755 ?
C9 C32 C7 96.5(4) 2_755 2_755 ?
C33 C32 C7 106.3(2) . 2_755 ?
C31 C32 C7 119.9(2) . 2_755 ?
C50 C32 C7 13.6(2) . 2_755 ?
C26 C32 C7 146.3(3) 2_755 2_755 ?
C10 C32 C7 142.0(4) 2_755 2_755 ?
C25 C33 C24 104.8(4) 2_755 2_755 ?
C25 C33 C26 108.7(8) 2_755 2_755 ?
C24 C33 C26 146.3(7) 2_755 2_755 ?
C25 C33 C32 36.6(11) 2_755 . ?
C24 C33 C32 127.0(3) 2_755 . ?
C26 C33 C32 81.5(4) 2_755 . ?
C25 C33 C34 101.7(3) 2_755 . ?
C24 C33 C34 8.6(3) 2_755 . ?
C26 C33 C34 147.7(3) 2_755 . ?
C32 C33 C34 120.0 . . ?
C25 C33 C14 150.1(4) 2_755 . ?
C24 C33 C14 105.0(4) 2_755 . ?
C26 C33 C14 41.5(4) 2_755 . ?
C32 C33 C14 120.0 . . ?
C34 C33 C14 108.0 . . ?
C25 C33 C8 28.0(10) 2_755 2_755 ?
C24 C33 C8 109.1(3) 2_755 2_755 ?
C26 C33 C8 99.5(5) 2_755 2_755 ?
C32 C33 C8 18.18(9) . 2_755 ?
C34 C33 C8 102.6 . 2_755 ?
C14 C33 C8 136.24(17) . 2_755 ?
C24 C34 C23 154.5(18) 2_755 2_755 ?
C24 C34 C35 150.8(19) 2_755 . ?
C23 C34 C35 18.2(4) 2_755 . ?
C24 C34 C33 49.4(15) 2_755 . ?
C23 C34 C33 138.6(4) 2_755 . ?
C35 C34 C33 120.3 . . ?
C24 C34 C16 88.1(19) 2_755 . ?
C23 C34 C16 105.8(4) 2_755 . ?
C35 C34 C16 119.8 . . ?
C33 C34 C16 108.1 . . ?
C24 C34 C44 74.5(18) 2_755 2_755 ?
C23 C34 C44 119.3(5) 2_755 2_755 ?
C35 C34 C44 133.58(12) . 2_755 ?
C33 C34 C44 96.77(7) . 2_755 ?
C16 C34 C44 13.78(12) . 2_755 ?
C24 C34 C25 55.0(14) 2_755 2_755 ?
C23 C34 C25 127.8(6) 2_755 2_755 ?
C35 C34 C25 109.8(3) . 2_755 ?
C33 C34 C25 12.4(3) . 2_755 ?
C16 C34 C25 120.5(3) . 2_755 ?
C44 C34 C25 109.2(2) 2_755 2_755 ?
C23 C35 C22 161.63(13) 2_755 2_755 ?
C23 C35 C34 54.57(8) 2_755 . ?
C22 C35 C34 143.79(13) 2_755 . ?
C23 C35 C36 77.0(5) 2_755 . ?
C22 C35 C36 88.5(2) 2_755 . ?
C34 C35 C36 120.0 . . ?
C23 C35 C51 174.64(19) 2_755 . ?
C22 C35 C51 23.62(13) 2_755 . ?
C34 C35 C51 120.2 . . ?
C36 C35 C51 107.8 . . ?
C23 C35 C24 56.7(3) 2_755 2_755 ?
C22 C35 C24 141.5(4) 2_755 2_755 ?
C34 C35 C24 4.3(3) . 2_755 ?
C36 C35 C24 124.1(3) . 2_755 ?
C51 C35 C24 118.0(2) . 2_755 ?
C23 C35 C42 40.2(6) 2_755 2_755 ?
C22 C35 C42 127.4(4) 2_755 2_755 ?
C34 C35 C42 82.55(13) . 2_755 ?
C36 C35 C42 39.10(16) . 2_755 ?
C51 C35 C42 143.6(2) . 2_755 ?
C24 C35 C42 86.3(4) 2_755 2_755 ?
C42 C36 C41 75.0(5) 2_755 2_755 ?
C42 C36 C37 38.0(4) 2_755 . ?
C41 C36 C37 37.6(3) 2_755 . ?
C42 C36 C23 68.4(3) 2_755 2_755 ?
C41 C36 C23 141.6(6) 2_755 2_755 ?
C37 C36 C23 104.3(3) . 2_755 ?
C42 C36 C53 156.4(4) 2_755 . ?
C41 C36 C53 85.3(4) 2_755 . ?
C37 C36 C53 120.0 . . ?
C23 C36 C53 126.6(3) 2_755 . ?
C42 C36 C35 86.3(3) 2_755 . ?
C41 C36 C35 154.6(2) 2_755 . ?
C37 C36 C35 120.0 . . ?
C23 C36 C35 18.7(3) 2_755 . ?
C53 C36 C35 108.0 . . ?
C42 C36 C40 135.7(7) 2_755 2_755 ?
C41 C36 C40 62.0(3) 2_755 2_755 ?
C37 C36 C40 97.8(3) . 2_755 ?
C23 C36 C40 148.1(5) 2_755 2_755 ?
C53 C36 C40 23.3(3) . 2_755 ?
C35 C36 C40 130.0(2) . 2_755 ?
C42 C36 C22 120.2(3) 2_755 2_755 ?
C41 C36 C22 155.7(6) 2_755 2_755 ?
C37 C36 C22 149.40(14) . 2_755 ?
C23 C36 C22 52.52(18) 2_755 2_755 ?
C53 C36 C22 74.8(2) . 2_755 ?
C35 C36 C22 34.1(2) . 2_755 ?
C40 C36 C22 97.8(4) 2_755 2_755 ?
C42 C36 C21 162.0(3) 2_755 2_755 ?
C41 C36 C21 110.1(5) 2_755 2_755 ?
C37 C36 C21 141.6(3) . 2_755 ?
C23 C36 C21 101.8(4) 2_755 2_755 ?
C53 C36 C21 25.31(18) . 2_755 ?
C35 C36 C21 83.10(15) . 2_755 ?
C40 C36 C21 48.6(2) 2_755 2_755 ?
C22 C36 C21 49.5(2) 2_755 2_755 ?
C41 C37 C42 109.7(9) 2_755 2_755 ?
C41 C37 C36 58.5(5) 2_755 . ?
C42 C37 C36 52.4(5) 2_755 . ?
C41 C37 C17 165.6(5) 2_755 . ?
C42 C37 C17 73.4(4) 2_755 . ?
C36 C37 C17 120.0 . . ?
C41 C37 C38 65.8(6) 2_755 . ?
C42 C37 C38 167.6(4) 2_755 . ?
C36 C37 C38 119.8 . . ?
C17 C37 C38 108.0 . . ?
C41 C37 C55 62.0(5) 2_755 2_755 ?
C42 C37 C55 165.9(7) 2_755 2_755 ?
C36 C37 C55 116.3(2) . 2_755 ?
C17 C37 C55 111.8(2) . 2_755 ?
C38 C37 C55 3.9(2) . 2_755 ?
C41 C37 C43 166.1(5) 2_755 2_755 ?
C42 C37 C43 62.4(2) 2_755 2_755 ?
C36 C37 C43 110.7(3) . 2_755 ?
C17 C37 C43 11.1(3) . 2_755 ?
C38 C37 C43 119.2(3) . 2_755 ?
C55 C37 C43 123.0(5) 2_755 2_755 ?
C55 C38 C56 120(3) 2_755 2_755 ?
C55 C38 C41 107(3) 2_755 2_755 ?
C56 C38 C41 133.0(5) 2_755 2_755 ?
C55 C38 C39 29(2) 2_755 . ?
C56 C38 C39 131.3(4) 2_755 . ?
C41 C38 C39 87.5(3) 2_755 . ?
C55 C38 C19 110(3) 2_755 . ?
C56 C38 C19 11.2(4) 2_755 . ?
C41 C38 C19 141.29(16) 2_755 . ?
C39 C38 C19 120.1 . . ?
C55 C38 C37 142(3) 2_755 . ?
C56 C38 C37 98.4(4) 2_755 . ?
C41 C38 C37 34.9(3) 2_755 . ?
C39 C38 C37 120.0 . . ?
C19 C38 C37 107.8 . . ?
C55 C38 C54 25.6(17) 2_755 2_755 ?
C56 C38 C54 115.6(6) 2_755 2_755 ?
C41 C38 C54 102.7(4) 2_755 2_755 ?
C39 C38 C54 16.0(3) . 2_755 ?
C19 C38 C54 104.4(3) . 2_755 ?
C37 C38 C54 133.3(3) . 2_755 ?
C54 C39 C55 106.9(10) 2_755 2_755 ?
C54 C39 C39 106.5(12) 2_755 2_755 ?
C55 C39 C39 139.9(7) 2_755 2_755 ?
C54 C39 C38 108.6(9) 2_755 . ?
C55 C39 C38 4.0(3) 2_755 . ?
C39 C39 C38 136.4(4) 2_755 . ?
C54 C39 C40 15.5(9) 2_755 . ?
C55 C39 C40 119.1(4) 2_755 . ?
C39 C39 C40 91.4(4) 2_755 . ?
C38 C39 C40 120.1 . . ?
C54 C39 C54 123.5(9) 2_755 . ?
C55 C39 C54 123.0(4) 2_755 . ?
C39 C39 C54 17.7(4) 2_755 . ?
C38 C39 C54 119.7 . . ?
C40 C39 C54 108.1 . . ?
C54 C39 C53 11.92(11) 2_755 2_755 ?
C55 C39 C53 103.9(4) 2_755 2_755 ?
C39 C39 C53 104.1(5) 2_755 2_755 ?
C38 C39 C53 104.9(2) . 2_755 ?
C40 C39 C53 15.2(2) . 2_755 ?
C54 C39 C53 119.7(2) . 2_755 ?
C54 C39 C41 150.8(7) 2_755 2_755 ?
C55 C39 C41 48.8(3) 2_755 2_755 ?
C39 C39 C41 92.2(5) 2_755 2_755 ?
C38 C39 C41 46.0(2) . 2_755 ?
C40 C39 C41 153.42(9) . 2_755 ?
C54 C39 C41 74.7(2) . 2_755 ?
C53 C39 C41 141.85(18) 2_755 2_755 ?
C54 C39 C40 149.6(10) 2_755 2_755 ?
C55 C39 C40 93.4(5) 2_755 2_755 ?
C39 C39 C40 47.6(3) 2_755 2_755 ?
C38 C39 C40 90.4(2) . 2_755 ?
C40 C39 C40 134.4(2) . 2_755 ?
C54 C39 C40 29.9(3) . 2_755 ?
C53 C39 C40 141.3(3) 2_755 2_755 ?
C41 C39 C40 44.8(2) 2_755 2_755 ?
C53 C40 C54 122.5(11) 2_755 2_755 ?
C53 C40 C21 7.8(9) 2_755 . ?
C54 C40 C21 114.7(4) 2_755 . ?
C53 C40 C39 127.7(9) 2_755 . ?
C54 C40 C39 7.3(4) 2_755 . ?
C21 C40 C39 120.0 . . ?
C53 C40 C41 113.5(7) 2_755 . ?
C54 C40 C41 115.3(4) 2_755 . ?
C21 C40 C41 120.1 . . ?
C39 C40 C41 108.1 . . ?
C53 C40 C36 66.9(7) 2_755 2_755 ?
C54 C40 C36 152.1(5) 2_755 2_755 ?
C21 C40 C36 73.8(3) . 2_755 ?
C39 C40 C36 145.9(2) . 2_755 ?
C41 C40 C36 46.8(3) . 2_755 ?
C53 C40 C39 153.9(6) 2_755 2_755 ?
C54 C40 C39 48.1(4) 2_755 2_755 ?
C21 C40 C39 149.55(16) . 2_755 ?
C39 C40 C39 41.0(3) . 2_755 ?
C41 C40 C39 67.2(3) . 2_755 ?
C36 C40 C39 110.7(4) 2_755 2_755 ?
C53 C40 C52 17.5(6) 2_755 2_755 ?
C54 C40 C52 105.4(5) 2_755 2_755 ?
C21 C40 C52 10.2(3) . 2_755 ?
C39 C40 C52 110.3(3) . 2_755 ?
C41 C40 C52 124.7(2) . 2_755 ?
C36 C40 C52 80.1(2) 2_755 2_755 ?
C39 C40 C52 140.0(4) 2_755 2_755 ?
C37 C41 C36 83.8(4) 2_755 2_755 ?
C37 C41 C38 79.2(5) 2_755 2_755 ?
C36 C41 C38 150.7(2) 2_755 2_755 ?
C37 C41 C42 35.2(5) 2_755 . ?
C36 C41 C42 49.5(3) 2_755 . ?
C38 C41 C42 113.6(2) 2_755 . ?
C37 C41 C55 86.0(5) 2_755 . ?
C36 C41 C55 154.1(2) 2_755 . ?
C38 C41 C55 6.8(3) 2_755 . ?
C42 C41 C55 120.3 . . ?
C37 C41 C40 148.3(3) 2_755 . ?
C36 C41 C40 71.1(4) 2_755 . ?
C38 C41 C40 113.9(3) 2_755 . ?
C42 C41 C40 119.8 . . ?
C55 C41 C40 108.1 . . ?
C37 C41 C53 132.1(4) 2_755 2_755 ?
C36 C41 C53 52.8(3) 2_755 2_755 ?
C38 C41 C53 128.1(6) 2_755 2_755 ?
C42 C41 C53 101.4(2) . 2_755 ?
C55 C41 C53 123.2(3) . 2_755 ?
C40 C41 C53 18.4(2) . 2_755 ?
C37 C41 C39 122.7(7) 2_755 2_755 ?
C36 C41 C39 133.2(5) 2_755 2_755 ?
C38 C41 C39 46.5(3) 2_755 2_755 ?
C42 C41 C39 149.45(10) . 2_755 ?
C55 C41 C39 40.2(2) . 2_755 ?
C40 C41 C39 68.0(2) . 2_755 ?
C53 C41 C39 84.4(4) 2_755 2_755 ?
C37 C42 C36 89.7(6) 2_755 2_755 ?
C37 C42 C41 35.1(4) 2_755 . ?
C36 C42 C41 55.5(3) 2_755 . ?
C37 C42 C23 148.4(5) 2_755 . ?
C36 C42 C23 65.6(3) 2_755 . ?
C41 C42 C23 120.0 . . ?
C37 C42 C43 85.9(4) 2_755 . ?
C36 C42 C43 154.7(3) 2_755 . ?
C41 C42 C43 120.2 . . ?
C23 C42 C43 107.8 . . ?
C37 C42 C17 72.3(5) 2_755 2_755 ?
C36 C42 C17 147.7(6) 2_755 2_755 ?
C41 C42 C17 106.4(2) . 2_755 ?
C23 C42 C17 118.35(15) . 2_755 ?
C43 C42 C17 13.8(2) . 2_755 ?
C37 C42 C35 136.9(7) 2_755 2_755 ?
C36 C42 C35 54.6(3) 2_755 2_755 ?
C41 C42 C35 108.3(2) . 2_755 ?
C23 C42 C35 12.0(2) . 2_755 ?
C43 C42 C35 115.40(12) . 2_755 ?
C17 C42 C35 124.05(6) 2_755 2_755 ?
C37 C42 C16 113.7(5) 2_755 2_755 ?
C36 C42 C16 132.1(3) 2_755 2_755 ?
C41 C42 C16 141.4(2) . 2_755 ?
C23 C42 C16 74.9(2) . 2_755 ?
C43 C42 C16 32.9(2) . 2_755 ?
C17 C42 C16 44.17(9) 2_755 2_755 ?
C35 C42 C16 82.69(10) 2_755 2_755 ?
C17 C43 C16 139.1(10) 2_755 2_755 ?
C17 C43 C57 35.4(10) 2_755 . ?
C16 C43 C57 124.2(3) 2_755 . ?
C17 C43 C44 140.4(7) 2_755 . ?
C16 C43 C44 7.6(4) 2_755 . ?
C57 C43 C44 120.1 . . ?
C17 C43 C42 84.4(10) 2_755 . ?
C16 C43 C42 100.9(4) 2_755 . ?
C57 C43 C42 119.7 . . ?
C44 C43 C42 108.1 . . ?
C17 C43 C37 53.3(8) 2_755 2_755 ?
C16 C43 C37 126.7(6) 2_755 2_755 ?
C57 C43 C37 88.4(3) . 2_755 ?
C44 C43 C37 134.4(2) . 2_755 ?
C42 C43 C37 31.6(3) . 2_755 ?
C17 C43 C18 35.6(9) 2_755 2_755 ?
C16 C43 C18 119.4(4) 2_755 2_755 ?
C57 C43 C18 6.21(16) . 2_755 ?
C44 C43 C18 115.9 . 2_755 ?
C42 C43 C18 119.52(15) . 2_755 ?
C37 C43 C18 88.8(3) 2_755 2_755 ?
