#------------------------------------------------------------------------------
#$Date: 2016-03-23 03:45:23 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179261 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/81/4318196.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4318196
loop_
_publ_author_name
'Dmitri V. Konarev'
'Andrey Yu. Kovalevsky'
'Xue Li'
'Ivan S. Neretin'
'Alexey L. Litvinov'
'Natal'ya V. Drichko'
'Yury L. Slovokhotov'
'Philip Coppens'
'Rimma N. Lyubovskaya'
_publ_section_title
;
 Synthesis and Structure of Multicomponent Crystals of Fullerenes and
 Metal Tetraarylporphyrins
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3638
_journal_page_last               3646
_journal_paper_doi               10.1021/ic011312l
_journal_volume                  41
_journal_year                    2002
_chemical_formula_sum            'C108 H36 Co N4 O4'
_chemical_formula_weight         1512.34
_chemical_melting_point          ?
_chemical_name_common            'CoTMPP C60'
_chemical_name_systematic
;
  C60 fullerene cobalt tetrakis(4-methoxy-phenyl)porphyrinate
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.6170(10)
_cell_angle_beta                 110.3760(10)
_cell_angle_gamma                96.7200(10)
_cell_formula_units_Z            2
_cell_length_a                   13.1109(7)
_cell_length_b                   15.3467(8)
_cell_length_c                   16.4652(8)
_cell_measurement_reflns_used    723
_cell_measurement_temperature    90.0(1)
_cell_measurement_theta_max      50
_cell_measurement_theta_min      1
_cell_volume                     3079.6(3)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      90.0(1)
_diffrn_measured_fraction_theta_full 0.872
_diffrn_measured_fraction_theta_max 0.872
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0592
_diffrn_reflns_av_sigmaI/netI    0.1166
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            34453
_diffrn_reflns_theta_full        30.14
_diffrn_reflns_theta_max         30.14
_diffrn_reflns_theta_min         1.34
_exptl_absorpt_coefficient_mu    0.356
_exptl_absorpt_correction_T_max  0.9824
_exptl_absorpt_correction_T_min  0.8707
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.631
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1542
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.287
_refine_diff_density_min         -0.794
_refine_diff_density_rms         0.072
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.892
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1058
_refine_ls_number_reflns         15864
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.892
_refine_ls_R_factor_all          0.1056
_refine_ls_R_factor_gt           0.0495
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         <0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0426P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0982
_refine_ls_wR_factor_ref         0.1133
_reflns_number_gt                9011
_reflns_number_total             15864
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic011312l_4.cif
_cod_data_source_block           dima11
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value 'not measured' was changed to '?' -
the value is undefined or not given.

Automatic conversion script
Id: cif_fix_values 1569 2011-02-09 13:29:24Z adriana 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_database_code               4318196
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Co1 Co 0.77750(3) 0.77405(2) 1.71973(2) 0.01433(8) Uani 1 1 d . . .
O1 O 0.60170(13) 0.19672(11) 1.55475(11) 0.0190(4) Uani 1 1 d . . .
O2 O 1.00504(14) 0.65227(12) 2.28532(11) 0.0228(4) Uani 1 1 d . . .
O3 O 0.61580(14) 1.31635(11) 1.79547(12) 0.0232(4) Uani 1 1 d . . .
O4 O 0.88608(14) 0.91638(11) 1.22353(11) 0.0198(4) Uani 1 1 d . . .
N1 N 0.75529(15) 0.70674(13) 1.61338(13) 0.0134(4) Uani 1 1 d . . .
N2 N 0.78107(15) 0.66704(13) 1.78131(13) 0.0141(4) Uani 1 1 d . . .
N3 N 0.80073(15) 0.84315(13) 1.82564(13) 0.0144(4) Uani 1 1 d . . .
N4 N 0.76981(15) 0.88031(13) 1.65719(13) 0.0140(4) Uani 1 1 d . . .
C1 C 0.73012(18) 0.61690(16) 1.59819(16) 0.0149(5) Uani 1 1 d . . .
C2 C 0.73421(19) 0.59129(16) 1.51573(16) 0.0170(5) Uani 1 1 d . . .
H2A H 0.7178 0.5333 1.4898 0.020 Uiso 1 1 calc R . .
C3 C 0.7656(2) 0.66446(16) 1.48167(16) 0.0173(5) Uani 1 1 d . . .
H3A H 0.7786 0.6674 1.4284 0.021 Uiso 1 1 calc R . .
C4 C 0.77579(18) 0.73720(16) 1.54071(16) 0.0146(5) Uani 1 1 d . . .
C5 C 0.79378(18) 0.82547(16) 1.52517(15) 0.0155(5) Uani 1 1 d . . .
C6 C 0.78049(18) 0.89153(15) 1.57765(15) 0.0144(5) Uani 1 1 d . . .
C7 C 0.76213(19) 0.97917(16) 1.55086(16) 0.0169(5) Uani 1 1 d . . .
H7A H 0.7672 1.0036 1.4994 0.020 Uiso 1 1 calc R . .
C8 C 0.73623(19) 1.02002(16) 1.61321(16) 0.0178(5) Uani 1 1 d . . .
H8A H 0.7159 1.0775 1.6123 0.021 Uiso 1 1 calc R . .
C9 C 0.74534(19) 0.95981(16) 1.68088(16) 0.0159(5) Uani 1 1 d . . .
C10 C 0.74778(19) 0.98347(16) 1.76315(16) 0.0159(5) Uani 1 1 d . . .
C11 C 0.78548(19) 0.93016(16) 1.83249(16) 0.0156(5) Uani 1 1 d . . .
C12 C 0.8168(2) 0.95795(17) 1.92207(16) 0.0216(6) Uani 1 1 d . . .