C16 C44 C15 129.3(14) 2_755 2_755 ?
C16 C44 C45 130.8(11) 2_755 . ?
C15 C44 C45 5.0(3) 2_755 . ?
C16 C44 C43 24.1(12) 2_755 . ?
C15 C44 C43 120.8(3) 2_755 . ?
C45 C44 C43 120.0 . . ?
C16 C44 C24 85.1(12) 2_755 . ?
C15 C44 C24 116.2(3) 2_755 . ?
C45 C44 C24 120.1 . . ?
C43 C44 C24 108.1 . . ?
C16 C44 C34 75.7(12) 2_755 2_755 ?
C15 C44 C34 120.9(4) 2_755 2_755 ?
C45 C44 C34 125.31(13) . 2_755 ?
C43 C44 C34 98.86(8) . 2_755 ?
C24 C44 C34 9.63(13) . 2_755 ?
C16 C44 C17 24.5(10) 2_755 2_755 ?
C15 C44 C17 114.4(5) 2_755 2_755 ?
C45 C44 C17 114.0(2) . 2_755 ?
C43 C44 C17 7.6(2) . 2_755 ?
C24 C44 C17 109.7(2) . 2_755 ?
C34 C44 C17 100.2(2) 2_755 2_755 ?
C15 C45 C3 122.1(16) 2_755 2_755 ?
C15 C45 C44 24.0(14) 2_755 . ?
C3 C45 C44 123.2 2_755 . ?
C15 C45 C46 121.4(14) 2_755 . ?
C3 C45 C46 5.6(2) 2_755 . ?
C44 C45 C46 120.0 . . ?
C15 C45 C27 100.3(12) 2_755 . ?
C3 C45 C27 102.71(19) 2_755 . ?
C44 C45 C27 120.0 . . ?
C46 C45 C27 108.1 . . ?
C15 C45 C14 73.4(13) 2_755 2_755 ?
C3 C45 C14 126.8(5) 2_755 2_755 ?
C44 C45 C14 91.09(15) . 2_755 ?
C46 C45 C14 132.3(2) . 2_755 ?
C27 C45 C14 29.11(17) . 2_755 ?
C15 C45 C16 23.1(10) 2_755 2_755 ?
C3 C45 C16 114.3(2) 2_755 2_755 ?
C44 C45 C16 9.5(2) . 2_755 ?
C46 C45 C16 111.4(2) . 2_755 ?
C27 C45 C16 123.1(2) . 2_755 ?
C14 C45 C16 95.2(4) 2_755 2_755 ?
C3 C46 C4 134.9(10) 2_755 2_755 ?
C3 C46 C58 133.5(6) 2_755 . ?
C4 C46 C58 7.8(3) 2_755 . ?
C3 C46 C45 29.1(16) 2_755 . ?
C4 C46 C45 125.3(3) 2_755 . ?
C58 C46 C45 119.9 . . ?
C3 C46 C47 80.1(14) 2_755 . ?
C4 C46 C47 112.2(3) 2_755 . ?
C58 C46 C47 120.0 . . ?
C45 C46 C47 108.1 . . ?
C3 C46 C2 74.4(13) 2_755 2_755 ?
C4 C46 C2 115.7(6) 2_755 2_755 ?
C58 C46 C2 123.4(2) . 2_755 ?
C45 C46 C2 102.6(2) . 2_755 ?
C47 C46 C2 5.7(2) . 2_755 ?
C3 C46 C15 31.1(13) 2_755 2_755 ?
C4 C46 C15 118.2(3) 2_755 2_755 ?
C58 C46 C15 113.1 . 2_755 ?
C45 C46 C15 7.64(11) . 2_755 ?
C47 C46 C15 111.15(15) . 2_755 ?
C2 C46 C15 105.5(3) 2_755 2_755 ?
C2 C47 C48 114(3) 2_755 . ?
C2 C47 C1 124(3) 2_755 2_755 ?
C48 C47 C1 13.1(3) . 2_755 ?
C2 C47 C28 14.5(14) 2_755 . ?
C48 C47 C28 119.9 . . ?
C1 C47 C28 131.4(3) 2_755 . ?
C2 C47 C3 93(2) 2_755 2_755 ?
C48 C47 C3 126.5(2) . 2_755 ?
C1 C47 C3 114.4(3) 2_755 2_755 ?
C28 C47 C3 98.5(2) . 2_755 ?
C2 C47 C46 103(2) 2_755 . ?
C48 C47 C46 120.0 . . ?
C1 C47 C46 107.4(3) 2_755 . ?
C28 C47 C46 107.9 . . ?
C3 C47 C46 9.6(3) 2_755 . ?
C2 C47 C12 19.0(17) 2_755 2_755 ?
C48 C47 C12 104.4(3) . 2_755 ?
C1 C47 C12 116.3(5) 2_755 2_755 ?
C28 C47 C12 15.6(3) . 2_755 ?
C3 C47 C12 111.8(4) 2_755 2_755 ?
C46 C47 C12 121.4(2) . 2_755 ?
C1 C48 C9 122.6(11) 2_755 2_755 ?
C1 C48 C47 84.0(10) 2_755 . ?
C9 C48 C47 144.7(3) 2_755 . ?
C1 C48 C2 88.2(11) 2_755 2_755 ?
C9 C48 C2 139.1(5) 2_755 2_755 ?
C47 C48 C2 5.7(3) . 2_755 ?
C1 C48 C31 145.4(10) 2_755 . ?
C9 C48 C31 26.17(19) 2_755 . ?
C47 C48 C31 119.9 . . ?
C2 C48 C31 114.4(3) 2_755 . ?
C1 C48 C49 38.8(10) 2_755 . ?
C9 C48 C49 83.78(11) 2_755 . ?
C47 C48 C49 120.0 . . ?
C2 C48 C49 122.96(11) 2_755 . ?
C31 C48 C49 108.1 . . ?
C1 C48 C5 12.5(8) 2_755 2_755 ?
C9 C48 C5 111.6(3) 2_755 2_755 ?
C47 C48 C5 91.2(3) . 2_755 ?
C2 C48 C5 94.7(4) 2_755 2_755 ?
C31 C48 C5 133.2(2) . 2_755 ?
C49 C48 C5 29.2(3) . 2_755 ?
C5 C49 C6 79.2(2) 2_755 2_755 ?
C5 C49 C1 84.3(4) 2_755 2_755 ?
C6 C49 C1 154.9(5) 2_755 2_755 ?
C5 C49 C59 28.88(17) 2_755 . ?
C6 C49 C59 50.3(4) 2_755 . ?
C1 C49 C59 111.9(3) 2_755 . ?
C5 C49 C50 146.2(2) 2_755 . ?
C6 C49 C50 71.4(4) 2_755 . ?
C1 C49 C50 116.6(3) 2_755 . ?
C59 C49 C50 119.9 . . ?
C5 C49 C48 93.0(2) 2_755 . ?
C6 C49 C48 157.6(3) 2_755 . ?
C1 C49 C48 8.9(3) 2_755 . ?
C59 C49 C48 120.0 . . ?
C50 C49 C48 107.9 . . ?
C5 C49 C7 129.83(16) 2_755 2_755 ?
C6 C49 C7 53.1(3) 2_755 2_755 ?
C1 C49 C7 133.0(4) 2_755 2_755 ?
C59 C49 C7 102.11(14) . 2_755 ?
C50 C49 C7 18.35(14) . 2_755 ?
C48 C49 C7 124.72(17) . 2_755 ?
C5 C49 C9 131.8(4) 2_755 2_755 ?
C6 C49 C9 135.6(6) 2_755 2_755 ?
C1 C49 C9 50.1(2) 2_755 2_755 ?
C59 C49 C9 151.67(18) . 2_755 ?
C50 C49 C9 67.3(2) . 2_755 ?
C48 C49 C9 41.2(2) . 2_755 ?
C7 C49 C9 85.0(4) 2_755 2_755 ?
C5 C49 C8 156.2(5) 2_755 2_755 ?
C6 C49 C8 94.7(4) 2_755 2_755 ?
C1 C49 C8 92.8(3) 2_755 2_755 ?
C59 C49 C8 139.75(9) . 2_755 ?
C50 C49 C8 24.14(6) . 2_755 ?
C48 C49 C8 84.02(7) . 2_755 ?
C7 C49 C8 42.15(19) 2_755 2_755 ?
C9 C49 C8 43.2(2) 2_755 2_755 ?
C7 C50 C8 127.8(12) 2_755 2_755 ?
C7 C50 C51 14.6(6) 2_755 . ?
C8 C50 C51 117.4(4) 2_755 . ?
C7 C50 C49 114.7(8) 2_755 . ?
C8 C50 C49 115.7(4) 2_755 . ?
C51 C50 C49 120.1 . . ?
C7 C50 C32 132.3(8) 2_755 . ?
C8 C50 C32 10.7(4) 2_755 . ?
C51 C50 C32 120.0 . . ?
C49 C50 C32 107.8 . . ?
C7 C50 C6 66.5(6) 2_755 2_755 ?
C8 C50 C6 159.3(6) 2_755 2_755 ?
C51 C50 C6 73.04(18) . 2_755 ?
C49 C50 C6 48.20(18) . 2_755 ?
C32 C50 C6 148.7(2) . 2_755 ?
C7 C50 C9 166.0(7) 2_755 2_755 ?
C8 C50 C9 49.93(17) 2_755 2_755 ?
C51 C50 C9 152.1(2) . 2_755 ?
C49 C50 C9 65.8(3) . 2_755 ?
C32 C50 C9 42.6(3) . 2_755 ?
C6 C50 C9 112.2(4) 2_755 2_755 ?
C7 C50 C22 22.8(5) 2_755 2_755 ?
C8 C50 C22 108.6(6) 2_755 2_755 ?
C51 C50 C22 9.0(2) . 2_755 ?
C49 C50 C22 126.5(2) . 2_755 ?
C32 C50 C22 111.0(2) . 2_755 ?
C6 C50 C22 80.75(9) 2_755 2_755 ?
C9 C50 C22 145.1(4) 2_755 2_755 ?
C22 C51 C7 162.0(10) 2_755 2_755 ?
C22 C51 C50 153.1(5) 2_755 . ?
C7 C51 C50 11.3(4) 2_755 . ?
C22 C51 C52 81.0(5) 2_755 . ?
C7 C51 C52 116.1(6) 2_755 . ?
C50 C51 C52 120.1 . . ?
C22 C51 C35 33.3(5) 2_755 . ?
C7 C51 C35 129.3(5) 2_755 . ?
C50 C51 C35 119.7 . . ?
C52 C51 C35 108.1 . . ?
C22 C51 C21 57.2(3) 2_755 2_755 ?
C7 C51 C21 139.2(8) 2_755 2_755 ?
C50 C51 C21 140.9(3) . 2_755 ?
C52 C51 C21 24.0(3) . 2_755 ?
C35 C51 C21 84.6(3) . 2_755 ?
C22 C51 C6 142.9(7) 2_755 2_755 ?
C7 C51 C6 53.5(5) 2_755 2_755 ?
C50 C51 C6 58.38(7) . 2_755 ?
C52 C51 C6 62.62(10) . 2_755 ?
C35 C51 C6 153.50(19) . 2_755 ?
C21 C51 C6 85.9(4) 2_755 2_755 ?
C22 C51 C23 34.6(4) 2_755 2_755 ?
C7 C51 C23 128.0(5) 2_755 2_755 ?
C50 C51 C23 118.5 . 2_755 ?
C52 C51 C23 109.28(13) . 2_755 ?
C35 C51 C23 1.29(5) . 2_755 ?
C21 C51 C23 85.8(3) 2_755 2_755 ?
C6 C51 C23 153.4(4) 2_755 2_755 ?
C22 C51 C8 129.1(7) 2_755 2_755 ?
C7 C51 C8 33.4(3) 2_755 2_755 ?
C50 C51 C8 24.2(3) . 2_755 ?
C52 C51 C8 139.9(2) . 2_755 ?
C35 C51 C8 95.9(3) . 2_755 ?
C21 C51 C8 152.5(4) 2_755 2_755 ?
C6 C51 C8 81.4(2) 2_755 2_755 ?
C23 C51 C8 94.7(3) 2_755 2_755 ?
C21 C52 C20 123.2(8) 2_755 2_755 ?
C21 C52 C60 131.4(7) 2_755 . ?
C20 C52 C60 9.79(9) 2_755 . ?
C21 C52 C51 102.1(6) 2_755 . ?
C20 C52 C51 129.76(10) 2_755 . ?
C60 C52 C51 120.0 . . ?
C21 C52 C53 12.9(7) 2_755 . ?
C20 C52 C53 112.8(3) 2_755 . ?
C60 C52 C53 120.1 . . ?
C51 C52 C53 108.1 . . ?
C21 C52 C22 74.5(7) 2_755 2_755 ?
C20 C52 C22 155.21(13) 2_755 2_755 ?
C60 C52 C22 145.76(12) . 2_755 ?
C51 C52 C22 27.80(17) . 2_755 ?
C53 C52 C22 81.7(2) . 2_755 ?
C21 C52 C6 163.1(6) 2_755 2_755 ?
C20 C52 C6 61.5(3) 2_755 2_755 ?
C60 C52 C6 52.0(3) . 2_755 ?
C51 C52 C6 68.9(3) . 2_755 ?
C53 C52 C6 154.53(19) . 2_755 ?
C22 C52 C6 96.50(15) 2_755 2_755 ?
C21 C52 C7 123.5(7) 2_755 2_755 ?
C20 C52 C7 108.0(2) 2_755 2_755 ?
C60 C52 C7 98.3(2) . 2_755 ?
C51 C52 C7 22.1(3) . 2_755 ?
C53 C52 C7 127.6(2) . 2_755 ?
C22 C52 C7 49.81(13) 2_755 2_755 ?
C6 C52 C7 46.84(5) 2_755 2_755 ?
C21 C52 C40 20.0(4) 2_755 2_755 ?
C20 C52 C40 105.7(5) 2_755 2_755 ?
C60 C52 C40 112.9(3) . 2_755 ?
C51 C52 C40 113.1(2) . 2_755 ?
C53 C52 C40 7.3(3) . 2_755 ?
C22 C52 C40 87.6(4) 2_755 2_755 ?
C6 C52 C40 149.8(4) 2_755 2_755 ?
C7 C52 C40 131.3(4) 2_755 2_755 ?
C40 C53 C21 166.0(15) 2_755 2_755 ?
C40 C53 C54 35.8(8) 2_755 . ?
C21 C53 C54 130.2(6) 2_755 . ?
C40 C53 C36 89.8(7) 2_755 . ?
C21 C53 C36 102.6(6) 2_755 . ?
C54 C53 C36 120.3 . . ?
C40 C53 C52 155.2(8) 2_755 . ?
C21 C53 C52 11.9(6) 2_755 . ?
C54 C53 C52 119.8 . . ?
C36 C53 C52 108.1 . . ?
C40 C53 C41 48.1(6) 2_755 2_755 ?
C21 C53 C41 143.3(6) 2_755 2_755 ?
C54 C53 C41 79.6(3) . 2_755 ?
C36 C53 C41 41.9(2) . 2_755 ?
C52 C53 C41 145.04(8) . 2_755 ?
C40 C53 C39 37.1(7) 2_755 2_755 ?
C21 C53 C39 129.1(8) 2_755 2_755 ?
C54 C53 C39 3.89(9) . 2_755 ?
C36 C53 C39 119.0(2) . 2_755 ?
C52 C53 C39 118.3(2) . 2_755 ?
C41 C53 C39 79.0(3) 2_755 2_755 ?
C40 C53 C22 147.6(8) 2_755 2_755 ?
C21 C53 C22 43.7(4) 2_755 2_755 ?
C54 C53 C22 154.91(16) . 2_755 ?
C36 C53 C22 59.0(2) . 2_755 ?
C52 C53 C22 49.6(2) . 2_755 ?
C41 C53 C22 99.9(3) 2_755 2_755 ?
C39 C53 C22 151.1(3) 2_755 2_755 ?
C40 C53 C20 130.5(10) 2_755 2_755 ?
C21 C53 C20 35.6(4) 2_755 2_755 ?
C54 C53 C20 94.7(2) . 2_755 ?
C36 C53 C20 129.16(14) . 2_755 ?
C52 C53 C20 25.2(2) . 2_755 ?
C41 C53 C20 151.5(3) 2_755 2_755 ?
C39 C53 C20 93.5(4) 2_755 2_755 ?
C22 C53 C20 73.59(15) 2_755 2_755 ?
C39 C54 C40 157.2(13) 2_755 2_755 ?
C39 C54 C53 164.19(18) 2_755 . ?
C40 C54 C53 21.7(4) 2_755 . ?
C39 C54 C55 55.1(9) 2_755 . ?
C40 C54 C55 141.6(3) 2_755 . ?
C53 C54 C55 120.0 . . ?
C39 C54 C39 55.8(10) 2_755 . ?
C40 C54 C39 101.9(4) 2_755 . ?
C53 C54 C39 120.2 . . ?
C55 C54 C39 107.8 . . ?
C39 C54 C38 55.4(8) 2_755 2_755 ?
C40 C54 C38 140.2(4) 2_755 2_755 ?
C53 C54 C38 118.9(2) . 2_755 ?
C55 C54 C38 3.06(9) . 2_755 ?
C39 C54 C38 106.9(3) . 2_755 ?
C39 C54 C54 43.8(8) 2_755 2_755 ?
C40 C54 C54 113.6(6) 2_755 2_755 ?
C53 C54 C54 130.2(3) . 2_755 ?
C55 C54 C54 95.1(3) . 2_755 ?
C39 C54 C54 12.7(3) . 2_755 ?
C38 C54 C54 94.3(4) 2_755 2_755 ?
C39 C54 C21 153.9(7) 2_755 2_755 ?
C40 C54 C21 39.0(3) 2_755 2_755 ?
C53 C54 C21 17.3(2) . 2_755 ?
C55 C54 C21 102.9(2) . 2_755 ?
C39 C54 C21 133.7(2) . 2_755 ?
C38 C54 C21 101.9(3) 2_755 2_755 ?
C54 C54 C21 141.2(3) 2_755 2_755 ?
C38 C55 C39 147(2) 2_755 2_755 ?
C38 C55 C56 54(2) 2_755 . ?
C39 C55 C56 137.0(4) 2_755 . ?
C38 C55 C41 66(2) 2_755 . ?
C39 C55 C41 91.0(4) 2_755 . ?
C56 C55 C41 120.0 . . ?
C38 C55 C54 151.3(18) 2_755 . ?
C39 C55 C54 18.0(4) 2_755 . ?
C56 C55 C54 120.0 . . ?
C41 C55 C54 108.0 . . ?
C38 C55 C19 64(2) 2_755 2_755 ?
C39 C55 C19 126.2(6) 2_755 2_755 ?
C56 C55 C19 11.1(3) . 2_755 ?
C41 C55 C19 128.8(3) . 2_755 ?
C54 C55 C19 109.0(3) . 2_755 ?
C38 C55 C37 34(2) 2_755 2_755 ?
C39 C55 C37 120.1(5) 2_755 2_755 ?
C56 C55 C37 88.3(2) . 2_755 ?
C41 C55 C37 32.0(2) . 2_755 ?
C54 C55 C37 134.6(3) . 2_755 ?
C19 C55 C37 97.7(3) 2_755 2_755 ?
C19 C56 C38 111.1(13) 2_755 2_755 ?
C19 C56 C18 109.0(4) 2_755 2_755 ?
C38 C56 C18 125.3(6) 2_755 2_755 ?
C19 C56 C55 105.5(10) 2_755 . ?
C38 C56 C55 6.3(4) 2_755 . ?
C18 C56 C55 131.3(3) 2_755 . ?
C19 C56 C60 15.7(7) 2_755 . ?
C38 C56 C60 125.2(4) 2_755 . ?
C18 C56 C60 93.8(3) 2_755 . ?
C55 C56 C60 120.0 . . ?
C19 C56 C57 123.2(5) 2_755 . ?
C38 C56 C57 113.5(3) 2_755 . ?
C18 C56 C57 14.3(3) 2_755 . ?
C55 C56 C57 119.8 . . ?
C60 C56 C57 108.0 . . ?
C19 C56 C20 3.2(10) 2_755 2_755 ?
C38 C56 C20 109.1(5) 2_755 2_755 ?
C18 C56 C20 109.0(3) 2_755 2_755 ?
C55 C56 C20 103.69(19) . 2_755 ?
C60 C56 C20 16.69(17) . 2_755 ?
C57 C56 C20 123.02(9) . 2_755 ?
C18 C57 C17 148.1(11) 2_755 2_755 ?
C18 C57 C43 150.1(7) 2_755 . ?
C17 C57 C43 10.5(2) 2_755 . ?
C18 C57 C58 43.9(4) 2_755 . ?
C17 C57 C58 127.4 2_755 . ?
C43 C57 C58 120.1 . . ?
C18 C57 C56 64.0(5) 2_755 . ?
C17 C57 C56 109.5(2) 2_755 . ?
C43 C57 C56 120.0 . . ?
C58 C57 C56 107.8 . . ?
C18 C57 C4 43.1(2) 2_755 2_755 ?
C17 C57 C4 125.2(2) 2_755 2_755 ?
C43 C57 C4 118.5(2) . 2_755 ?
C58 C57 C4 4.4(2) . 2_755 ?
C56 C57 C4 106.4(3) . 2_755 ?
C18 C57 C19 55.4(6) 2_755 2_755 ?
C17 C57 C19 115.8(4) 2_755 2_755 ?
C43 C57 C19 126.3(2) . 2_755 ?
C58 C57 C19 99.1(2) . 2_755 ?
C56 C57 C19 8.72(19) . 2_755 ?
C4 C57 C19 97.7(4) 2_755 2_755 ?
C4 C58 C18 138.8(17) 2_755 2_755 ?
C4 C58 C46 55.2(19) 2_755 . ?
C18 C58 C46 130.1(3) 2_755 . ?
C4 C58 C57 143.2(15) 2_755 . ?
C18 C58 C57 12.4(4) 2_755 . ?
C46 C58 C57 119.9 . . ?
C4 C58 C59 64.9(19) 2_755 . ?
C18 C58 C59 95.6(4) 2_755 . ?
C46 C58 C59 120.0 . . ?
C57 C58 C59 107.9 . . ?
C4 C58 C3 57.0(17) 2_755 2_755 ?
C18 C58 C3 124.0(5) 2_755 2_755 ?
C46 C58 C3 6.7(2) . 2_755 ?
C57 C58 C3 114.2(2) . 2_755 ?
C59 C58 C3 121.6(3) . 2_755 ?
C4 C58 C5 39.0(19) 2_755 2_755 ?
C18 C58 C5 119.8(5) 2_755 2_755 ?
C46 C58 C5 93.63(8) . 2_755 ?
C57 C58 C5 131.63(13) . 2_755 ?
C59 C58 C5 26.92(8) . 2_755 ?
C3 C58 C5 96.0(2) 2_755 2_755 ?
C5 C59 C6 92.6(8) 2_755 2_755 ?
C5 C59 C49 33.8(7) 2_755 . ?
C6 C59 C49 58.88(10) 2_755 . ?
C5 C59 C4 80.8(5) 2_755 2_755 ?
C6 C59 C4 156.3(5) 2_755 2_755 ?
C49 C59 C4 112.33(13) . 2_755 ?
C5 C59 C60 150.2(6) 2_755 . ?
C6 C59 C60 63.17(12) 2_755 . ?
C49 C59 C60 119.9 . . ?
C4 C59 C60 113.99(13) 2_755 . ?
C5 C59 C58 88.3(6) 2_755 . ?
C6 C59 C58 158.9(3) 2_755 . ?
C49 C59 C58 120.0 . . ?
C4 C59 C58 7.65(13) 2_755 . ?
C60 C59 C58 108.1 . . ?
C5 C59 C20 140.6(8) 2_755 2_755 ?
C6 C59 C20 53.36(18) 2_755 2_755 ?
C49 C59 C20 109.6(2) . 2_755 ?
C4 C59 C20 121.4(4) 2_755 2_755 ?
C60 C59 C20 10.3(2) . 2_755 ?
C58 C59 C20 116.2(3) . 2_755 ?
C5 C59 C18 121.5(7) 2_755 2_755 ?
C6 C59 C18 130.5(3) 2_755 2_755 ?
C49 C59 C18 144.92(13) . 2_755 ?
C4 C59 C18 43.0(2) 2_755 2_755 ?
C60 C59 C18 71.34(11) . 2_755 ?
C58 C59 C18 36.79(11) . 2_755 ?
C20 C59 C18 79.70(18) 2_755 2_755 ?
C20 C60 C19 101.9(7) 2_755 2_755 ?
C20 C60 C6 93.2(9) 2_755 2_755 ?
C19 C60 C6 151.9(4) 2_755 2_755 ?
C20 C60 C52 18.5(6) 2_755 . ?
C19 C60 C52 116.3(3) 2_755 . ?
C6 C60 C52 75.2(3) 2_755 . ?
C20 C60 C59 138.5(6) 2_755 . ?
C19 C60 C59 111.9(2) 2_755 . ?
C6 C60 C59 46.4(3) 2_755 . ?
C52 C60 C59 120.0 . . ?
C20 C60 C56 105.8(7) 2_755 . ?
C19 C60 C56 4.0(3) 2_755 . ?
C6 C60 C56 149.1(2) 2_755 . ?
C52 C60 C56 120.0 . . ?
C59 C60 C56 108.1 . . ?
C20 C60 C21 10.6(4) 2_755 2_755 ?
C19 C60 C21 100.3(3) 2_755 2_755 ?
C6 C60 C21 90.2(4) 2_755 2_755 ?
C52 C60 C21 16.06(19) . 2_755 ?
C59 C60 C21 132.78(11) . 2_755 ?
C56 C60 C21 104.0(2) . 2_755 ?

_refine_diff_density_max         0.639
_refine_diff_density_min         -2.009
_refine_diff_density_rms         0.116


_exptl_crystal_recrystallization_method 
'Diffision of hexane into o-dichlorobenzene solution'
_chemical_properties_physical    
'Air-sensitive, Moisture-sensitive, Oxygen-sensitive'
_exptl_crystal_preparation       'Magnetic properties'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_codppe14
_database_code_depnum_ccdc_archive 'CCDC 1437135'
_audit_update_record             
;
2015-11-16 deposited with the CCDC.
2016-02-19 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        
'Cobalt-bis(diphenylphosphino)ethane)chloride C70 fullerene '
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'Co(dppe)2Cl C70 C6H4Cl2'
_chemical_formula_sum            'C125 H50 Cl2 Co P4'
_chemical_formula_weight         1805.36

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'
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'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

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

_cell_length_a                   10.8104(3)
_cell_length_b                   39.8917(10)
_cell_length_c                   18.2142(5)
_cell_angle_alpha                90
_cell_angle_beta                 100.133(2)
_cell_angle_gamma                90
_cell_volume                     7732.3(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    34000
_cell_measurement_theta_min      2
_cell_measurement_theta_max      27

_exptl_crystal_description       plate
_exptl_crystal_colour            black
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.551
_exptl_crystal_F_000             3684
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.280
_exptl_crystal_size_mid          0.230
_exptl_crystal_size_min          0.120
_exptl_absorpt_coefficient_mu    0.438
_shelx_estimated_absorpt_T_min   0.887
_shelx_estimated_absorpt_T_max   0.949
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  IPDS(Stoe)
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            47143
_diffrn_reflns_av_unetI/netI     0.0679
_diffrn_reflns_av_R_equivalents  0.0574
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -50
_diffrn_reflns_limit_k_max       50
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         2.272
_diffrn_reflns_theta_max         26.749
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.964
_diffrn_measured_fraction_theta_full 0.972
_diffrn_reflns_Laue_measured_fraction_max 0.964
_diffrn_reflns_Laue_measured_fraction_full 0.972
_diffrn_reflns_point_group_measured_fraction_max 0.964
_diffrn_reflns_point_group_measured_fraction_full 0.972
_reflns_number_total             15869
_reflns_number_gt                10991
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       X-Area(Stoe)
_computing_cell_refinement       X-Area(Stoe)
_computing_data_reduction        X-Area(Stoe)
_computing_structure_solution    SHELXS
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          
'Disorder of a C70 molecule over three orientations'
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0800P)²+30.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_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         15869
_refine_ls_number_parameters     821
_refine_ls_number_restraints     24
_refine_ls_R_factor_all          0.1101
_refine_ls_R_factor_gt           0.0814
_refine_ls_wR_factor_ref         0.2035
_refine_ls_wR_factor_gt          0.1904
_refine_ls_goodness_of_fit_ref   1.000
_refine_ls_restrained_S_all      1.001
_refine_ls_shift/su_max          0.000
_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.4955(2) 0.10268(6) 0.82710(13) 0.073(5) Uiso 0.45 1 d G . P A -1
C2 C 0.5780(2) 0.07476(6) 0.82209(13) 0.059(4) Uiso 0.45 1 d G . P A -1
C3 C 0.7071(2) 0.08348(6) 0.83402(13) 0.082(5) Uiso 0.45 1 d G . P A -1
C4 C 0.7513(2) 0.11775(6) 0.83498(13) 0.058(4) Uiso 0.45 1 d G . P A -1
C5 C 0.6647(2) 0.14441(6) 0.82507(12) 0.050(3) Uiso 0.45 1 d G . P A -1
C6 C 0.5383(2) 0.13659(6) 0.82864(12) 0.057(4) Uiso 0.45 1 d G . P A -1
C7 C 0.4347(2) 0.15680(6) 0.79042(13) 0.062(4) Uiso 0.45 1 d G . P A -1
C8 C 0.3264(2) 0.13539(6) 0.76707(14) 0.041(3) Uiso 0.45 1 d G . P A -1
C9 C 0.3657(2) 0.10105(6) 0.78956(14) 0.059(4) Uiso 0.45 1 d G . P A -1
C10 C 0.3249(2) 0.07439(6) 0.74394(14) 0.051(3) Uiso 0.45 1 d G . P A -1
C11 C 0.4096(2) 0.04764(6) 0.73353(14) 0.045(3) Uiso 0.45 1 d G . P A -1
C12 C 0.5349(2) 0.04681(6) 0.77378(13) 0.050(3) Uiso 0.45 1 d G . P A -1
C13 C 0.6225(2) 0.02908(6) 0.74018(13) 0.040(3) Uiso 0.45 1 d G . P A -1
C14 C 0.7564(2) 0.03687(6) 0.75826(14) 0.051(3) Uiso 0.45 1 d G . P A -1
C15 C 0.7983(2) 0.06350(6) 0.80390(13) 0.068(4) Uiso 0.45 1 d G . P A -1
C16 C 0.8955(2) 0.08501(7) 0.78645(14) 0.080(5) Uiso 0.45 1 d G . P A -1
C17 C 0.8663(2) 0.11910(7) 0.80515(13) 0.083(6) Uiso 0.45 1 d G . P A -1
C18 C 0.8905(2) 0.14496(6) 0.76132(14) 0.058(4) Uiso 0.45 1 d G . P A -1
C19 C 0.8006(2) 0.17187(6) 0.74467(13) 0.033(2) Uiso 0.45 1 d G . P A -1
C20 C 0.6904(2) 0.17276(6) 0.77676(12) 0.040(3) Uiso 0.45 1 d G . P A -1
C21 C 0.5875(2) 0.19010(6) 0.73826(13) 0.039(3) Uiso 0.45 1 d G . P A -1
C22 C 0.4581(2) 0.18303(6) 0.74685(13) 0.045(3) Uiso 0.45 1 d G . P A -1
C23 C 0.3731(2) 0.18885(6) 0.67611(13) 0.033(2) Uiso 0.45 1 d G . P A -1
C24 C 0.2715(2) 0.16848(6) 0.65333(14) 0.039(3) Uiso 0.45 1 d G . P A -1
C25 C 0.2476(2) 0.14041(6) 0.69998(14) 0.052(3) Uiso 0.45 1 d G . P A -1
C26 C 0.2041(2) 0.11253(6) 0.65124(14) 0.136(12) Uiso 0.45 1 d G . P A -1