H12A H 0.8118 1.0141 1.9441 0.026 Uiso 1 1 calc R . .
C13 C 0.8546(2) 0.89002(17) 1.96938(17) 0.0236(6) Uani 1 1 d . . .
H13A H 0.8857 0.8904 2.0309 0.028 Uiso 1 1 calc R . .
C14 C 0.83911(19) 0.81683(16) 1.90931(16) 0.0171(5) Uani 1 1 d . . .
C15 C 0.84669(19) 0.72960(16) 1.93187(16) 0.0152(5) Uani 1 1 d . . .
C16 C 0.81040(18) 0.65933(16) 1.86951(15) 0.0142(5) Uani 1 1 d . . .
C17 C 0.79026(19) 0.56921(16) 1.88821(16) 0.0174(5) Uani 1 1 d . . .
H17A H 0.8051 0.5468 1.9442 0.021 Uiso 1 1 calc R . .
C18 C 0.74643(19) 0.52231(17) 1.81176(16) 0.0176(5) Uani 1 1 d . . .
H18A H 0.7223 0.4610 1.8035 0.021 Uiso 1 1 calc R . .
C19 C 0.74310(18) 0.58253(16) 1.74509(16) 0.0145(5) Uani 1 1 d . . .
C20 C 0.71511(18) 0.55795(15) 1.65772(16) 0.0144(5) Uani 1 1 d . . .
C21 C 0.68109(19) 0.46290(16) 1.62909(15) 0.0149(5) Uani 1 1 d . . .
C22 C 0.57228(19) 0.42943(16) 1.58732(16) 0.0171(5) Uani 1 1 d . . .
H22A H 0.5175 0.4676 1.5766 0.020 Uiso 1 1 calc R . .
C23 C 0.54140(19) 0.34093(16) 1.56059(16) 0.0171(5) Uani 1 1 d . . .
H23A H 0.4663 0.3191 1.5312 0.021 Uiso 1 1 calc R . .
C24 C 0.6212(2) 0.28480(15) 1.57717(15) 0.0149(5) Uani 1 1 d . . .
C25 C 0.73101(19) 0.31785(16) 1.61890(16) 0.0167(5) Uani 1 1 d . . .
H25A H 0.7858 0.2797 1.6300 0.020 Uiso 1 1 calc R . .
C26 C 0.76036(19) 0.40562(16) 1.64405(16) 0.0170(5) Uani 1 1 d . . .
H26A H 0.8356 0.4277 1.6720 0.020 Uiso 1 1 calc R . .
C27 C 0.88364(19) 0.70822(16) 2.02451(15) 0.0157(5) Uani 1 1 d . . .
C28 C 0.9705(2) 0.65888(17) 2.05851(16) 0.0195(5) Uani 1 1 d . . .
H28A H 1.0048 0.6380 2.0212 0.023 Uiso 1 1 calc R . .
C29 C 1.00779(19) 0.63968(17) 2.14464(16) 0.0200(6) Uani 1 1 d . . .
H29A H 1.0664 0.6053 2.1660 0.024 Uiso 1 1 calc R . .
C30 C 0.95950(19) 0.67072(16) 2.20026(16) 0.0179(5) Uani 1 1 d . . .
C31 C 0.8700(2) 0.71565(16) 2.16770(16) 0.0199(5) Uani 1 1 d . . .
H31A H 0.8336 0.7339 2.2046 0.024 Uiso 1 1 calc R . .
C32 C 0.8331(2) 0.73417(16) 2.08031(16) 0.0192(5) Uani 1 1 d . . .
H32A H 0.7717 0.7655 2.0584 0.023 Uiso 1 1 calc R . .
C33 C 0.7135(2) 1.06989(16) 1.77630(16) 0.0165(5) Uani 1 1 d . . .
C34 C 0.6030(2) 1.08101(17) 1.74101(16) 0.0194(5) Uani 1 1 d . . .
H34A H 0.5512 1.0323 1.7112 0.023 Uiso 1 1 calc R . .
C35 C 0.5662(2) 1.16066(17) 1.74784(17) 0.0203(5) Uani 1 1 d . . .
H35A H 0.4899 1.1654 1.7252 0.024 Uiso 1 1 calc R . .
C36 C 0.6404(2) 1.23301(16) 1.78757(16) 0.0185(5) Uani 1 1 d . . .
C37 C 0.7515(2) 1.22360(17) 1.82343(17) 0.0215(6) Uani 1 1 d . . .
H37A H 0.8032 1.2731 1.8512 0.026 Uiso 1 1 calc R . .
C38 C 0.7870(2) 1.14355(17) 1.81907(17) 0.0203(6) Uani 1 1 d . . .
H38A H 0.8628 1.1381 1.8455 0.024 Uiso 1 1 calc R . .
C39 C 0.81864(19) 0.85042(15) 1.44630(16) 0.0156(5) Uani 1 1 d . . .
C40 C 0.74253(19) 0.83062(16) 1.36278(16) 0.0173(5) Uani 1 1 d . . .
H40A H 0.6727 0.7996 1.3558 0.021 Uiso 1 1 calc R . .
C41 C 0.76557(19) 0.85472(16) 1.29007(16) 0.0178(5) Uani 1 1 d . . .
H41A H 0.7112 0.8424 1.2340 0.021 Uiso 1 1 calc R . .
C42 C 0.8695(2) 0.89743(16) 1.29948(16) 0.0166(5) Uani 1 1 d . . .
C43 C 0.9470(2) 0.91759(16) 1.38136(16) 0.0179(5) Uani 1 1 d . . .
H43A H 1.0178 0.9466 1.3880 0.021 Uiso 1 1 calc R . .
C44 C 0.9206(2) 0.89514(16) 1.45409(16) 0.0168(5) Uani 1 1 d . . .