C27 C 0.2406(2) 0.08026(6) 0.67320(14) 0.039(3) Uiso 0.45 1 d G . P A -1
C28 C 0.2776(2) 0.05714(5) 0.61880(14) 0.032(2) Uiso 0.45 1 d G . P A -1
C29 C 0.3798(2) 0.03703(5) 0.65652(13) 0.031(2) Uiso 0.45 1 d G . P A -1
C30 C 0.4762(2) 0.02489(5) 0.61990(13) 0.026(2) Uiso 0.45 1 d G . P A -1
C31 C 0.5959(2) 0.01840(5) 0.66380(13) 0.032(2) Uiso 0.45 1 d G . P A -1
C32 C 0.7095(2) 0.01910(5) 0.63359(14) 0.026(3) Uiso 0.45 1 d G . P A -1
C33 C 0.8135(2) 0.03022(6) 0.69243(14) 0.036(3) Uiso 0.45 1 d G . P A -1
C34 C 0.9069(2) 0.05049(6) 0.67586(14) 0.049(5) Uiso 0.45 1 d G . P A -1
C35 C 0.9493(2) 0.07892(7) 0.72438(14) 0.061(4) Uiso 0.45 1 d G . P A -1
C36 C 0.9762(2) 0.10658(6) 0.67785(15) 0.100(7) Uiso 0.45 1 d G . P A -1
C37 C 0.9470(2) 0.13868(6) 0.69630(14) 0.050(3) Uiso 0.45 1 d G . P A -1
C38 C 0.8869(2) 0.16211(6) 0.63845(14) 0.026(3) Uiso 0.45 1 d G . P A -1
C39 C 0.7981(2) 0.18250(5) 0.66924(13) 0.028(2) Uiso 0.45 1 d G . P A -1
C40 C 0.6848(2) 0.19379(5) 0.62555(12) 0.0231(19) Uiso 0.45 1 d G . P A -1
C41 C 0.5840(2) 0.20055(5) 0.66301(13) 0.031(3) Uiso 0.45 1 d G . P A -1
C42 C 0.4539(2) 0.19978(5) 0.62513(13) 0.0249(19) Uiso 0.45 1 d G . P A -1
C43 C 0.4265(2) 0.18930(5) 0.55219(12) 0.0217(19) Uiso 0.45 1 d G . P A -1
C44 C 0.3186(2) 0.16772(5) 0.52711(12) 0.027(3) Uiso 0.45 1 d G . P A -1
C45 C 0.2443(2) 0.15788(6) 0.57703(13) 0.031(2) Uiso 0.45 1 d G . P A -1
C46 C 0.2011(2) 0.12312(6) 0.57488(14) 0.036(2) Uiso 0.45 1 d G . P A -1
C47 C 0.2357(2) 0.10145(6) 0.52394(13) 0.029(3) Uiso 0.45 1 d G . P A -1
C48 C 0.2774(2) 0.06717(5) 0.54712(13) 0.030(2) Uiso 0.45 1 d G . P A -1
C49 C 0.3761(2) 0.05772(5) 0.50854(12) 0.021(2) Uiso 0.45 1 d G . P A -1
C50 C 0.4746(2) 0.03610(5) 0.54228(12) 0.0208(18) Uiso 0.45 1 d G . P A -1
C51 C 0.5901(2) 0.03927(5) 0.51649(12) 0.0185(17) Uiso 0.45 1 d G . P A -1
C52 C 0.7087(2) 0.02931(5) 0.56196(13) 0.0231(19) Uiso 0.45 1 d G . P A -1
C53 C 0.8076(2) 0.05094(5) 0.54382(13) 0.025(2) Uiso 0.45 1 d G . P A -1
C54 C 0.9034(2) 0.06106(6) 0.59875(14) 0.034(4) Uiso 0.45 1 d G . P A -1
C55 C 0.9460(2) 0.09539(6) 0.60070(14) 0.046(3) Uiso 0.45 1 d G . P A -1
C56 C 0.8921(2) 0.11769(6) 0.54649(13) 0.027(2) Uiso 0.45 1 d G . P A -1
C57 C 0.8598(2) 0.15160(5) 0.56522(13) 0.022(2) Uiso 0.45 1 d G . P A -1
C58 C 0.7413(2) 0.16125(5) 0.52036(12) 0.0191(18) Uiso 0.45 1 d G . P A -1
C59 C 0.6556(2) 0.18302(5) 0.54801(12) 0.0158(16) Uiso 0.45 1 d G . P A -1
C60 C 0.5274(2) 0.17971(5) 0.51362(11) 0.0137(16) Uiso 0.45 1 d G . P A -1
C61 C 0.4852(2) 0.15229(5) 0.46608(10) 0.0140(18) Uiso 0.45 1 d G . P A -1
C62 C 0.3558(2) 0.14434(5) 0.47368(11) 0.0172(18) Uiso 0.45 1 d G . P A -1
C63 C 0.3160(2) 0.11194(5) 0.47231(11) 0.0202(19) Uiso 0.45 1 d G . P A -1
C64 C 0.4009(2) 0.08559(5) 0.46237(11) 0.0148(17) Uiso 0.45 1 d G . P A -1
C65 C 0.5238(2) 0.09147(5) 0.44944(10) 0.0158(18) Uiso 0.45 1 d G . P A -1
C66 C 0.6149(2) 0.06623(5) 0.47066(11) 0.0154(17) Uiso 0.45 1 d G . P A -1
C67 C 0.7498(2) 0.07419(5) 0.48785(12) 0.0196(18) Uiso 0.45 1 d G . P A -1
C68 C 0.7888(2) 0.10678(5) 0.48888(12) 0.0208(18) Uiso 0.45 1 d G . P A -1
C69 C 0.6981(2) 0.13339(5) 0.47291(11) 0.0151(17) Uiso 0.45 1 d G . P A -1
C70 C 0.5691(2) 0.12680(5) 0.45116(10) 0.0122(19) Uiso 0.45 1 d G . P A -1
C1A C 0.5222(3) 0.01856(7) 0.64706(17) 0.015(3) Uiso 0.3 1 d G . P B -2
C2A C 0.5855(3) 0.02345(7) 0.58497(16) 0.019(3) Uiso 0.3 1 d G . P B -2
C3A C 0.7178(3) 0.02569(7) 0.60502(16) 0.012(2) Uiso 0.3 1 d G . P B -2
C4A C 0.7820(3) 0.03002(7) 0.68080(16) 0.030(4) Uiso 0.3 1 d G . P B -2
C5A C 0.7131(3) 0.03162(7) 0.73907(16) 0.023(3) Uiso 0.3 1 d G . P B -2
C6A C 0.5849(3) 0.02252(7) 0.72210(17) 0.018(3) Uiso 0.3 1 d G . P B -2
C7A C 0.4937(3) 0.03565(7) 0.76414(17) 0.020(3) Uiso 0.3 1 d G . P B -2
C8A C 0.3732(3) 0.03888(7) 0.71524(18) 0.027(3) Uiso 0.3 1 d G . P B -2
C9A C 0.3921(3) 0.02844(7) 0.64089(18) 0.034(4) Uiso 0.3 1 d G . P B -2
C10A C 0.3329(3) 0.04516(8) 0.57879(18) 0.033(3) Uiso 0.3 1 d G . P B -2
C11A C 0.3987(3) 0.05273(7) 0.51890(16) 0.020(3) Uiso 0.3 1 d G . P B -2
C12A C 0.5232(3) 0.04119(7) 0.51981(16) 0.018(3) Uiso 0.3 1 d G . P B -2
C13A C 0.5958(3) 0.06009(7) 0.47824(15) 0.022(3) Uiso 0.3 1 d G . P B -2
C14A C 0.7326(3) 0.05972(7) 0.49666(16) 0.020(3) Uiso 0.3 1 d G . P B -2
C15A C 0.7927(3) 0.04305(7) 0.55870(16) 0.016(3) Uiso 0.3 1 d G . P B -2
C16A C 0.8998(3) 0.05780(7) 0.60497(17) 0.024(5) Uiso 0.3 1 d G . P B -2
C17A C 0.8933(3) 0.05001(7) 0.68164(16) 0.011(3) Uiso 0.3 1 d G . P B -2
C18A C 0.9300(3) 0.07308(7) 0.73572(16) 0.013(2) Uiso 0.3 1 d G . P B -2
C19A C 0.8576(3) 0.07758(7) 0.79409(15) 0.006(2) Uiso 0.3 1 d G . P B -2
C20A C 0.7525(3) 0.05698(7) 0.79834(15) 0.002(3) Uiso 0.3 1 d G . P B -2
C21A C 0.6600(3) 0.07007(7) 0.83404(15) 0.013(2) Uiso 0.3 1 d G . P B -2
C22A C 0.5298(3) 0.05858(7) 0.81906(16) 0.027(3) Uiso 0.3 1 d G . P B -2
C23A C 0.4457(3) 0.08656(8) 0.82701(16) 0.030(3) Uiso 0.3 1 d G . P B -2
C24A C 0.3326(3) 0.08998(8) 0.78044(18) 0.083(14) Uiso 0.3 1 d G . P B -2
C25A C 0.2950(3) 0.06548(8) 0.72168(18) 0.027(3) Uiso 0.3 1 d G . P B -2
C26A C 0.2323(3) 0.08340(8) 0.65668(18) 0.044(5) Uiso 0.3 1 d G . P B -2
C27A C 0.2496(3) 0.07318(8) 0.58686(18) 0.032(3) Uiso 0.3 1 d G . P B -2
C28A C 0.2681(3) 0.09842(8) 0.53195(17) 0.026(3) Uiso 0.3 1 d G . P B -2
C29A C 0.3581(3) 0.08545(8) 0.49008(16) 0.024(3) Uiso 0.3 1 d G . P B -2
C30A C 0.4426(3) 0.10659(8) 0.46064(15) 0.019(3) Uiso 0.3 1 d G . P B -2
C31A C 0.5584(3) 0.09271(8) 0.44931(15) 0.054(13) Uiso 0.3 1 d G . P B -2
C32A C 0.6679(3) 0.11275(8) 0.44869(15) 0.024(3) Uiso 0.3 1 d G . P B -2
C33A C 0.7801(3) 0.09239(8) 0.47735(16) 0.060(12) Uiso 0.3 1 d G . P B -2
C34A C 0.8827(3) 0.10645(8) 0.52094(17) 0.020(3) Uiso 0.3 1 d G . P B -2
C35A C 0.9447(3) 0.08862(8) 0.58716(17) 0.023(3) Uiso 0.3 1 d G . P B -2
C36A C 0.9850(3) 0.11319(8) 0.64503(17) 0.074(7) Uiso 0.3 1 d G . P B -2
C37A C 0.9772(3) 0.10538(8) 0.71728(17) 0.020(3) Uiso 0.3 1 d G . P B -2
C38A C 0.9292(3) 0.13005(8) 0.76504(16) 0.028(3) Uiso 0.3 1 d G . P B -2
C39A C 0.8568(3) 0.11255(7) 0.81229(15) 0.019(3) Uiso 0.3 1 d G . P B -2
C40A C 0.7502(3) 0.12702(7) 0.83425(14) 0.033(4) Uiso 0.3 1 d G . P B -2
C41A C 0.6583(3) 0.10489(7) 0.85187(14) 0.031(3) Uiso 0.3 1 d G . P B -2
C42A C 0.5282(3) 0.11497(8) 0.84758(15) 0.036(4) Uiso 0.3 1 d G . P B -2
C43A C 0.4903(3) 0.14598(8) 0.81933(16) 0.011(2) Uiso 0.3 1 d G . P B -2
C44A C 0.3701(3) 0.15002(8) 0.76992(17) 0.026(3) Uiso 0.3 1 d G . P B -2
C45A C 0.2946(3) 0.12253(8) 0.75170(18) 0.033(3) Uiso 0.3 1 d G . P B -2
C46A C 0.2310(3) 0.11876(8) 0.67473(18) 0.034(4) Uiso 0.3 1 d G . P B -2
C47A C 0.2483(3) 0.14238(8) 0.62325(18) 0.035(4) Uiso 0.3 1 d G . P B -2
C48A C 0.2695(3) 0.13176(8) 0.54910(17) 0.026(3) Uiso 0.3 1 d G . P B -2
C49A C 0.3577(3) 0.15410(8) 0.52546(16) 0.034(4) Uiso 0.3 1 d G . P B -2
C50A C 0.4429(3) 0.14265(8) 0.48001(15) 0.021(3) Uiso 0.3 1 d G . P B -2
C51A C 0.5561(3) 0.16094(7) 0.48514(16) 0.028(3) Uiso 0.3 1 d G . P B -2
C52A C 0.6688(3) 0.14605(8) 0.46626(16) 0.022(3) Uiso 0.3 1 d G . P B -2
C53A C 0.7776(3) 0.16122(8) 0.51275(17) 0.020(3) Uiso 0.3 1 d G . P B -2
C54A C 0.8809(3) 0.14213(8) 0.53890(17) 0.017(3) Uiso 0.3 1 d G . P B -2
C55A C 0.9437(3) 0.14592(8) 0.61491(17) 0.023(3) Uiso 0.3 1 d G . P B -2
C56A C 0.9012(3) 0.16920(7) 0.66043(17) 0.026(3) Uiso 0.3 1 d G . P B -2
C57A C 0.8916(3) 0.16122(7) 0.73670(17) 0.031(3) Uiso 0.3 1 d G . P B -2
C58A C 0.7788(3) 0.17582(7) 0.75496(16) 0.020(3) Uiso 0.3 1 d G . P B -2
C59A C 0.7102(3) 0.16002(7) 0.80504(15) 0.027(3) Uiso 0.3 1 d G . P B -2
C60A C 0.5806(3) 0.16843(7) 0.79540(16) 0.037(4) Uiso 0.3 1 d G . P B -2
C61A C 0.5195(3) 0.18591(7) 0.73147(17) 0.018(3) Uiso 0.3 1 d G . P B -2
C62A C 0.3887(3) 0.17481(7) 0.71449(17) 0.027(3) Uiso 0.3 1 d G . P B -2
C63A C 0.3299(3) 0.17103(8) 0.64280(18) 0.037(4) Uiso 0.3 1 d G . P B -2
C64A C 0.3961(3) 0.17841(7) 0.58383(17) 0.030(3) Uiso 0.3 1 d G . P B -2
C65A C 0.5190(3) 0.19144(7) 0.59586(17) 0.026(3) Uiso 0.3 1 d G . P B -2
C66A C 0.5940(3) 0.18504(7) 0.54153(16) 0.025(3) Uiso 0.3 1 d G . P B -2
C67A C 0.7317(3) 0.18514(7) 0.56024(17) 0.031(3) Uiso 0.3 1 d G . P B -2
C68A C 0.7899(3) 0.18905(7) 0.63233(17) 0.024(3) Uiso 0.3 1 d G . P B -2
C69A C 0.7165(3) 0.19317(7) 0.69008(17) 0.030(4) Uiso 0.3 1 d G . P B -2
C70A C 0.5850(3) 0.19556(7) 0.67406(17) 0.027(4) Uiso 0.3 1 d G . P B -2
C1B C 0.5565(4) 0.20061(9) 0.6491(2) 0.027(4) Uiso 0.25 1 d G . P C -3
C2B C 0.6845(4) 0.19254(9) 0.6775(2) 0.047(6) Uiso 0.25 1 d G . P C -3
C3B C 0.7576(4) 0.18421(9) 0.6225(2) 0.045(5) Uiso 0.25 1 d G . P C -3
C4B C 0.7045(4) 0.17723(10) 0.5470(2) 0.026(4) Uiso 0.25 1 d G . P C -3
C5B C 0.5744(4) 0.17912(10) 0.5249(2) 0.026(4) Uiso 0.25 1 d G . P C -3
C6B C 0.5033(4) 0.19405(9) 0.5746(2) 0.038(5) Uiso 0.25 1 d G . P C -3
C7B C 0.3728(4) 0.18547(10) 0.5743(2) 0.048(6) Uiso 0.25 1 d G . P C -3
C8B C 0.3445(4) 0.18770(10) 0.6487(2) 0.039(5) Uiso 0.25 1 d G . P C -3
C9B C 0.4615(4) 0.19687(9) 0.6960(2) 0.041(5) Uiso 0.25 1 d G . P C -3
C10B C 0.4915(4) 0.18278(9) 0.7648(2) 0.025(4) Uiso 0.25 1 d G . P C -3
C11B C 0.6175(4) 0.17196(9) 0.7914(2) 0.031(4) Uiso 0.25 1 d G . P C -3
C12B C 0.7158(4) 0.17758(9) 0.7497(2) 0.031(4) Uiso 0.25 1 d G . P C -3
C13B C 0.8179(4) 0.15527(10) 0.7633(2) 0.056(6) Uiso 0.25 1 d G . P C -3
C14B C 0.8977(4) 0.14931(10) 0.7075(2) 0.028(4) Uiso 0.25 1 d G . P C -3
C15B C 0.8685(4) 0.16330(10) 0.6385(2) 0.045(8) Uiso 0.25 1 d G . P C -3
C16B C 0.8824(4) 0.14386(11) 0.5746(2) 0.047(6) Uiso 0.25 1 d G . P C -3
C17B C 0.7795(4) 0.15220(10) 0.5172(2) 0.048(6) Uiso 0.25 1 d G . P C -3
C18B C 0.7262(4) 0.12782(11) 0.4711(2) 0.048(6) Uiso 0.25 1 d G . P C -3
C19B C 0.5921(4) 0.12699(11) 0.4507(2) 0.060(9) Uiso 0.25 1 d G . P C -3
C20B C 0.5153(4) 0.15236(10) 0.4746(2) 0.046(6) Uiso 0.25 1 d G . P C -3
C21B C 0.3923(4) 0.14384(11) 0.4794(2) 0.041(5) Uiso 0.25 1 d G . P C -3
C22B C 0.3180(4) 0.16126(11) 0.5277(2) 0.047(7) Uiso 0.25 1 d G . P C -3
C23B C 0.2317(4) 0.13748(11) 0.5544(2) 0.038(5) Uiso 0.25 1 d G . P C -3
C24B C 0.2058(4) 0.13918(11) 0.6248(2) 0.042(5) Uiso 0.25 1 d G . P C -3