H44A H 0.9734 0.9107 1.5103 0.020 Uiso 1 1 calc R . .
C45 C 0.4901(2) 0.15907(17) 1.51346(18) 0.0238(6) Uani 1 1 d . . .
H45A H 0.4872 0.0965 1.4991 0.036 Uiso 1 1 calc R . .
H45B H 0.4568 0.1890 1.4602 0.036 Uiso 1 1 calc R . .
H45C H 0.4497 0.1658 1.5527 0.036 Uiso 1 1 calc R . .
C46 C 0.9552(2) 0.67889(19) 2.34425(17) 0.0277(6) Uani 1 1 d . . .
H46A H 0.9916 0.6568 2.4014 0.042 Uiso 1 1 calc R . .
H46B H 0.8773 0.6549 2.3228 0.042 Uiso 1 1 calc R . .
H46C H 0.9622 0.7432 2.3490 0.042 Uiso 1 1 calc R . .
C47 C 0.5038(2) 1.32917(18) 1.76709(19) 0.0260(6) Uani 1 1 d . . .
H47A H 0.4980 1.3907 1.7793 0.039 Uiso 1 1 calc R . .
H47B H 0.4659 1.2909 1.7978 0.039 Uiso 1 1 calc R . .
H47C H 0.4701 1.3148 1.7045 0.039 Uiso 1 1 calc R . .
C48 C 0.9964(2) 0.94591(18) 1.23058(17) 0.0236(6) Uani 1 1 d . . .
H48A H 0.9991 0.9559 1.1727 0.035 Uiso 1 1 calc R . .
H48B H 1.0433 0.9012 1.2573 0.035 Uiso 1 1 calc R . .
H48C H 1.0224 1.0009 1.2666 0.035 Uiso 1 1 calc R . .
C49 C 0.8073(2) 1.08062(19) 1.2744(2) 0.0327(7) Uani 1 1 d . . .
C50 C 0.6334(2) 1.3771(2) 1.36576(19) 0.0325(7) Uani 1 1 d . . .
C51 C 0.7776(3) 1.1804(2) 1.0387(2) 0.0343(7) Uani 1 1 d . . .
C52 C 0.6030(2) 1.47875(19) 1.1303(2) 0.0329(7) Uani 1 1 d . . .
C53 C 0.9459(2) 1.3812(2) 1.36521(19) 0.0330(7) Uani 1 1 d . . .
C54 C 0.6570(2) 1.3233(2) 0.98344(17) 0.0305(7) Uani 1 1 d . . .
C55 C 0.7158(3) 1.07007(19) 1.1143(2) 0.0349(7) Uani 1 1 d . . .
C56 C 0.9108(2) 1.3171(2) 1.41038(18) 0.0330(7) Uani 1 1 d . . .
C57 C 0.6148(2) 1.05565(17) 1.21523(19) 0.0264(6) Uani 1 1 d . . .
C58 C 0.8251(2) 1.41278(19) 1.07733(18) 0.0272(6) Uani 1 1 d . . .
C59 C 0.8094(2) 1.3229(2) 1.42906(17) 0.0306(7) Uani 1 1 d . . .
C60 C 0.6598(3) 1.1651(2) 1.00261(19) 0.0359(7) Uani 1 1 d . . .
C61 C 0.6471(2) 1.08780(18) 1.30429(19) 0.0280(6) Uani 1 1 d . . .
C62 C 0.4645(2) 1.1763(2) 1.0391(2) 0.0343(7) Uani 1 1 d . . .
C63 C 0.4996(2) 1.2406(2) 0.99426(19) 0.0356(7) Uani 1 1 d . . .
C64 C 0.7123(2) 1.04989(18) 1.1944(2) 0.0308(7) Uani 1 1 d . . .
C65 C 0.7510(3) 1.3923(2) 1.40198(19) 0.0326(7) Uani 1 1 d . . .
C66 C 0.5227(2) 1.08102(18) 1.1525(2) 0.0289(7) Uani 1 1 d . . .
C67 C 0.4515(2) 1.3209(2) 1.2144(2) 0.0322(7) Uani 1 1 d . . .
C68 C 0.8146(3) 1.1219(2) 1.1088(2) 0.0361(8) Uani 1 1 d . . .
C69 C 0.6016(3) 1.2343(2) 0.97514(18) 0.0342(7) Uani 1 1 d . . .
C70 C 0.9878(2) 1.35798(19) 1.29851(19) 0.0285(7) Uani 1 1 d . . .
C71 C 0.5081(2) 1.4075(2) 1.2222(2) 0.0338(7) Uani 1 1 d . . .
C72 C 0.9916(2) 1.2696(2) 1.2791(2) 0.0315(7) Uani 1 1 d . . .
C73 C 0.7883(3) 1.46071(19) 1.35405(19) 0.0329(7) Uani 1 1 d . . .
C74 C 0.9521(2) 1.41657(19) 1.22895(19) 0.0288(7) Uani 1 1 d . . .
C75 C 0.8324(2) 1.2646(2) 1.04663(18) 0.0297(7) Uani 1 1 d . . .
C76 C 0.6444(2) 1.45446(19) 1.06300(19) 0.0292(7) Uani 1 1 d . . .
C77 C 0.6223(3) 1.09668(19) 1.0503(2) 0.0348(7) Uani 1 1 d . . .
C78 C 0.8982(2) 1.1281(2) 1.2684(2) 0.0329(7) Uani 1 1 d . . .
C79 C 0.4233(2) 1.2003(2) 1.10592(19) 0.0290(7) Uani 1 1 d . . .
C80 C 0.9148(2) 1.22717(19) 1.39140(17) 0.0272(6) Uani 1 1 d . . .
C81 C 0.5854(2) 1.14498(19) 1.32679(18) 0.0269(6) Uani 1 1 d . . .