C25B C 0.2653(4) 0.16499(10) 0.6744(2) 0.052(6) Uiso 0.25 1 d G . P C -3
C26B C 0.2960(4) 0.14987(10) 0.7467(2) 0.035(4) Uiso 0.25 1 d G . P C -3
C27B C 0.4057(4) 0.15892(9) 0.7912(2) 0.012(3) Uiso 0.25 1 d G . P C -3
C28B C 0.4817(4) 0.13279(9) 0.83290(19) 0.014(3) Uiso 0.25 1 d G . P C -3
C29B C 0.6109(4) 0.14128(9) 0.83353(19) 0.004(2) Uiso 0.25 1 d G . P C -3
C30B C 0.7051(3) 0.11623(9) 0.83489(18) 0.010(3) Uiso 0.25 1 d G . P C -3
C31B C 0.8140(3) 0.12454(10) 0.8045(2) 0.019(3) Uiso 0.25 1 d G . P C -3
C32B C 0.8895(3) 0.09954(10) 0.7763(2) 0.095(11) Uiso 0.25 1 d G . P C -3
C33B C 0.9455(4) 0.11460(11) 0.7155(2) 0.070(8) Uiso 0.25 1 d G . P C -3
C34B C 0.9600(4) 0.09603(11) 0.6548(2) 0.082(9) Uiso 0.25 1 d G . P C -3
C35B C 0.9271(4) 0.11111(11) 0.5818(2) 0.038(5) Uiso 0.25 1 d G . P C -3
C36B C 0.8709(4) 0.08509(11) 0.5322(2) 0.045(5) Uiso 0.25 1 d G . P C -3
C37B C 0.7727(4) 0.09350(11) 0.4785(2) 0.008(5) Uiso 0.25 1 d G . P C -3
C38B C 0.6627(4) 0.07147(11) 0.4634(2) 0.037(4) Uiso 0.25 1 d G . P C -3
C39B C 0.5526(4) 0.09241(11) 0.4459(2) 0.010(7) Uiso 0.25 1 d G . P C -3
C40B C 0.4365(4) 0.08313(10) 0.4657(2) 0.033(4) Uiso 0.25 1 d G . P C -3
C41B C 0.3527(4) 0.10946(11) 0.4752(2) 0.036(5) Uiso 0.25 1 d G . P C -3
C42B C 0.2552(4) 0.10552(11) 0.5207(2) 0.041(6) Uiso 0.25 1 d G . P C -3
C43B C 0.2507(4) 0.07640(11) 0.5611(2) 0.035(4) Uiso 0.25 1 d G . P C -3
C44B C 0.2229(4) 0.07781(11) 0.6360(2) 0.032(4) Uiso 0.25 1 d G . P C -3
C45B C 0.2012(4) 0.10854(11) 0.6660(2) 0.051(7) Uiso 0.25 1 d G . P C -3
C46B C 0.2561(4) 0.11495(10) 0.7423(2) 0.040(5) Uiso 0.25 1 d G . P C -3
C47B C 0.3273(4) 0.09048(10) 0.7814(2) 0.005(4) Uiso 0.25 1 d G . P C -3
C48B C 0.4460(4) 0.09972(9) 0.82782(19) 0.007(2) Uiso 0.25 1 d G . P C -3
C49B C 0.5348(4) 0.07333(9) 0.82401(19) 0.013(3) Uiso 0.25 1 d G . P C -3
C50B C 0.6645(4) 0.08053(9) 0.82916(18) 0.008(3) Uiso 0.25 1 d G . P C -3
C51B C 0.7360(4) 0.05710(9) 0.79513(19) 0.069(12) Uiso 0.25 1 d G . P C -3
C52B C 0.8529(4) 0.06654(10) 0.7711(2) 0.033(4) Uiso 0.25 1 d G . P C -3
C53B C 0.8677(4) 0.04659(10) 0.7067(2) 0.032(4) Uiso 0.25 1 d G . P C -3
C54B C 0.9197(4) 0.06081(11) 0.6507(2) 0.024(4) Uiso 0.25 1 d G . P C -3
C55B C 0.8654(4) 0.05442(11) 0.5754(2) 0.037(4) Uiso 0.25 1 d G . P C -3
C56B C 0.7631(4) 0.03351(10) 0.5601(2) 0.039(5) Uiso 0.25 1 d G . P C -3
C57B C 0.6584(4) 0.04219(10) 0.5039(2) 0.038(5) Uiso 0.25 1 d G . P C -3
C58B C 0.5424(4) 0.03305(10) 0.5283(2) 0.029(4) Uiso 0.25 1 d G . P C -3
C59B C 0.4307(4) 0.05215(10) 0.5079(2) 0.022(3) Uiso 0.25 1 d G . P C -3
C60B C 0.3414(4) 0.04982(10) 0.5569(2) 0.028(4) Uiso 0.25 1 d G . P C -3
C61B C 0.3721(4) 0.03507(9) 0.6279(2) 0.035(5) Uiso 0.25 1 d G . P C -3
C62B C 0.2998(4) 0.05213(10) 0.6780(2) 0.047(5) Uiso 0.25 1 d G . P C -3
C63B C 0.3514(4) 0.05832(9) 0.7487(2) 0.039(5) Uiso 0.25 1 d G . P C -3
C64B C 0.4766(4) 0.04767(9) 0.7745(2) 0.014(3) Uiso 0.25 1 d G . P C -3
C65B C 0.5486(4) 0.02905(8) 0.7310(2) 0.029(4) Uiso 0.25 1 d G . P C -3
C66B C 0.6800(4) 0.03166(9) 0.7472(2) 0.017(3) Uiso 0.25 1 d G . P C -3
C67B C 0.7600(4) 0.02520(9) 0.6910(2) 0.026(4) Uiso 0.25 1 d G . P C -3
C68B C 0.7073(4) 0.01891(9) 0.6201(2) 0.078(13) Uiso 0.25 1 d G . P C -3
C69B C 0.5734(4) 0.01849(9) 0.6003(2) 0.048(6) Uiso 0.25 1 d G . P C -3
C70B C 0.4937(4) 0.02219(9) 0.6532(2) 0.052(6) Uiso 0.25 1 d G . P C -3
Co1 Co 0.90158(5) 0.14227(2) 0.19068(3) 0.01991(14) Uani 1 1 d . . . . .
Cl1 Cl 0.69318(9) 0.12597(2) 0.20514(6) 0.0237(2) Uani 1 1 d . . . . .
P1 P 0.89972(10) 0.18213(3) 0.27732(6) 0.0209(2) Uani 1 1 d . . . . .
P2 P 1.02310(10) 0.11290(3) 0.28626(6) 0.0208(2) Uani 1 1 d . . . . .
P3 P 0.81190(11) 0.17356(3) 0.09107(6) 0.0228(2) Uani 1 1 d . . . . .
P4 P 0.91349(12) 0.10345(3) 0.10136(6) 0.0253(2) Uani 1 1 d . . . . .
C71 C 1.0334(4) 0.21042(10) 0.2938(2) 0.0224(8) Uani 1 1 d . . . . .
C72 C 1.1325(4) 0.20667(10) 0.2552(2) 0.0232(9) Uani 1 1 d . . . . .
H72 H 1.1259 0.1909 0.2156 0.028 Uiso 1 1 calc R U . . .
C73 C 1.2410(4) 0.22564(11) 0.2736(3) 0.0284(10) Uani 1 1 d . . . . .
H73 H 1.3081 0.2230 0.2467 0.034 Uiso 1 1 calc R U . . .
C74 C 1.2509(4) 0.24851(11) 0.3319(3) 0.0282(10) Uani 1 1 d . . . . .
H74 H 1.3257 0.2613 0.3453 0.034 Uiso 1 1 calc R U . . .
C75 C 1.1532(4) 0.25284(11) 0.3701(3) 0.0288(10) Uani 1 1 d . . . . .
H75 H 1.1603 0.2688 0.4093 0.035 Uiso 1 1 calc R U . . .
C76 C 1.0451(4) 0.23408(11) 0.3518(2) 0.0261(9) Uani 1 1 d . . . . .
H76 H 0.9780 0.2372 0.3786 0.031 Uiso 1 1 calc R U . . .
C77 C 0.7674(4) 0.20949(11) 0.2814(2) 0.0226(9) Uani 1 1 d . . . . .
C78 C 0.6678(4) 0.19846(11) 0.3146(2) 0.0267(9) Uani 1 1 d . . . . .
H78 H 0.6683 0.1763 0.3340 0.032 Uiso 1 1 calc R U . . .
C79 C 0.5685(4) 0.21963(12) 0.3195(3) 0.0296(10) Uani 1 1 d . . . . .
H79 H 0.5017 0.2123 0.3432 0.036 Uiso 1 1 calc R U . . .
C80 C 0.5664(4) 0.25193(12) 0.2894(3) 0.0296(10) Uani 1 1 d . . . . .
H80 H 0.4973 0.2663 0.2919 0.035 Uiso 1 1 calc R U . . .
C81 C 0.6645(4) 0.26297(11) 0.2563(3) 0.0279(9) Uani 1 1 d . . . . .
H81 H 0.6632 0.2850 0.2363 0.034 Uiso 1 1 calc R U . . .
C82 C 0.7649(4) 0.24178(11) 0.2522(3) 0.0255(9) Uani 1 1 d . . . . .
H82 H 0.8322 0.2494 0.2293 0.031 Uiso 1 1 calc R U . . .
C83 C 0.9224(4) 0.15959(11) 0.3665(2) 0.0249(9) Uani 1 1 d . . . . .
H83A H 0.9307 0.1756 0.4086 0.030 Uiso 1 1 calc R U . . .
H83B H 0.8500 0.1447 0.3688 0.030 Uiso 1 1 calc R U . . .
C84 C 1.0419(4) 0.13923(10) 0.3703(2) 0.0240(9) Uani 1 1 d . . . . .
H84A H 1.0556 0.1250 0.4156 0.029 Uiso 1 1 calc R U . . .
H84B H 1.1152 0.1543 0.3722 0.029 Uiso 1 1 calc R U . . .
C85 C 1.1821(4) 0.10290(11) 0.2722(2) 0.0239(9) Uani 1 1 d . . . . .
C86 C 1.2766(4) 0.12740(11) 0.2816(2) 0.0253(9) Uani 1 1 d . . . . .
H86 H 1.2601 0.1491 0.2993 0.030 Uiso 1 1 calc R U . . .
C87 C 1.3940(4) 0.12002(12) 0.2651(3) 0.0296(10) Uani 1 1 d . . . . .
H87 H 1.4578 0.1367 0.2713 0.036 Uiso 1 1 calc R U . . .
C88 C 1.4182(5) 0.08852(12) 0.2395(3) 0.0340(11) Uani 1 1 d . . . . .
H88 H 1.4985 0.0836 0.2279 0.041 Uiso 1 1 calc R U . . .
C89 C 1.3259(5) 0.06405(12) 0.2309(3) 0.0364(11) Uani 1 1 d . . . . .
H89 H 1.3433 0.0423 0.2138 0.044 Uiso 1 1 calc R U . . .
C90 C 1.2082(4) 0.07121(11) 0.2471(3) 0.0288(10) Uani 1 1 d . . . . .
H90 H 1.1451 0.0544 0.2411 0.035 Uiso 1 1 calc R U . . .
C91 C 0.9713(4) 0.07395(10) 0.3241(2) 0.0240(9) Uani 1 1 d . . . . .
C92 C 1.0567(4) 0.05637(11) 0.3762(3) 0.0276(9) Uani 1 1 d . . . . .
H92 H 1.1411 0.0640 0.3889 0.033 Uiso 1 1 calc R U . . .
C93 C 1.0193(5) 0.02791(11) 0.4096(3) 0.0308(10) Uani 1 1 d . . . . .
H93 H 1.0777 0.0162 0.4457 0.037 Uiso 1 1 calc R U . . .
C94 C 0.8969(5) 0.01632(11) 0.3908(3) 0.0318(10) Uani 1 1 d . . . . .
H94 H 0.8721 -0.0037 0.4125 0.038 Uiso 1 1 calc R U . . .
C95 C 0.8121(5) 0.03392(12) 0.3405(3) 0.0348(11) Uani 1 1 d . . . . .
H95 H 0.7279 0.0262 0.3281 0.042 Uiso 1 1 calc R U . . .
C96 C 0.8481(4) 0.06307(12) 0.3074(3) 0.0302(10) Uani 1 1 d . . . . .
H96 H 0.7882 0.0754 0.2734 0.036 Uiso 1 1 calc R U . . .
C97 C 0.9274(4) 0.19107(11) 0.0401(2) 0.0251(9) Uani 1 1 d . . . . .
C98 C 1.0102(4) 0.21565(10) 0.0745(2) 0.0254(9) Uani 1 1 d . . . . .
H98 H 1.0004 0.2243 0.1218 0.030 Uiso 1 1 calc R U . . .
C99 C 1.1061(5) 0.22744(11) 0.0402(3) 0.0301(10) Uani 1 1 d . . . . .
H99 H 1.1620 0.2441 0.0640 0.036 Uiso 1 1 calc R U . . .
C100 C 1.1209(5) 0.21499(12) -0.0288(3) 0.0351(11) Uani 1 1 d . . . . .
H100 H 1.1873 0.2229 -0.0521 0.042 Uiso 1 1 calc R U . . .
C101 C 1.0387(5) 0.19101(12) -0.0637(3) 0.0354(11) Uani 1 1 d . . . . .
H101 H 1.0484 0.1826 -0.1112 0.042 Uiso 1 1 calc R U . . .
C102 C 0.9425(5) 0.17917(11) -0.0298(2) 0.0285(10) Uani 1 1 d . . . . .
H102 H 0.8862 0.1628 -0.0543 0.034 Uiso 1 1 calc R U . . .
C103 C 0.6949(4) 0.20700(11) 0.0909(2) 0.0275(9) Uani 1 1 d . . . . .
C104 C 0.5811(5) 0.19897(13) 0.1131(3) 0.0329(10) Uani 1 1 d . . . . .
H104 H 0.5699 0.1775 0.1337 0.039 Uiso 1 1 calc R U . . .
C105 C 0.4848(5) 0.22229(14) 0.1050(3) 0.0388(12) Uani 1 1 d . . . . .
H105 H 0.4075 0.2167 0.1200 0.047 Uiso 1 1 calc R U . . .
C106 C 0.5000(5) 0.25358(14) 0.0754(3) 0.0416(13) Uani 1 1 d . . . . .
H106 H 0.4328 0.2692 0.0686 0.050 Uiso 1 1 calc R U . . .
C107 C 0.6135(5) 0.26194(13) 0.0555(3) 0.0387(12) Uani 1 1 d . . . . .
H107 H 0.6253 0.2837 0.0368 0.046 Uiso 1 1 calc R U . . .
C108 C 0.7103(5) 0.23874(12) 0.0629(3) 0.0313(10) Uani 1 1 d . . . . .
H108 H 0.7878 0.2446 0.0486 0.038 Uiso 1 1 calc R U . . .
C109 C 0.7172(5) 0.14423(11) 0.0272(3) 0.0298(10) Uani 1 1 d . . . . .
H10A H 0.6334 0.1420 0.0415 0.036 Uiso 1 1 calc R U . . .
H10B H 0.7049 0.1536 -0.0240 0.036 Uiso 1 1 calc R U . . .
C110 C 0.7767(5) 0.10927(11) 0.0268(3) 0.0316(10) Uani 1 1 d . . . . .
H11A H 0.8029 0.1056 -0.0220 0.038 Uiso 1 1 calc R U . . .
H11B H 0.7126 0.0922 0.0322 0.038 Uiso 1 1 calc R U . . .
C111 C 1.0487(5) 0.10910(11) 0.0551(3) 0.0289(10) Uani 1 1 d . . . . .
C112 C 1.1487(5) 0.12881(11) 0.0888(3) 0.0302(10) Uani 1 1 d . . . . .
H112 H 1.1477 0.1383 0.1365 0.036 Uiso 1 1 calc R U . . .
C113 C 1.2499(5) 0.13474(13) 0.0533(3) 0.0383(12) Uani 1 1 d . . . . .
H113 H 1.3186 0.1479 0.0773 0.046 Uiso 1 1 calc R U . . .
C114 C 1.2516(6) 0.12163(15) -0.0171(3) 0.0471(14) Uani 1 1 d . . . . .
H114 H 1.3200 0.1262 -0.0419 0.056 Uiso 1 1 calc R U . . .
C115 C 1.1529(6) 0.10182(15) -0.0509(3) 0.0485(14) Uani 1 1 d . . . . .
H115 H 1.1540 0.0927 -0.0989 0.058 Uiso 1 1 calc R U . . .
C116 C 1.0521(5) 0.09510(14) -0.0154(3) 0.0405(12) Uani 1 1 d . . . . .
H116 H 0.9856 0.0811 -0.0387 0.049 Uiso 1 1 calc R U . . .
C117 C 0.9045(5) 0.05831(12) 0.1171(3) 0.0354(11) Uani 1 1 d . . . . .
C118 C 1.0016(6) 0.03664(13) 0.1080(3) 0.0479(14) Uani 1 1 d . . . . .
H118 H 1.0758 0.0452 0.0936 0.057 Uiso 1 1 calc R U . . .
C119 C 0.9896(7) 0.00255(14) 0.1199(4) 0.067(2) Uani 1 1 d . . . . .
H119 H 1.0556 -0.0122 0.1131 0.080 Uiso 1 1 calc R U . . .
C120 C 0.8835(8) -0.01004(14) 0.1413(4) 0.067(2) Uani 1 1 d . . . . .
H120 H 0.8773 -0.0333 0.1509 0.080 Uiso 1 1 calc R U . . .
C121 C 0.7858(8) 0.01120(15) 0.1489(3) 0.0607(19) Uani 1 1 d . . . . .
H121 H 0.7117 0.0024 0.1630 0.073 Uiso 1 1 calc R U . . .
C122 C 0.7951(6) 0.04535(13) 0.1361(3) 0.0452(14) Uani 1 1 d . . . . .
H122 H 0.7268 0.0598 0.1404 0.054 Uiso 1 1 calc R U . . .
Cl2 Cl 0.4625(5) 0.06002(12) 0.0243(3) 0.0991(16) Uani 0.5 1 d . . P D -1
Cl3 Cl 0.3191(5) -0.00416(15) 0.0591(3) 0.0875(13) Uiso 0.5 1 d . . P D -1
C01 C 0.5054(15) 0.0205(4) 0.0026(8) 0.043(4) Uani 0.5 1 d . U P D -1
C02 C 0.4573(18) -0.0071(5) 0.0169(9) 0.062(4) Uani 0.5 1 d . . P D -1
C03 C 0.495(2) -0.0371(4) 0.0004(10) 0.076(6) Uani 0.5 1 d . U P D -1
H03 H 0.4603 -0.0575 0.0147 0.092 Uiso 0.5 1 calc R U P D -1
C04 C 0.6015(17) -0.0350(5) -0.0452(12) 0.103(7) Uani 0.5 1 d . U P D -1
H04 H 0.6076 -0.0547 -0.0737 0.123 Uiso 0.5 1 calc R U P D -1
C05 C 0.6808(17) -0.0140(3) -0.0535(8) 0.066(4) Uani 0.5 1 d . U P D -1
H05 H 0.7589 -0.0166 -0.0700 0.079 Uiso 0.5 1 calc R U P D -1
C06 C 0.6157(18) 0.0185(4) -0.0290(9) 0.073(4) Uani 0.5 1 d . . P D -1
H06 H 0.6552 0.0392 -0.0363 0.088 Uiso 0.5 1 calc R U P D -1


_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
C1 C6 1.4284 . ?
C1 C2 1.4398 . ?
C1 C9 1.4496 . ?
C2 C3 1.4178 . ?
C2 C12 1.4459 . ?
C3 C4 1.4471 . ?
C3 C15 1.4485 . ?
C4 C5 1.4076 . ?
C4 C17 1.4426 . ?
C5 C6 1.4145 . ?
C5 C20 1.4887 . ?
C6 C7 1.4537 . ?
C7 C22 1.3637 . ?
C7 C8 1.4516 . ?
C8 C25 1.3755 . ?
C8 C9 1.4710 . ?
C9 C10 1.3740 . ?
C10 C11 1.4408 . ?
C10 C27 1.4602 . ?
C11 C12 1.4226 . ?
C11 C29 1.4462 . ?
C12 C13 1.4054 . ?
C13 C31 1.4348 . ?
C13 C14 1.4599 . ?
C14 C15 1.3758 . ?
C14 C33 1.4660 . ?
C15 C16 1.4347 . ?
C16 C35 1.3808 . ?
C16 C17 1.4501 . ?
C17 C18 1.3577 . ?
C18 C19 1.4442 . ?
C18 C37 1.4463 . ?
C19 C20 1.4166 . ?
C19 C39 1.4335 . ?
C20 C21 1.3906 . ?
C21 C41 1.4267 . ?
C21 C22 1.4618 . ?
C22 C23 1.4637 . ?
C23 C24 1.3701 . ?
C23 C42 1.4500 . ?
C24 C45 1.4328 . ?
C24 C25 1.4558 . ?
C25 C26 1.4488 . ?
C26 C27 1.3846 . ?
C26 C46 1.4483 . ?
C27 C28 1.4600 . ?
C28 C48 1.3652 . ?
C28 C29 1.4384 . ?
C29 C30 1.4184 . ?
C30 C31 1.4202 . ?
C30 C50 1.4801 . ?
C31 C32 1.4315 . ?
C32 C52 1.3655 . ?
C32 C33 1.4781 . ?
C33 C34 1.3680 . ?
C34 C54 1.4604 . ?
C34 C35 1.4611 . ?
C35 C36 1.4517 . ?
C36 C37 1.3750 . ?
C36 C55 1.4557 . ?
C37 C38 1.4710 . ?
C38 C57 1.3796 . ?
C38 C39 1.4450 . ?
C39 C40 1.4116 . ?
C40 C41 1.4093 . ?
C40 C59 1.4567 . ?
C41 C42 1.4536 . ?
C42 C43 1.3744 . ?
C43 C60 1.4487 . ?
C43 C44 1.4565 . ?
C44 C45 1.3724 . ?
C44 C62 1.4545 . ?
C45 C46 1.4616 . ?
C46 C47 1.3677 . ?
C47 C63 1.4495 . ?
C47 C48 1.4779 . ?
C48 C49 1.4278 . ?
C49 C50 1.4230 . ?
C49 C64 1.4472 . ?
C50 C51 1.4152 . ?
C51 C66 1.4161 . ?
C51 C52 1.4536 . ?
C52 C53 1.4563 . ?
C53 C54 1.3680 . ?
C53 C67 1.4371 . ?
C54 C55 1.4434 . ?
C55 C56 1.3795 . ?
C56 C57 1.4524 . ?
C56 C68 1.4575 . ?
C57 C58 1.4456 . ?
C58 C59 1.4247 . ?
C58 C69 1.4347 . ?
C59 C60 1.4233 . ?
C60 C61 1.4200 . ?
C61 C70 1.4208 . ?
C61 C62 1.4644 . ?
C62 C63 1.3608 . ?
C63 C64 1.4276 . ?
C64 C65 1.4095 . ?
C65 C66 1.4137 . ?
C65 C70 1.4907 . ?
C66 C67 1.4708 . ?
C67 C68 1.3661 . ?
C68 C69 1.4400 . ?
C69 C70 1.4054 . ?
C1A C6A 1.4236 . ?
C1A C2A 1.4341 . ?
C1A C9A 1.4468 . ?
C2A C3A 1.4154 . ?
C2A C12A 1.4427 . ?
C3A C4A 1.4423 . ?
C3A C15A 1.4450 . ?
C4A C5A 1.4017 . ?
C4A C17A 1.4413 . ?
C5A C6A 1.4124 . ?
C5A C20A 1.4861 . ?
C6A C7A 1.4491 . ?
C7A C22A 1.3612 . ?
C7A C8A 1.4487 . ?
C8A C25A 1.3743 . ?
C8A C9A 1.4649 . ?
C9A C10A 1.3709 . ?
C10A C11A 1.4354 . ?
C10A C27A 1.4590 . ?
C11A C12A 1.4198 . ?
C11A C29A 1.4462 . ?
C12A C13A 1.4025 . ?
C13A C31A 1.4349 . ?
C13A C14A 1.4573 . ?
C14A C15A 1.3727 . ?
C14A C33A 1.4663 . ?
C15A C16A 1.4326 . ?
C16A C35A 1.3812 . ?
C16A C17A 1.4442 . ?
C17A C18A 1.3555 . ?
C18A C19A 1.4384 . ?
C18A C37A 1.4467 . ?
C19A C20A 1.4155 . ?
C19A C39A 1.4341 . ?
C20A C21A 1.3865 . ?
C21A C41A 1.4271 . ?
C21A C22A 1.4599 . ?
C22A C23A 1.4624 . ?
C23A C24A 1.3674 . ?
C23A C42A 1.4500 . ?
C24A C45A 1.4328 . ?
C24A C25A 1.4533 . ?
C25A C26A 1.4454 . ?
C26A C27A 1.3789 . ?
C26A C46A 1.4489 . ?
C27A C28A 1.4575 . ?
C28A C48A 1.3658 . ?
C28A C29A 1.4338 . ?
C29A C30A 1.4164 . ?
C30A C31A 1.4171 . ?
C30A C50A 1.4807 . ?
C31A C32A 1.4303 . ?
C32A C52A 1.3659 . ?
C32A C33A 1.4762 . ?
C33A C34A 1.3661 . ?
C34A C35A 1.4577 . ?
C34A C54A 1.4611 . ?
C35A C36A 1.4493 . ?
C36A C37A 1.3694 . ?
C36A C55A 1.4557 . ?
C37A C38A 1.4675 . ?
C38A C57A 1.3798 . ?
C38A C39A 1.4414 . ?
C39A C40A 1.4082 . ?
C40A C41A 1.4080 . ?
C40A C59A 1.4569 . ?
C41A C42A 1.4508 . ?
C42A C43A 1.3744 . ?
C43A C60A 1.4470 . ?
C43A C44A 1.4537 . ?
C44A C45A 1.3725 . ?
C44A C62A 1.4519 . ?
C45A C46A 1.4568 . ?
C46A C47A 1.3654 . ?
C47A C63A 1.4497 . ?
C47A C48A 1.4716 . ?
C48A C49A 1.4261 . ?
C49A C50A 1.4181 . ?
C49A C64A 1.4447 . ?
C50A C51A 1.4139 . ?
C51A C66A 1.4137 . ?
C51A C52A 1.4502 . ?
C52A C53A 1.4542 . ?
C53A C54A 1.3664 . ?
C53A C67A 1.4338 . ?
C54A C55A 1.4386 . ?
C55A C56A 1.3762 . ?
C56A C57A 1.4465 . ?
C56A C68A 1.4557 . ?
C57A C58A 1.4422 . ?
C58A C59A 1.4208 . ?
C58A C69A 1.4315 . ?
C59A C60A 1.4206 . ?
C60A C61A 1.4169 . ?
C61A C70A 1.4157 . ?
C61A C62A 1.4623 . ?
C62A C63A 1.3563 . ?
C63A C64A 1.4222 . ?
C64A C65A 1.4078 . ?
C65A C66A 1.4082 . ?
C65A C70A 1.4857 . ?
C66A C67A 1.4682 . ?
C67A C68A 1.3615 . ?
C68A C69A 1.4342 . ?
C69A C70A 1.4028 . ?
C1B C6B 1.4018 . ?
C1B C2B 1.4267 . ?
C1B C9B 1.4548 . ?
C2B C3B 1.4205 . ?
C2B C12B 1.4306 . ?
C3B C4B 1.4201 . ?
C3B C15B 1.4471 . ?
C4B C5B 1.3953 . ?
C4B C17B 1.4508 . ?
C5B C6B 1.4182 . ?
C5B C20B 1.4763 . ?
C6B C7B 1.4505 . ?
C7B C22B 1.3519 . ?
C7B C8B 1.4432 . ?
C8B C25B 1.3830 . ?
C8B C9B 1.4468 . ?
C9B C10B 1.3596 . ?
C10B C11B 1.4296 . ?
C10B C27B 1.4680 . ?
C11B C12B 1.4281 . ?
C11B C29B 1.4528 . ?
C12B C13B 1.4060 . ?
C13B C31B 1.4415 . ?
C13B C14B 1.4632 . ?
C14B C15B 1.3612 . ?
C14B C33B 1.4762 . ?
C15B C16B 1.4279 . ?
C16B C35B 1.3908 . ?
C16B C17B 1.4257 . ?
C17B C18B 1.3464 . ?
C18B C19B 1.4321 . ?
C18B C37B 1.4568 . ?
C19B C20B 1.4252 . ?
C19B C39B 1.4417 . ?
C20B C21B 1.3895 . ?
C21B C41B 1.4349 . ?
C21B C22B 1.4666 . ?
C22B C23B 1.4713 . ?
C23B C24B 1.3619 . ?
C23B C42B 1.4563 . ?
C24B C45B 1.4395 . ?
C24B C25B 1.4432 . ?
C25B C26B 1.4336 . ?
C26B C27B 1.3624 . ?
C26B C46B 1.4565 . ?
C27B C28B 1.4554 . ?
C28B C48B 1.3732 . ?
C28B C29B 1.4350 . ?
C29B C30B 1.4238 . ?
C30B C31B 1.4254 . ?
C30B C50B 1.4884 . ?
C31B C32B 1.4398 . ?
C32B C52B 1.3732 . ?
C32B C33B 1.4806 . ?
C33B C34B 1.3616 . ?
C34B C35B 1.4456 . ?
C34B C54B 1.4689 . ?
C35B C36B 1.4395 . ?
C36B C37B 1.3523 . ?
C36B C55B 1.4622 . ?
C37B C38B 1.4657 . ?
C38B C57B 1.3859 . ?
C38B C39B 1.4430 . ?
C39B C40B 1.4149 . ?
C40B C41B 1.4174 . ?
C40B C59B 1.4635 . ?
C41B C42B 1.4591 . ?
C42B C43B 1.3808 . ?
C43B C44B 1.4477 . ?
C43B C60B 1.4558 . ?
C44B C45B 1.3791 . ?
C44B C62B 1.4496 . ?
C45B C46B 1.4343 . ?
C46B C47B 1.3634 . ?
C47B C48B 1.4544 . ?
C47B C63B 1.4563 . ?
C48B C49B 1.4349 . ?
C49B C50B 1.4177 . ?
C49B C64B 1.4346 . ?
C50B C51B 1.4225 . ?
C51B C66B 1.4042 . ?
C51B C52B 1.4579 . ?
C52B C53B 1.4497 . ?
C53B C54B 1.3706 . ?
C53B C67B 1.4316 . ?
C54B C55B 1.4163 . ?
C55B C56B 1.3739 . ?
C56B C57B 1.4287 . ?
C56B C68B 1.4597 . ?
C57B C58B 1.4499 . ?
C58B C69B 1.4194 . ?
C58B C59B 1.4207 . ?
C59B C60B 1.4280 . ?
C60B C61B 1.4053 . ?
C61B C70B 1.4109 . ?
C61B C62B 1.4687 . ?
C62B C63B 1.3350 . ?
C63B C64B 1.4170 . ?
C64B C65B 1.4149 . ?
C65B C66B 1.4038 . ?
C65B C70B 1.4629 . ?
C66B C67B 1.4741 . ?
C67B C68B 1.3403 . ?
C68B C69B 1.4284 . ?
C69B C70B 1.4089 . ?
Co1 P1 2.2430(12) . ?
Co1 P4 2.2661(12) . ?
Co1 P3 2.2740(12) . ?
Co1 P2 2.3075(12) . ?
Co1 Cl1 2.4033(11) . ?
P1 C77 1.811(4) . ?
P1 C71 1.816(4) . ?
P1 C83 1.834(4) . ?
P2 C85 1.826(4) . ?
P2 C91 1.827(4) . ?
P2 C84 1.838(4) . ?
P3 C97 1.822(4) . ?
P3 C109 1.831(5) . ?
P3 C103 1.837(5) . ?
P4 C111 1.825(5) . ?
P4 C117 1.829(5) . ?
P4 C110 1.839(5) . ?
C71 C72 1.390(6) . ?
C71 C76 1.406(6) . ?
C72 C73 1.387(6) . ?
C73 C74 1.389(7) . ?
C74 C75 1.374(6) . ?
C75 C76 1.379(6) . ?
C77 C82 1.392(6) . ?
C77 C78 1.396(6) . ?
C78 C79 1.380(6) . ?
C79 C80 1.398(7) . ?
C80 C81 1.381(6) . ?
C81 C82 1.388(6) . ?
C83 C84 1.517(6) . ?
C85 C90 1.390(6) . ?
C85 C86 1.402(6) . ?
C86 C87 1.386(6) . ?
C87 C88 1.381(7) . ?
C88 C89 1.385(7) . ?
C89 C90 1.386(7) . ?
C91 C96 1.382(6) . ?
C91 C92 1.391(6) . ?
C92 C93 1.382(6) . ?
C93 C94 1.386(7) . ?
C94 C95 1.369(7) . ?
C95 C96 1.397(6) . ?
C97 C102 1.394(6) . ?
C97 C98 1.400(6) . ?
C98 C99 1.384(6) . ?
C99 C100 1.388(7) . ?
C100 C101 1.381(7) . ?
C101 C102 1.384(7) . ?
C103 C108 1.386(6) . ?
C103 C104 1.398(7) . ?
C104 C105 1.385(7) . ?
C105 C106 1.382(8) . ?
C106 C107 1.379(8) . ?
C107 C108 1.386(7) . ?
C109 C110 1.536(6) . ?
C111 C112 1.389(7) . ?
C111 C116 1.407(7) . ?
C112 C113 1.386(7) . ?
C113 C114 1.388(8) . ?
C114 C115 1.382(8) . ?
C115 C116 1.386(8) . ?
C117 C122 1.389(8) . ?
C117 C118 1.393(8) . ?
C118 C119 1.387(8) . ?
C119 C120 1.370(11) . ?
C120 C121 1.380(10) . ?
C121 C122 1.389(7) . ?
Cl2 C01 1.709(14) . ?
Cl3 C02 1.80(2) . ?
C01 C02 1.26(2) . ?
C01 C06 1.42(2) . ?
C02 C03 1.32(2) . ?
C03 C04 1.54(3) . ?
C04 C05 1.23(2) . ?
C05 C06 1.577(17) . ?

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
C6 C1 C2 122.1 . . ?
C6 C1 C9 109.6 . . ?
C2 C1 C9 119.6 . . ?
C3 C2 C1 113.9 . . ?
C3 C2 C12 119.0 . . ?
C1 C2 C12 119.9 . . ?
C2 C3 C4 123.2 . . ?
C2 C3 C15 121.6 . . ?
C4 C3 C15 106.2 . . ?