C82 C 0.4590(2) 1.1406(2) 1.1754(2) 0.0300(7) Uani 1 1 d . . .
C83 C 0.4202(2) 1.2880(2) 1.1257(2) 0.0333(7) Uani 1 1 d . . .
C84 C 0.7705(2) 1.33830(19) 1.01787(18) 0.0273(6) Uani 1 1 d . . .
C85 C 0.6943(3) 1.48731(19) 1.2897(2) 0.0336(7) Uani 1 1 d . . .
C86 C 0.7539(2) 1.2347(2) 1.42194(17) 0.0282(6) Uani 1 1 d . . .
C87 C 0.5274(2) 1.10227(19) 1.0674(2) 0.0320(7) Uani 1 1 d . . .
C88 C 0.7630(2) 1.47025(18) 1.10004(18) 0.0286(6) Uani 1 1 d . . .
C89 C 0.5935(2) 1.3829(2) 1.00625(18) 0.0299(7) Uani 1 1 d . . .
C90 C 0.4958(2) 1.3320(2) 1.01317(18) 0.0301(7) Uani 1 1 d . . .
C91 C 0.9023(2) 1.1499(2) 1.1821(2) 0.0348(7) Uani 1 1 d . . .
C92 C 0.9599(2) 1.2366(2) 1.1911(2) 0.0329(7) Uani 1 1 d . . .
C93 C 0.8835(2) 1.45475(18) 1.33667(19) 0.0294(7) Uani 1 1 d . . .
C94 C 0.9255(2) 1.2928(2) 1.12407(19) 0.0270(6) Uani 1 1 d . . .
C95 C 0.8177(2) 1.1761(2) 1.39856(18) 0.0289(7) Uani 1 1 d . . .
C96 C 0.4895(2) 1.17188(19) 1.26079(19) 0.0276(6) Uani 1 1 d . . .
C97 C 0.4576(2) 1.3564(2) 1.07736(19) 0.0289(7) Uani 1 1 d . . .
C98 C 0.7950(2) 1.50226(17) 1.18874(18) 0.0264(6) Uani 1 1 d . . .
C99 C 0.5118(2) 1.4298(2) 1.1364(2) 0.0346(7) Uani 1 1 d . . .
C100 C 0.6403(2) 1.22014(19) 1.38657(17) 0.0256(6) Uani 1 1 d . . .
C101 C 0.8873(2) 1.47574(17) 1.25147(19) 0.0269(6) Uani 1 1 d . . .
C102 C 0.9530(2) 1.20198(19) 1.32742(19) 0.0268(6) Uani 1 1 d . . .
C103 C 0.5968(3) 1.4364(2) 1.2962(2) 0.0335(7) Uani 1 1 d . . .
C104 C 0.6975(2) 1.50778(17) 1.2089(2) 0.0284(6) Uani 1 1 d . . .
C105 C 0.7660(2) 1.10401(18) 1.34140(19) 0.0275(6) Uani 1 1 d . . .
C106 C 0.4843(2) 1.26397(19) 1.28136(19) 0.0277(6) Uani 1 1 d . . .
C107 C 0.5784(2) 1.29288(19) 1.35858(18) 0.0265(6) Uani 1 1 d . . .
C108 C 0.9220(2) 1.3859(2) 1.14370(19) 0.0282(7) Uani 1 1 d . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
N4 Co1 N2 178.51(8) . . ?
N4 Co1 N1 89.32(8) . . ?
N2 Co1 N1 90.48(8) . . ?
N4 Co1 N3 89.87(8) . . ?
N2 Co1 N3 90.35(8) . . ?
N1 Co1 N3 179.09(9) . . ?
C24 O1 C45 117.31(19) . . ?
C30 O2 C46 118.1(2) . . ?
C36 O3 C47 118.0(2) . . ?
C42 O4 C48 116.29(19) . . ?
C1 N1 C4 105.24(19) . . ?
C1 N1 Co1 127.23(16) . . ?
C4 N1 Co1 127.02(16) . . ?
C16 N2 C19 105.28(19) . . ?
C16 N2 Co1 127.61(16) . . ?
C19 N2 Co1 126.78(16) . . ?
C14 N3 C11 105.8(2) . . ?
C14 N3 Co1 127.32(16) . . ?
C11 N3 Co1 126.90(16) . . ?
C6 N4 C9 105.49(19) . . ?
C6 N4 Co1 127.57(16) . . ?
C9 N4 Co1 126.83(16) . . ?
N1 C1 C20 125.4(2) . . ?
N1 C1 C2 110.3(2) . . ?
C20 C1 C2 124.0(2) . . ?
C3 C2 C1 107.3(2) . . ?
C2 C3 C4 107.3(2) . . ?
N1 C4 C5 124.3(2) . . ?
N1 C4 C3 109.7(2) . . ?
C5 C4 C3 125.7(2) . . ?
C4 C5 C6 121.7(2) . . ?
C4 C5 C39 119.6(2) . . ?
C6 C5 C39 118.5(2) . . ?
N4 C6 C5 125.3(2) . . ?
N4 C6 C7 110.4(2) . . ?
C5 C6 C7 123.9(2) . . ?
C8 C7 C6 106.8(2) . . ?
C7 C8 C9 107.0(2) . . ?
N4 C9 C10 124.9(2) . . ?
N4 C9 C8 110.2(2) . . ?
C10 C9 C8 124.1(2) . . ?
C9 C10 C11 121.5(2) . . ?
C9 C10 C33 117.9(2) . . ?
C11 C10 C33 120.6(2) . . ?
N3 C11 C10 125.4(2) . . ?
N3 C11 C12 109.6(2) . . ?
C10 C11 C12 125.0(2) . . ?
C13 C12 C11 107.5(2) . . ?
C12 C13 C14 107.0(2) . . ?