C5 C4 C17 121.4 . . ?
C5 C4 C3 120.1 . . ?
C17 C4 C3 109.6 . . ?
C4 C5 C6 117.0 . . ?
C4 C5 C20 117.4 . . ?
C6 C5 C20 118.5 . . ?
C5 C6 C1 121.3 . . ?
C5 C6 C7 121.6 . . ?
C1 C6 C7 107.2 . . ?
C22 C7 C8 120.2 . . ?
C22 C7 C6 119.9 . . ?
C8 C7 C6 109.1 . . ?
C25 C8 C7 121.1 . . ?
C25 C8 C9 119.1 . . ?
C7 C8 C9 106.7 . . ?
C10 C9 C1 120.1 . . ?
C10 C9 C8 120.4 . . ?
C1 C9 C8 107.3 . . ?
C9 C10 C11 120.6 . . ?
C9 C10 C27 119.6 . . ?
C11 C10 C27 108.4 . . ?
C12 C11 C10 121.3 . . ?
C12 C11 C29 121.5 . . ?
C10 C11 C29 107.8 . . ?
C13 C12 C11 116.1 . . ?
C13 C12 C2 118.9 . . ?
C11 C12 C2 118.1 . . ?
C12 C13 C31 122.4 . . ?
C12 C13 C14 120.8 . . ?
C31 C13 C14 107.7 . . ?
C15 C14 C13 120.6 . . ?
C15 C14 C33 119.5 . . ?
C13 C14 C33 108.7 . . ?
C14 C15 C16 120.3 . . ?
C14 C15 C3 118.7 . . ?
C16 C15 C3 109.2 . . ?
C35 C16 C15 120.4 . . ?
C35 C16 C17 119.8 . . ?
C15 C16 C17 108.1 . . ?
C18 C17 C4 121.2 . . ?
C18 C17 C16 120.1 . . ?
C4 C17 C16 106.9 . . ?
C17 C18 C19 119.7 . . ?
C17 C18 C37 120.2 . . ?
C19 C18 C37 108.8 . . ?
C20 C19 C39 120.8 . . ?
C20 C19 C18 121.0 . . ?
C39 C19 C18 108.6 . . ?
C21 C20 C19 117.4 . . ?
C21 C20 C5 117.4 . . ?
C19 C20 C5 118.9 . . ?
C20 C21 C41 120.9 . . ?
C20 C21 C22 123.1 . . ?
C41 C21 C22 107.2 . . ?
C7 C22 C21 119.3 . . ?
C7 C22 C23 118.8 . . ?
C21 C22 C23 109.9 . . ?
C24 C23 C42 121.7 . . ?
C24 C23 C22 121.2 . . ?
C42 C23 C22 104.8 . . ?
C23 C24 C45 119.1 . . ?
C23 C24 C25 119.6 . . ?
C45 C24 C25 108.2 . . ?
C8 C25 C26 121.0 . . ?
C8 C25 C24 119.0 . . ?
C26 C25 C24 107.7 . . ?
C27 C26 C46 120.4 . . ?
C27 C26 C25 119.5 . . ?
C46 C26 C25 108.3 . . ?
C26 C27 C28 119.3 . . ?
C26 C27 C10 120.4 . . ?
C28 C27 C10 107.1 . . ?
C48 C28 C29 119.5 . . ?
C48 C28 C27 120.6 . . ?
C29 C28 C27 107.9 . . ?
C30 C29 C28 122.2 . . ?
C30 C29 C11 119.9 . . ?
C28 C29 C11 108.8 . . ?
C29 C30 C31 118.0 . . ?
C29 C30 C50 117.4 . . ?
C31 C30 C50 116.7 . . ?
C30 C31 C32 122.6 . . ?
C30 C31 C13 119.9 . . ?
C32 C31 C13 109.1 . . ?
C52 C32 C31 120.8 . . ?
C52 C32 C33 118.7 . . ?
C31 C32 C33 108.7 . . ?
C34 C33 C14 120.5 . . ?
C34 C33 C32 120.9 . . ?
C14 C33 C32 105.8 . . ?
C33 C34 C54 119.2 . . ?
C33 C34 C35 119.4 . . ?
C54 C34 C35 108.1 . . ?
C16 C35 C36 120.1 . . ?
C16 C35 C34 120.0 . . ?
C36 C35 C34 108.1 . . ?
C37 C36 C35 119.1 . . ?
C37 C36 C55 120.0 . . ?
C35 C36 C55 107.2 . . ?
C36 C37 C18 120.7 . . ?
C36 C37 C38 120.5 . . ?
C18 C37 C38 106.3 . . ?
C57 C38 C39 120.2 . . ?
C57 C38 C37 119.4 . . ?
C39 C38 C37 108.6 . . ?
C40 C39 C19 120.2 . . ?
C40 C39 C38 122.1 . . ?
C19 C39 C38 107.7 . . ?
C41 C40 C39 117.1 . . ?
C41 C40 C59 118.2 . . ?
C39 C40 C59 118.1 . . ?
C40 C41 C21 121.1 . . ?
C40 C41 C42 122.1 . . ?
C21 C41 C42 108.0 . . ?
C43 C42 C23 118.4 . . ?
C43 C42 C41 119.4 . . ?
C23 C42 C41 110.1 . . ?
C42 C43 C60 119.7 . . ?
C42 C43 C44 120.5 . . ?
C60 C43 C44 108.7 . . ?
C45 C44 C62 121.5 . . ?
C45 C44 C43 119.4 . . ?
C62 C44 C43 106.8 . . ?
C44 C45 C24 120.9 . . ?
C44 C45 C46 118.4 . . ?
C24 C45 C46 108.4 . . ?
C47 C46 C26 120.3 . . ?
C47 C46 C45 119.6 . . ?
C26 C46 C45 107.3 . . ?
C46 C47 C63 121.6 . . ?
C46 C47 C48 119.8 . . ?
C63 C47 C48 105.4 . . ?
C28 C48 C49 121.2 . . ?
C28 C48 C47 119.6 . . ?
C49 C48 C47 108.7 . . ?
C50 C49 C48 121.0 . . ?
C50 C49 C64 121.0 . . ?
C48 C49 C64 108.3 . . ?
C51 C50 C49 116.1 . . ?
C51 C50 C30 118.8 . . ?
C49 C50 C30 118.5 . . ?
C50 C51 C66 122.2 . . ?
C50 C51 C52 121.9 . . ?
C66 C51 C52 107.7 . . ?
C32 C52 C51 118.9 . . ?
C32 C52 C53 120.8 . . ?
C51 C52 C53 108.5 . . ?
C54 C53 C67 120.5 . . ?
C54 C53 C52 120.0 . . ?
C67 C53 C52 107.4 . . ?
C53 C54 C55 119.7 . . ?
C53 C54 C34 120.4 . . ?
C55 C54 C34 107.2 . . ?
C56 C55 C54 120.1 . . ?
C56 C55 C36 119.2 . . ?
C54 C55 C36 109.3 . . ?
C55 C56 C57 121.4 . . ?
C55 C56 C68 119.7 . . ?
C57 C56 C68 105.2 . . ?
C38 C57 C58 118.8 . . ?
C38 C57 C56 119.4 . . ?
C58 C57 C56 109.9 . . ?
C59 C58 C69 121.5 . . ?
C59 C58 C57 122.0 . . ?
C69 C58 C57 107.2 . . ?
C60 C59 C58 115.6 . . ?
C60 C59 C40 118.8 . . ?
C58 C59 C40 118.6 . . ?
C61 C60 C59 121.6 . . ?
C61 C60 C43 108.1 . . ?
C59 C60 C43 121.3 . . ?
C60 C61 C70 121.4 . . ?
C60 C61 C62 108.6 . . ?
C70 C61 C62 121.1 . . ?
C63 C62 C44 119.9 . . ?
C63 C62 C61 120.5 . . ?
C44 C62 C61 107.8 . . ?
C62 C63 C64 119.6 . . ?
C62 C63 C47 119.1 . . ?
C64 C63 C47 110.0 . . ?
C65 C64 C63 123.0 . . ?
C65 C64 C49 120.1 . . ?
C63 C64 C49 107.6 . . ?
C64 C65 C66 117.9 . . ?
C64 C65 C70 118.0 . . ?
C66 C65 C70 117.2 . . ?
C65 C66 C51 120.5 . . ?
C65 C66 C67 121.4 . . ?
C51 C66 C67 108.8 . . ?
C68 C67 C53 120.6 . . ?
C68 C67 C66 120.0 . . ?
C53 C67 C66 107.6 . . ?
C67 C68 C69 120.1 . . ?
C67 C68 C56 119.3 . . ?
C69 C68 C56 109.5 . . ?
C70 C69 C58 121.1 . . ?
C70 C69 C68 121.7 . . ?
C58 C69 C68 108.1 . . ?
C69 C70 C61 116.6 . . ?
C69 C70 C65 119.3 . . ?
C61 C70 C65 117.5 . . ?
C6A C1A C2A 122.0 . . ?
C6A C1A C9A 109.7 . . ?
C2A C1A C9A 119.6 . . ?
C3A C2A C1A 113.9 . . ?
C3A C2A C12A 119.0 . . ?
C1A C2A C12A 119.8 . . ?
C2A C3A C4A 123.3 . . ?
C2A C3A C15A 121.6 . . ?
C4A C3A C15A 106.0 . . ?
C5A C4A C17A 121.4 . . ?
C5A C4A C3A 120.0 . . ?
C17A C4A C3A 109.7 . . ?
C4A C5A C6A 117.0 . . ?
C4A C5A C20A 117.3 . . ?
C6A C5A C20A 118.6 . . ?
C5A C6A C1A 121.4 . . ?
C5A C6A C7A 121.6 . . ?
C1A C6A C7A 107.1 . . ?
C22A C7A C8A 120.2 . . ?
C22A C7A C6A 119.8 . . ?
C8A C7A C6A 109.2 . . ?
C25A C8A C7A 121.1 . . ?
C25A C8A C9A 119.1 . . ?
C7A C8A C9A 106.6 . . ?
C10A C9A C1A 120.2 . . ?
C10A C9A C8A 120.2 . . ?
C1A C9A C8A 107.3 . . ?
C9A C10A C11A 120.5 . . ?
C9A C10A C27A 119.8 . . ?
C11A C10A C27A 108.2 . . ?
C12A C11A C10A 121.2 . . ?
C12A C11A C29A 121.6 . . ?
C10A C11A C29A 107.8 . . ?
C13A C12A C11A 116.0 . . ?
C13A C12A C2A 118.9 . . ?
C11A C12A C2A 118.2 . . ?
C12A C13A C31A 122.5 . . ?
C12A C13A C14A 120.8 . . ?
C31A C13A C14A 107.6 . . ?
C15A C14A C13A 120.6 . . ?
C15A C14A C33A 119.5 . . ?
C13A C14A C33A 108.7 . . ?
C14A C15A C16A 120.1 . . ?
C14A C15A C3A 118.7 . . ?
C16A C15A C3A 109.3 . . ?
C35A C16A C15A 120.5 . . ?
C35A C16A C17A 119.8 . . ?
C15A C16A C17A 108.0 . . ?
C18A C17A C4A 121.4 . . ?
C18A C17A C16A 119.9 . . ?
C4A C17A C16A 106.9 . . ?
C17A C18A C19A 119.6 . . ?
C17A C18A C37A 120.4 . . ?
C19A C18A C37A 108.7 . . ?
C20A C19A C39A 121.0 . . ?
C20A C19A C18A 121.0 . . ?
C39A C19A C18A 108.6 . . ?
C21A C20A C19A 117.3 . . ?
C21A C20A C5A 117.3 . . ?
C19A C20A C5A 119.1 . . ?
C20A C21A C41A 120.9 . . ?
C20A C21A C22A 123.0 . . ?
C41A C21A C22A 107.3 . . ?
C7A C22A C21A 119.4 . . ?
C7A C22A C23A 118.8 . . ?
C21A C22A C23A 109.7 . . ?
C24A C23A C42A 121.6 . . ?
C24A C23A C22A 121.2 . . ?
C42A C23A C22A 104.9 . . ?
C23A C24A C45A 119.0 . . ?
C23A C24A C25A 119.6 . . ?
C45A C24A C25A 108.4 . . ?
C8A C25A C26A 121.2 . . ?
C8A C25A C24A 119.1 . . ?
C26A C25A C24A 107.5 . . ?
C27A C26A C25A 119.3 . . ?
C27A C26A C46A 120.4 . . ?
C25A C26A C46A 108.5 . . ?
C26A C27A C28A 119.1 . . ?
C26A C27A C10A 120.4 . . ?
C28A C27A C10A 107.3 . . ?
C48A C28A C29A 119.5 . . ?
C48A C28A C27A 120.9 . . ?
C29A C28A C27A 107.7 . . ?
C30A C29A C28A 122.0 . . ?
C30A C29A C11A 120.0 . . ?
C28A C29A C11A 108.9 . . ?
C29A C30A C31A 117.9 . . ?
C29A C30A C50A 117.6 . . ?
C31A C30A C50A 116.7 . . ?
C30A C31A C32A 122.4 . . ?
C30A C31A C13A 120.0 . . ?
C32A C31A C13A 109.2 . . ?
C52A C32A C31A 120.9 . . ?
C52A C32A C33A 118.7 . . ?
C31A C32A C33A 108.6 . . ?
C34A C33A C14A 120.6 . . ?
C34A C33A C32A 120.8 . . ?
C14A C33A C32A 105.8 . . ?
C33A C34A C35A 119.2 . . ?
C33A C34A C54A 119.2 . . ?
C35A C34A C54A 108.2 . . ?
C16A C35A C36A 120.3 . . ?
C16A C35A C34A 120.0 . . ?
C36A C35A C34A 107.9 . . ?
C37A C36A C35A 118.9 . . ?
C37A C36A C55A 120.0 . . ?
C35A C36A C55A 107.4 . . ?
C36A C37A C18A 120.6 . . ?
C36A C37A C38A 120.3 . . ?
C18A C37A C38A 106.5 . . ?
C57A C38A C39A 120.3 . . ?
C57A C38A C37A 119.6 . . ?
C39A C38A C37A 108.4 . . ?
C40A C39A C19A 120.2 . . ?
C40A C39A C38A 121.9 . . ?
C19A C39A C38A 107.9 . . ?
C41A C40A C39A 117.0 . . ?
C41A C40A C59A 118.3 . . ?
C39A C40A C59A 118.2 . . ?
C40A C41A C21A 121.3 . . ?
C40A C41A C42A 122.0 . . ?
C21A C41A C42A 108.0 . . ?
C43A C42A C23A 118.5 . . ?
C43A C42A C41A 119.5 . . ?
C23A C42A C41A 110.1 . . ?
C42A C43A C60A 119.8 . . ?
C42A C43A C44A 120.4 . . ?
C60A C43A C44A 108.8 . . ?
C45A C44A C62A 121.7 . . ?
C45A C44A C43A 119.3 . . ?
C62A C44A C43A 106.7 . . ?
C44A C45A C24A 121.1 . . ?
C44A C45A C46A 118.4 . . ?
C24A C45A C46A 108.3 . . ?
C47A C46A C26A 120.5 . . ?
C47A C46A C45A 119.4 . . ?
C26A C46A C45A 107.3 . . ?
C46A C47A C63A 121.8 . . ?
C46A C47A C48A 119.6 . . ?
C63A C47A C48A 105.4 . . ?
C28A C48A C49A 121.4 . . ?
C28A C48A C47A 119.5 . . ?
C49A C48A C47A 108.5 . . ?
C50A C49A C48A 120.8 . . ?
C50A C49A C64A 120.9 . . ?
C48A C49A C64A 108.5 . . ?
C51A C50A C49A 116.0 . . ?
C51A C50A C30A 118.9 . . ?
C49A C50A C30A 118.5 . . ?
C66A C51A C50A 122.4 . . ?
C66A C51A C52A 107.6 . . ?
C50A C51A C52A 121.8 . . ?
C32A C52A C51A 118.9 . . ?
C32A C52A C53A 120.8 . . ?
C51A C52A C53A 108.6 . . ?
C54A C53A C67A 120.6 . . ?
C54A C53A C52A 119.9 . . ?
C67A C53A C52A 107.4 . . ?
C53A C54A C55A 119.7 . . ?
C53A C54A C34A 120.5 . . ?
C55A C54A C34A 107.2 . . ?
C56A C55A C54A 120.0 . . ?
C56A C55A C36A 119.4 . . ?
C54A C55A C36A 109.3 . . ?
C55A C56A C57A 121.2 . . ?
C55A C56A C68A 119.9 . . ?
C57A C56A C68A 105.3 . . ?
C38A C57A C58A 118.9 . . ?
C38A C57A C56A 119.4 . . ?
C58A C57A C56A 109.8 . . ?
C59A C58A C69A 121.4 . . ?
C59A C58A C57A 121.8 . . ?
C69A C58A C57A 107.4 . . ?
C60A C59A C58A 115.5 . . ?
C60A C59A C40A 118.8 . . ?
C58A C59A C40A 118.7 . . ?
C61A C60A C59A 121.7 . . ?
C61A C60A C43A 108.1 . . ?