N3 C14 C15 124.7(2) . . ?
N3 C14 C13 109.9(2) . . ?
C15 C14 C13 124.8(2) . . ?
C14 C15 C16 122.1(2) . . ?
C14 C15 C27 120.1(2) . . ?
C16 C15 C27 117.5(2) . . ?
N2 C16 C15 125.2(2) . . ?
N2 C16 C17 110.2(2) . . ?
C15 C16 C17 124.4(2) . . ?
C18 C17 C16 107.3(2) . . ?
C17 C18 C19 107.0(2) . . ?
N2 C19 C20 125.0(2) . . ?
N2 C19 C18 110.2(2) . . ?
C20 C19 C18 124.6(2) . . ?
C1 C20 C19 122.1(2) . . ?
C1 C20 C21 118.6(2) . . ?
C19 C20 C21 118.8(2) . . ?
C22 C21 C26 118.4(2) . . ?
C22 C21 C20 121.7(2) . . ?
C26 C21 C20 119.9(2) . . ?
C21 C22 C23 121.3(2) . . ?
C24 C23 C22 119.5(2) . . ?
O1 C24 C23 125.2(2) . . ?
O1 C24 C25 115.0(2) . . ?
C23 C24 C25 119.7(2) . . ?
C26 C25 C24 120.1(2) . . ?
C25 C26 C21 121.0(2) . . ?
C32 C27 C28 117.2(2) . . ?
C32 C27 C15 122.2(2) . . ?
C28 C27 C15 120.6(2) . . ?
C29 C28 C27 121.7(2) . . ?
C28 C29 C30 119.8(2) . . ?
O2 C30 C31 124.4(2) . . ?
O2 C30 C29 115.9(2) . . ?
C31 C30 C29 119.7(2) . . ?
C30 C31 C32 119.5(2) . . ?
C27 C32 C31 121.8(2) . . ?
C34 C33 C38 117.0(2) . . ?
C34 C33 C10 119.3(2) . . ?
C38 C33 C10 123.6(2) . . ?
C35 C34 C33 122.2(2) . . ?
C36 C35 C34 119.8(2) . . ?
O3 C36 C35 125.9(2) . . ?
O3 C36 C37 115.0(2) . . ?
C35 C36 C37 119.1(2) . . ?
C38 C37 C36 120.8(2) . . ?
C37 C38 C33 121.1(2) . . ?
C44 C39 C40 117.5(2) . . ?
C44 C39 C5 120.3(2) . . ?
C40 C39 C5 122.2(2) . . ?
C41 C40 C39 122.0(2) . . ?
C40 C41 C42 119.4(2) . . ?
O4 C42 C43 124.7(2) . . ?
O4 C42 C41 115.3(2) . . ?
C43 C42 C41 119.9(2) . . ?
C42 C43 C44 119.6(2) . . ?
C39 C44 C43 121.5(2) . . ?
C78 C49 C105 120.0(3) . . ?
C78 C49 C64 120.1(3) . . ?
C105 C49 C64 108.6(3) . . ?
C107 C50 C65 120.4(3) . . ?
C107 C50 C103 120.2(3) . . ?
C65 C50 C103 108.2(3) . . ?
C75 C51 C60 120.5(3) . . ?
C75 C51 C68 119.3(3) . . ?
C60 C51 C68 108.3(3) . . ?
C99 C52 C76 119.2(3) . . ?
C99 C52 C104 120.2(3) . . ?
C76 C52 C104 107.9(3) . . ?
C56 C53 C70 120.3(3) . . ?
C56 C53 C93 119.8(3) . . ?
C70 C53 C93 108.1(3) . . ?
C84 C54 C89 119.9(3) . . ?
C84 C54 C69 119.5(3) . . ?
C89 C54 C69 109.3(3) . . ?
C64 C55 C77 119.8(3) . . ?
C64 C55 C68 119.2(3) . . ?
C77 C55 C68 108.7(3) . . ?
C53 C56 C80 120.0(3) . . ?
C53 C56 C59 119.6(3) . . ?
C80 C56 C59 108.0(3) . . ?
C66 C57 C61 120.5(3) . . ?
C66 C57 C64 119.2(3) . . ?
C61 C57 C64 108.9(3) . . ?
C88 C58 C84 119.7(3) . . ?
C88 C58 C108 120.0(3) . . ?
C84 C58 C108 108.2(3) . . ?
C65 C59 C86 120.8(3) . . ?
C65 C59 C56 120.3(3) . . ?
C86 C59 C56 107.4(3) . . ?
C69 C60 C51 119.6(3) . . ?
C69 C60 C77 120.4(3) . . ?
C51 C60 C77 108.1(3) . . ?
C81 C61 C57 119.3(3) . . ?
C81 C61 C105 119.3(3) . . ?
C57 C61 C105 109.1(2) . . ?
C63 C62 C79 119.7(3) . . ?
C63 C62 C87 119.7(3) . . ?
C79 C62 C87 108.5(3) . . ?
C62 C63 C90 120.6(3) . . ?
C62 C63 C69 119.3(3) . . ?
C90 C63 C69 108.0(3) . . ?
C55 C64 C57 121.3(3) . . ?
C55 C64 C49 120.2(3) . . ?
C57 C64 C49 106.4(3) . . ?
C59 C65 C50 119.7(3) . . ?
C59 C65 C73 120.3(3) . . ?
C50 C65 C73 107.8(3) . . ?
C57 C66 C82 120.4(3) . . ?
C57 C66 C87 119.0(3) . . ?
C82 C66 C87 108.2(3) . . ?
C106 C67 C71 120.5(3) . . ?
C106 C67 C83 119.7(3) . . ?
C71 C67 C83 108.1(3) . . ?
C91 C68 C51 120.3(3) . . ?
C91 C68 C55 120.8(3) . . ?
C51 C68 C55 106.8(3) . . ?
C60 C69 C54 121.0(3) . . ?
C60 C69 C63 120.2(3) . . ?
C54 C69 C63 106.4(3) . . ?
C72 C70 C74 119.7(3) . . ?
C72 C70 C53 120.1(3) . . ?
C74 C70 C53 108.1(3) . . ?
C103 C71 C67 120.6(3) . . ?
C103 C71 C99 119.7(3) . . ?
C67 C71 C99 108.1(3) . . ?
C70 C72 C92 120.7(3) . . ?
C70 C72 C102 118.9(3) . . ?
C92 C72 C102 108.1(3) . . ?
C93 C73 C85 120.7(3) . . ?
C93 C73 C65 119.1(3) . . ?
C85 C73 C65 108.2(3) . . ?
C108 C74 C101 119.0(3) . . ?
C108 C74 C70 120.4(3) . . ?
C101 C74 C70 108.4(3) . . ?
C51 C75 C94 119.7(3) . . ?
C51 C75 C84 119.9(3) . . ?
C94 C75 C84 108.8(2) . . ?
C89 C76 C88 120.1(3) . . ?
C89 C76 C52 120.7(3) . . ?
C88 C76 C52 107.1(3) . . ?
C87 C77 C55 120.7(3) . . ?
C87 C77 C60 119.4(3) . . ?
C55 C77 C60 108.1(3) . . ?
C49 C78 C102 120.5(3) . . ?
C49 C78 C91 119.8(3) . . ?
C102 C78 C91 107.7(3) . . ?
C83 C79 C62 120.5(3) . . ?
C83 C79 C82 119.9(3) . . ?
C62 C79 C82 107.6(3) . . ?
C102 C80 C56 121.5(3) . . ?
C102 C80 C95 118.7(3) . . ?
C56 C80 C95 107.8(3) . . ?
C61 C81 C100 119.8(3) . . ?
C61 C81 C96 120.0(3) . . ?
C100 C81 C96 108.0(3) . . ?
C96 C82 C66 119.5(3) . . ?
C96 C82 C79 119.5(3) . . ?
C66 C82 C79 108.8(3) . . ?
C79 C83 C67 120.9(3) . . ?
C79 C83 C97 119.5(3) . . ?
C67 C83 C97 108.2(3) . . ?
C54 C84 C58 120.3(3) . . ?
C54 C84 C75 119.4(3) . . ?
C58 C84 C75 108.1(2) . . ?
C104 C85 C73 119.9(3) . . ?
C104 C85 C103 119.6(3) . . ?
C73 C85 C103 108.5(3) . . ?
C100 C86 C95 120.0(3) . . ?
C100 C86 C59 119.4(3) . . ?
C95 C86 C59 108.0(3) . . ?
C77 C87 C66 120.0(3) . . ?
C77 C87 C62 121.0(3) . . ?
C66 C87 C62 106.9(3) . . ?
C58 C88 C98 119.4(3) . . ?
C58 C88 C76 119.5(3) . . ?
C98 C88 C76 109.0(3) . . ?
C76 C89 C54 120.5(3) . . ?
C76 C89 C90 119.3(3) . . ?
C54 C89 C90 108.3(3) . . ?
C97 C90 C63 120.7(3) . . ?
C97 C90 C89 119.0(3) . . ?
C63 C90 C89 108.0(3) . . ?
C68 C91 C92 121.0(3) . . ?
C68 C91 C78 119.9(3) . . ?
C92 C91 C78 107.3(3) . . ?
C94 C92 C91 119.1(3) . . ?
C94 C92 C72 119.6(3) . . ?
C91 C92 C72 109.1(3) . . ?
C73 C93 C53 120.9(3) . . ?
C73 C93 C101 119.6(3) . . ?
C53 C93 C101 107.4(3) . . ?
C92 C94 C75 120.6(3) . . ?
C92 C94 C108 120.1(3) . . ?
C75 C94 C108 107.4(2) . . ?
C105 C95 C86 120.1(3) . . ?
C105 C95 C80 119.5(3) . . ?
C86 C95 C80 108.8(3) . . ?
C82 C96 C81 120.3(3) . . ?
C82 C96 C106 120.4(3) . . ?
C81 C96 C106 107.8(2) . . ?
C90 C97 C99 121.1(3) . . ?
C90 C97 C83 119.0(3) . . ?
C99 C97 C83 107.8(3) . . ?
C101 C98 C88 120.0(3) . . ?
C101 C98 C104 119.5(3) . . ?
C88 C98 C104 108.6(3) . . ?
C52 C99 C97 120.6(3) . . ?
C52 C99 C71 119.8(3) . . ?
C97 C99 C71 107.8(3) . . ?
C86 C100 C107 120.1(3) . . ?
C86 C100 C81 120.3(3) . . ?
C107 C100 C81 108.2(2) . . ?
C98 C101 C74 121.2(3) . . ?
C98 C101 C93 119.4(3) . . ?
C74 C101 C93 108.1(3) . . ?
C80 C102 C78 121.2(3) . . ?
C80 C102 C72 119.1(3) . . ?
C78 C102 C72 107.8(3) . . ?
C71 C103 C50 119.4(3) . . ?
C71 C103 C85 120.5(3) . . ?
C50 C103 C85 107.3(3) . . ?
C85 C104 C98 120.8(3) . . ?
C85 C104 C52 120.2(3) . . ?
C98 C104 C52 107.4(3) . . ?
C95 C105 C49 120.2(3) . . ?
C95 C105 C61 120.4(3) . . ?
C49 C105 C61 107.1(3) . . ?
C67 C106 C107 119.4(3) . . ?
C67 C106 C96 119.5(3) . . ?
C107 C106 C96 107.5(2) . . ?