C59A C60A C43A 121.3 . . ?
C70A C61A C60A 121.3 . . ?
C70A C61A C62A 121.2 . . ?
C60A C61A C62A 108.6 . . ?
C63A C62A C44A 119.7 . . ?
C63A C62A C61A 120.6 . . ?
C44A C62A C61A 107.8 . . ?
C62A C63A C64A 119.4 . . ?
C62A C63A C47A 119.1 . . ?
C64A C63A C47A 110.1 . . ?
C65A C64A C63A 123.0 . . ?
C65A C64A C49A 120.2 . . ?
C63A C64A C49A 107.4 . . ?
C64A C65A C66A 117.9 . . ?
C64A C65A C70A 118.1 . . ?
C66A C65A C70A 117.1 . . ?
C65A C66A C51A 120.3 . . ?
C65A C66A C67A 121.5 . . ?
C51A C66A C67A 108.8 . . ?
C68A C67A C53A 120.5 . . ?
C68A C67A C66A 120.1 . . ?
C53A C67A C66A 107.6 . . ?
C67A C68A C69A 119.9 . . ?
C67A C68A C56A 119.3 . . ?
C69A C68A C56A 109.5 . . ?
C70A C69A C58A 121.1 . . ?
C70A C69A C68A 121.8 . . ?
C58A C69A C68A 108.0 . . ?
C69A C70A C61A 116.6 . . ?
C69A C70A C65A 119.3 . . ?
C61A C70A C65A 117.4 . . ?
C6B C1B C2B 121.0 . . ?
C6B C1B C9B 109.7 . . ?
C2B C1B C9B 120.3 . . ?
C3B C2B C1B 115.0 . . ?
C3B C2B C12B 118.7 . . ?
C1B C2B C12B 119.0 . . ?
C4B C3B C2B 123.2 . . ?
C4B C3B C15B 105.2 . . ?
C2B C3B C15B 122.4 . . ?
C5B C4B C3B 119.0 . . ?
C5B C4B C17B 122.0 . . ?
C3B C4B C17B 109.8 . . ?
C4B C5B C6B 118.0 . . ?
C4B C5B C20B 116.4 . . ?
C6B C5B C20B 118.4 . . ?
C1B C6B C5B 121.3 . . ?
C1B C6B C7B 106.3 . . ?
C5B C6B C7B 122.3 . . ?
C22B C7B C8B 119.4 . . ?
C22B C7B C6B 119.3 . . ?
C8B C7B C6B 110.4 . . ?
C25B C8B C7B 121.5 . . ?
C25B C8B C9B 119.5 . . ?
C7B C8B C9B 105.5 . . ?
C10B C9B C8B 119.1 . . ?
C10B C9B C1B 120.3 . . ?
C8B C9B C1B 108.0 . . ?
C9B C10B C11B 119.7 . . ?
C9B C10B C27B 120.5 . . ?
C11B C10B C27B 108.2 . . ?
C12B C11B C10B 121.7 . . ?
C12B C11B C29B 121.6 . . ?
C10B C11B C29B 107.5 . . ?
C13B C12B C11B 116.2 . . ?
C13B C12B C2B 118.5 . . ?
C11B C12B C2B 118.5 . . ?
C12B C13B C31B 122.4 . . ?
C12B C13B C14B 121.4 . . ?
C31B C13B C14B 107.4 . . ?
C15B C14B C13B 120.4 . . ?
C15B C14B C33B 119.7 . . ?
C13B C14B C33B 108.9 . . ?
C14B C15B C16B 119.3 . . ?
C14B C15B C3B 118.2 . . ?
C16B C15B C3B 110.6 . . ?
C35B C16B C17B 120.1 . . ?
C35B C16B C15B 121.2 . . ?
C17B C16B C15B 106.8 . . ?
C18B C17B C16B 118.8 . . ?
C18B C17B C4B 121.6 . . ?
C16B C17B C4B 107.6 . . ?
C17B C18B C19B 118.8 . . ?
C17B C18B C37B 121.2 . . ?
C19B C18B C37B 108.7 . . ?
C20B C19B C18B 121.4 . . ?
C20B C19B C39B 121.1 . . ?
C18B C19B C39B 108.3 . . ?
C21B C20B C19B 117.4 . . ?
C21B C20B C5B 116.9 . . ?
C19B C20B C5B 119.4 . . ?
C20B C21B C41B 120.7 . . ?
C20B C21B C22B 123.6 . . ?
C41B C21B C22B 107.2 . . ?
C7B C22B C21B 119.3 . . ?
C7B C22B C23B 119.1 . . ?
C21B C22B C23B 109.8 . . ?
C24B C23B C42B 121.4 . . ?
C24B C23B C22B 121.7 . . ?
C42B C23B C22B 104.9 . . ?
C23B C24B C45B 118.7 . . ?
C23B C24B C25B 118.8 . . ?
C45B C24B C25B 109.4 . . ?
C8B C25B C26B 121.9 . . ?
C8B C25B C24B 119.4 . . ?
C26B C25B C24B 106.3 . . ?
C27B C26B C25B 118.2 . . ?
C27B C26B C46B 120.3 . . ?
C25B C26B C46B 109.5 . . ?
C26B C27B C28B 118.3 . . ?
C26B C27B C10B 120.7 . . ?
C28B C27B C10B 107.7 . . ?
C48B C28B C29B 119.3 . . ?
C48B C28B C27B 121.8 . . ?
C29B C28B C27B 107.1 . . ?
C30B C29B C28B 121.8 . . ?
C30B C29B C11B 119.9 . . ?
C28B C29B C11B 109.4 . . ?
C29B C30B C31B 117.8 . . ?
C29B C30B C50B 118.0 . . ?
C31B C30B C50B 116.7 . . ?
C30B C31B C32B 122.4 . . ?
C30B C31B C13B 120.1 . . ?
C32B C31B C13B 109.5 . . ?
C52B C32B C31B 120.9 . . ?
C52B C32B C33B 119.2 . . ?
C31B C32B C33B 108.5 . . ?
C34B C33B C14B 121.3 . . ?
C34B C33B C32B 120.5 . . ?
C14B C33B C32B 105.8 . . ?
C33B C34B C35B 118.4 . . ?
C33B C34B C54B 119.1 . . ?
C35B C34B C54B 109.2 . . ?
C16B C35B C36B 121.1 . . ?
C16B C35B C34B 120.2 . . ?
C36B C35B C34B 106.6 . . ?
C37B C36B C35B 117.8 . . ?
C37B C36B C55B 119.8 . . ?
C35B C36B C55B 108.5 . . ?
C36B C37B C18B 120.9 . . ?
C36B C37B C38B 119.6 . . ?
C18B C37B C38B 106.9 . . ?
C57B C38B C39B 120.2 . . ?
C57B C38B C37B 120.5 . . ?
C39B C38B C37B 107.8 . . ?
C40B C39B C19B 120.1 . . ?
C40B C39B C38B 121.8 . . ?
C19B C39B C38B 108.5 . . ?
C39B C40B C41B 116.9 . . ?
C39B C40B C59B 118.5 . . ?
C41B C40B C59B 118.3 . . ?
C40B C41B C21B 121.6 . . ?
C40B C41B C42B 122.0 . . ?
C21B C41B C42B 108.1 . . ?
C43B C42B C23B 119.1 . . ?
C43B C42B C41B 119.4 . . ?
C23B C42B C41B 110.0 . . ?
C42B C43B C44B 120.1 . . ?
C42B C43B C60B 119.8 . . ?
C44B C43B C60B 109.3 . . ?
C45B C44B C43B 119.1 . . ?
C45B C44B C62B 122.7 . . ?
C43B C44B C62B 105.9 . . ?
C44B C45B C46B 118.2 . . ?
C44B C45B C24B 121.6 . . ?
C46B C45B C24B 107.9 . . ?
C47B C46B C45B 118.5 . . ?
C47B C46B C26B 121.5 . . ?
C45B C46B C26B 107.0 . . ?
C46B C47B C48B 118.8 . . ?
C46B C47B C63B 122.9 . . ?
C48B C47B C63B 104.9 . . ?
C28B C48B C49B 121.7 . . ?
C28B C48B C47B 119.4 . . ?
C49B C48B C47B 108.4 . . ?
C50B C49B C64B 120.4 . . ?
C50B C49B C48B 120.7 . . ?
C64B C49B C48B 109.3 . . ?
C49B C50B C51B 116.4 . . ?
C49B C50B C30B 118.3 . . ?
C51B C50B C30B 118.9 . . ?
C66B C51B C50B 122.5 . . ?
C66B C51B C52B 107.5 . . ?
C50B C51B C52B 121.9 . . ?
C32B C52B C53B 120.7 . . ?
C32B C52B C51B 118.8 . . ?
C53B C52B C51B 109.0 . . ?
C54B C53B C67B 121.6 . . ?
C54B C53B C52B 119.5 . . ?
C67B C53B C52B 106.7 . . ?
C53B C54B C55B 119.4 . . ?
C53B C54B C34B 121.0 . . ?
C55B C54B C34B 106.9 . . ?
C56B C55B C54B 119.2 . . ?
C56B C55B C36B 120.4 . . ?
C54B C55B C36B 108.8 . . ?
C55B C56B C57B 120.4 . . ?
C55B C56B C68B 120.9 . . ?
C57B C56B C68B 104.7 . . ?
C38B C57B C56B 119.3 . . ?
C38B C57B C58B 119.1 . . ?
C56B C57B C58B 109.8 . . ?
C69B C58B C59B 120.9 . . ?
C69B C58B C57B 108.1 . . ?
C59B C58B C57B 121.8 . . ?
C58B C59B C60B 116.0 . . ?
C58B C59B C40B 118.5 . . ?
C60B C59B C40B 118.7 . . ?
C61B C60B C59B 121.7 . . ?
C61B C60B C43B 108.0 . . ?
C59B C60B C43B 121.4 . . ?
C60B C61B C70B 120.6 . . ?
C60B C61B C62B 108.2 . . ?
C70B C61B C62B 122.2 . . ?
C63B C62B C44B 118.8 . . ?
C63B C62B C61B 120.5 . . ?
C44B C62B C61B 108.6 . . ?
C62B C63B C64B 118.5 . . ?
C62B C63B C47B 118.8 . . ?
C64B C63B C47B 111.0 . . ?
C65B C64B C63B 124.0 . . ?
C65B C64B C49B 120.2 . . ?
C63B C64B C49B 106.4 . . ?
C66B C65B C64B 118.7 . . ?
C66B C65B C70B 116.2 . . ?
C64B C65B C70B 118.1 . . ?
C65B C66B C51B 119.6 . . ?
C65B C66B C67B 122.4 . . ?
C51B C66B C67B 108.5 . . ?
C68B C67B C53B 119.8 . . ?
C68B C67B C66B 120.0 . . ?
C53B C67B C66B 108.2 . . ?
C67B C68B C69B 119.0 . . ?
C67B C68B C56B 119.0 . . ?
C69B C68B C56B 110.5 . . ?
C70B C69B C58B 121.0 . . ?
C70B C69B C68B 122.8 . . ?
C58B C69B C68B 107.0 . . ?
C69B C70B C61B 117.5 . . ?
C69B C70B C65B 119.3 . . ?
C61B C70B C65B 116.4 . . ?
P1 Co1 P4 176.66(5) . . ?
P1 Co1 P3 96.71(4) . . ?
P4 Co1 P3 82.67(4) . . ?
P1 Co1 P2 84.46(4) . . ?
P4 Co1 P2 95.62(4) . . ?
P3 Co1 P2 170.72(5) . . ?
P1 Co1 Cl1 89.43(4) . . ?
P4 Co1 Cl1 93.82(4) . . ?
P3 Co1 Cl1 87.69(4) . . ?
P2 Co1 Cl1 101.55(4) . . ?
C77 P1 C71 103.30(19) . . ?
C77 P1 C83 104.02(19) . . ?
C71 P1 C83 100.4(2) . . ?
C77 P1 Co1 124.14(15) . . ?
C71 P1 Co1 116.83(14) . . ?
C83 P1 Co1 105.00(15) . . ?
C85 P2 C91 103.1(2) . . ?
C85 P2 C84 105.8(2) . . ?
C91 P2 C84 99.66(19) . . ?
C85 P2 Co1 115.46(14) . . ?
C91 P2 Co1 123.01(15) . . ?
C84 P2 Co1 107.66(14) . . ?
C97 P3 C109 106.1(2) . . ?
C97 P3 C103 104.7(2) . . ?
C109 P3 C103 98.9(2) . . ?
C97 P3 Co1 112.53(15) . . ?
C109 P3 Co1 105.58(15) . . ?
C103 P3 Co1 126.63(15) . . ?
C111 P4 C117 105.3(2) . . ?
C111 P4 C110 104.4(2) . . ?
C117 P4 C110 100.5(2) . . ?
C111 P4 Co1 113.48(15) . . ?
C117 P4 Co1 123.28(16) . . ?
C110 P4 Co1 107.72(16) . . ?
C72 C71 C76 118.5(4) . . ?
C72 C71 P1 120.8(3) . . ?
C76 C71 P1 120.3(3) . . ?
C73 C72 C71 120.9(4) . . ?
C72 C73 C74 119.5(4) . . ?
C75 C74 C73 120.4(4) . . ?
C74 C75 C76 120.3(4) . . ?
C75 C76 C71 120.4(4) . . ?
C82 C77 C78 119.5(4) . . ?
C82 C77 P1 120.3(3) . . ?
C78 C77 P1 120.2(3) . . ?
C79 C78 C77 120.2(4) . . ?
C78 C79 C80 119.9(4) . . ?
C81 C80 C79 120.3(4) . . ?
C80 C81 C82 119.8(4) . . ?
C81 C82 C77 120.4(4) . . ?
C84 C83 P1 106.5(3) . . ?
C83 C84 P2 107.4(3) . . ?
C90 C85 C86 119.2(4) . . ?
C90 C85 P2 119.7(3) . . ?
C86 C85 P2 120.9(3) . . ?
C87 C86 C85 120.0(4) . . ?
C88 C87 C86 120.1(4) . . ?
C87 C88 C89 120.3(4) . . ?
C88 C89 C90 120.0(4) . . ?
C89 C90 C85 120.3(4) . . ?
C96 C91 C92 119.3(4) . . ?
C96 C91 P2 122.1(3) . . ?
C92 C91 P2 118.4(3) . . ?
C93 C92 C91 120.2(4) . . ?
C92 C93 C94 120.4(4) . . ?
C95 C94 C93 119.5(4) . . ?
C94 C95 C96 120.7(4) . . ?
C91 C96 C95 119.8(4) . . ?
C102 C97 C98 118.7(4) . . ?
C102 C97 P3 122.4(4) . . ?
C98 C97 P3 118.8(3) . . ?
C99 C98 C97 120.4(4) . . ?
C98 C99 C100 120.2(5) . . ?
C101 C100 C99 119.9(5) . . ?
C100 C101 C102 120.3(4) . . ?
C101 C102 C97 120.6(5) . . ?
C108 C103 C104 118.9(4) . . ?
C108 C103 P3 122.5(4) . . ?
C104 C103 P3 118.3(3) . . ?
C105 C104 C103 119.9(5) . . ?
C106 C105 C104 120.6(5) . . ?
C107 C106 C105 119.6(5) . . ?
C106 C107 C108 120.3(5) . . ?
C107 C108 C103 120.6(5) . . ?
C110 C109 P3 113.3(3) . . ?
C109 C110 P4 113.2(3) . . ?
C112 C111 C116 118.9(5) . . ?
C112 C111 P4 119.4(3) . . ?
C116 C111 P4 121.6(4) . . ?
C113 C112 C111 120.6(4) . . ?
C112 C113 C114 120.4(5) . . ?
C115 C114 C113 119.5(5) . . ?
C114 C115 C116 120.7(5) . . ?
C115 C116 C111 119.8(5) . . ?
C122 C117 C118 119.4(5) . . ?
C122 C117 P4 118.5(4) . . ?
C118 C117 P4 122.0(4) . . ?
C119 C118 C117 119.8(6) . . ?
C120 C119 C118 120.6(7) . . ?
C119 C120 C121 119.8(5) . . ?
C120 C121 C122 120.4(7) . . ?
C121 C122 C117 119.8(6) . . ?
C02 C01 C06 116(2) . . ?
C02 C01 Cl2 128.2(19) . . ?
C06 C01 Cl2 115.3(12) . . ?
C01 C02 C03 126(2) . . ?
C01 C02 Cl3 116(2) . . ?
C03 C02 Cl3 118.0(14) . . ?
C02 C03 C04 111.4(17) . . ?
C05 C04 C03 135.4(16) . . ?
C04 C05 C06 99.8(16) . . ?
C01 C06 C05 127.6(18) . . ?

_refine_diff_density_max         1.928
_refine_diff_density_min         -1.144
_refine_diff_density_rms         0.106


_exptl_crystal_recrystallization_method 
'Diffusion of hexane into o-dichlorobenzene solution'
_chemical_properties_physical    
'Air-sensitive, Moisture-sensitive, Oxygen-sensitive'
_exptl_crystal_preparation       'Magnetic properties'