C50 C107 C100 119.6(3) . . ?
C50 C107 C106 119.8(3) . . ?
C100 C107 C106 108.6(2) . . ?
C74 C108 C58 120.4(3) . . ?
C74 C108 C94 119.5(3) . . ?
C58 C108 C94 107.5(2) . . ?
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 N4 1.932(2) . ?
Co1 N2 1.936(2) . ?
Co1 N1 1.937(2) . ?
Co1 N3 1.943(2) . ?
O1 C24 1.368(3) . ?
O1 C45 1.427(3) . ?
O2 C30 1.365(3) . ?
O2 C46 1.425(3) . ?
O3 C36 1.371(3) . ?
O3 C47 1.416(3) . ?
O4 C42 1.370(3) . ?
O4 C48 1.428(3) . ?
N1 C1 1.379(3) . ?
N1 C4 1.389(3) . ?
N2 C16 1.377(3) . ?
N2 C19 1.382(3) . ?
N3 C14 1.375(3) . ?
N3 C11 1.382(3) . ?
N4 C6 1.375(3) . ?
N4 C9 1.383(3) . ?
C1 C20 1.389(3) . ?
C1 C2 1.430(3) . ?
C2 C3 1.346(3) . ?
C3 C4 1.435(3) . ?
C4 C5 1.390(3) . ?
C5 C6 1.390(3) . ?
C5 C39 1.488(3) . ?
C6 C7 1.441(3) . ?
C7 C8 1.357(3) . ?
C8 C9 1.437(3) . ?
C9 C10 1.387(3) . ?
C10 C11 1.392(3) . ?
C10 C33 1.486(3) . ?
C11 C12 1.432(3) . ?
C12 C13 1.345(4) . ?
C13 C14 1.437(4) . ?
C14 C15 1.399(3) . ?
C15 C16 1.400(3) . ?
C15 C27 1.484(3) . ?
C16 C17 1.434(3) . ?
C17 C18 1.346(3) . ?
C18 C19 1.435(3) . ?
C19 C20 1.391(3) . ?
C20 C21 1.495(3) . ?
C21 C22 1.382(3) . ?
C21 C26 1.398(3) . ?
C22 C23 1.392(3) . ?
C23 C24 1.388(3) . ?
C24 C25 1.392(3) . ?
C25 C26 1.375(3) . ?
C27 C32 1.385(3) . ?
C27 C28 1.397(3) . ?
C28 C29 1.377(3) . ?
C29 C30 1.390(4) . ?
C30 C31 1.378(3) . ?
C31 C32 1.393(3) . ?
C33 C34 1.392(3) . ?
C33 C38 1.399(3) . ?
C34 C35 1.383(3) . ?
C35 C36 1.377(4) . ?
C36 C37 1.394(4) . ?
C37 C38 1.374(4) . ?
C39 C44 1.392(3) . ?
C39 C40 1.394(3) . ?
C40 C41 1.377(3) . ?
C41 C42 1.397(3) . ?
C42 C43 1.382(3) . ?
C43 C44 1.393(3) . ?
C49 C78 1.356(4) . ?
C49 C105 1.447(4) . ?
C49 C64 1.488(4) . ?
C50 C107 1.387(4) . ?
C50 C65 1.436(4) . ?
C50 C103 1.454(4) . ?
C51 C75 1.385(4) . ?
C51 C60 1.437(4) . ?
C51 C68 1.451(5) . ?
C52 C99 1.370(4) . ?
C52 C76 1.456(4) . ?
C52 C104 1.467(4) . ?
C53 C56 1.372(4) . ?
C53 C70 1.446(4) . ?
C53 C93 1.457(4) . ?
C54 C84 1.386(4) . ?
C54 C89 1.435(4) . ?
C54 C69 1.452(4) . ?
C55 C64 1.373(4) . ?
C55 C77 1.416(5) . ?
C55 C68 1.471(4) . ?
C56 C80 1.423(4) . ?
C56 C59 1.477(4) . ?
C57 C66 1.388(4) . ?
C57 C61 1.441(4) . ?
C57 C64 1.446(4) . ?
C58 C88 1.398(4) . ?
C58 C84 1.440(4) . ?
C58 C108 1.464(4) . ?
C59 C65 1.372(4) . ?
C59 C86 1.443(4) . ?
C60 C69 1.370(4) . ?
C60 C77 1.458(4) . ?
C61 C81 1.388(4) . ?
C61 C105 1.452(4) . ?
C62 C63 1.369(4) . ?
C62 C79 1.445(4) . ?
C62 C87 1.467(4) . ?
C63 C90 1.444(4) . ?
C63 C69 1.490(4) . ?
C65 C73 1.459(4) . ?
C66 C82 1.438(4) . ?
C66 C87 1.463(4) . ?
C67 C106 1.394(4) . ?
C67 C71 1.427(4) . ?
C67 C83 1.440(4) . ?
C68 C91 1.367(5) . ?
C70 C72 1.401(4) . ?
C70 C74 1.444(4) . ?
C71 C103 1.382(4) . ?
C71 C99 1.474(4) . ?
C72 C92 1.430(4) . ?
C72 C102 1.464(4) . ?
C73 C93 1.388(4) . ?
C73 C85 1.423(4) . ?
C74 C108 1.380(4) . ?
C74 C101 1.442(4) . ?
C75 C94 1.444(4) . ?
C75 C84 1.456(4) . ?
C76 C89 1.377(4) . ?
C76 C88 1.447(4) . ?
C77 C87 1.380(4) . ?
C78 C102 1.430(4) . ?
C78 C91 1.482(4) . ?
C79 C83 1.390(4) . ?
C79 C82 1.454(4) . ?
C80 C102 1.383(4) . ?
C80 C95 1.457(4) . ?
C81 C100 1.451(4) . ?
C81 C96 1.454(4) . ?
C82 C96 1.384(4) . ?
C83 C97 1.464(4) . ?
C85 C104 1.384(4) . ?
C85 C103 1.456(4) . ?
C86 C100 1.386(4) . ?
C86 C95 1.431(4) . ?
C88 C98 1.435(4) . ?
C89 C90 1.460(4) . ?
C90 C97 1.383(4) . ?
C91 C92 1.430(4) . ?
C92 C94 1.390(4) . ?
C93 C101 1.459(4) . ?
C94 C108 1.471(4) . ?
C95 C105 1.389(4) . ?
C96 C106 1.464(4) . ?
C97 C99 1.423(4) . ?
C98 C101 1.396(4) . ?
C98 C104 1.439(4) . ?
C100 C107 1.442(4) . ?
C106 C107 1.450(4) . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N4 Co1 N1 C1 -167.21(19) . . . . ?
N2 Co1 N1 C1 11.31(19) . . . . ?
N3 Co1 N1 C1 167(5) . . . . ?
N4 Co1 N1 C4 22.22(19) . . . . ?
N2 Co1 N1 C4 -159.25(19) . . . . ?
N3 Co1 N1 C4 -3(6) . . . . ?
N4 Co1 N2 C16 -108(3) . . . . ?
N1 Co1 N2 C16 169.94(19) . . . . ?
N3 Co1 N2 C16 -9.69(19) . . . . ?
N4 Co1 N2 C19 64(3) . . . . ?
N1 Co1 N2 C19 -17.76(19) . . . . ?
N3 Co1 N2 C19 162.61(19) . . . . ?
N4 Co1 N3 C14 -164.2(2) . . . . ?
N2 Co1 N3 C14 17.3(2) . . . . ?
N1 Co1 N3 C14 -139(6) . . . . ?
N4 Co1 N3 C11 13.5(2) . . . . ?
N2 Co1 N3 C11 -165.05(19) . . . . ?
N1 Co1 N3 C11 39(6) . . . . ?
N2 Co1 N4 C6 -99(3) . . . . ?
N1 Co1 N4 C6 -17.0(2) . . . . ?
N3 Co1 N4 C6 162.6(2) . . . . ?
N2 Co1 N4 C9 76(3) . . . . ?
N1 Co1 N4 C9 158.49(19) . . . . ?
N3 Co1 N4 C9 -21.9(2) . . . . ?
C4 N1 C1 C20 172.8(2) . . . . ?
Co1 N1 C1 C20 0.6(3) . . . . ?
C4 N1 C1 C2 -0.4(3) . . . . ?
Co1 N1 C1 C2 -172.58(15) . . . . ?
N1 C1 C2 C3 2.2(3) . . . . ?
C20 C1 C2 C3 -171.1(2) . . . . ?
C1 C2 C3 C4 -3.0(3) . . . . ?
C1 N1 C4 C5 173.3(2) . . . . ?
Co1 N1 C4 C5 -14.4(3) . . . . ?
C1 N1 C4 C3 -1.5(2) . . . . ?
Co1 N1 C4 C3 170.75(16) . . . . ?
C2 C3 C4 N1 2.9(3) . . . . ?
C2 C3 C4 C5 -171.9(2) . . . . ?
N1 C4 C5 C6 -7.3(4) . . . . ?
C3 C4 C5 C6 166.7(2) . . . . ?
N1 C4 C5 C39 178.0(2) . . . . ?
C3 C4 C5 C39 -8.0(4) . . . . ?
C9 N4 C6 C5 -172.9(2) . . . . ?
Co1 N4 C6 C5 3.4(3) . . . . ?
C9 N4 C6 C7 -0.2(3) . . . . ?
Co1 N4 C6 C7 176.09(16) . . . . ?
C4 C5 C6 N4 13.1(4) . . . . ?
C39 C5 C6 N4 -172.2(2) . . . . ?
C4 C5 C6 C7 -158.7(2) . . . . ?
C39 C5 C6 C7 16.1(3) . . . . ?
N4 C6 C7 C8 -2.2(3) . . . . ?
C5 C6 C7 C8 170.6(2) . . . . ?
C6 C7 C8 C9 3.6(3) . . . . ?
C6 N4 C9 C10 -167.3(2) . . . . ?
Co1 N4 C9 C10 16.4(3) . . . . ?
C6 N4 C9 C8 2.4(3) . . . . ?
Co1 N4 C9 C8 -173.89(16) . . . . ?
C7 C8 C9 N4 -3.9(3) . . . . ?
C7 C8 C9 C10 166.0(2) . . . . ?
N4 C9 C10 C11 5.8(4) . . . . ?
C8 C9 C10 C11 -162.6(2) . . . . ?
N4 C9 C10 C33 -176.9(2) . . . . ?
C8 C9 C10 C33 14.7(4) . . . . ?
C14 N3 C11 C10 179.6(2) . . . . ?
Co1 N3 C11 C10 1.6(3) . . . . ?
C14 N3 C11 C12 1.0(3) . . . . ?
Co1 N3 C11 C12 -177.10(16) . . . . ?
C9 C10 C11 N3 -15.0(4) . . . . ?
C33 C10 C11 N3 167.8(2) . . . . ?
C9 C10 C11 C12 163.4(2) . . . . ?
C33 C10 C11 C12 -13.8(4) . . . . ?
N3 C11 C12 C13 2.3(3) . . . . ?
C10 C11 C12 C13 -176.4(2) . . . . ?
C11 C12 C13 C14 -4.4(3) . . . . ?
C11 N3 C14 C15 167.8(2) . . . . ?
Co1 N3 C14 C15 -14.1(3) . . . . ?
C11 N3 C14 C13 -3.7(3) . . . . ?
Co1 N3 C14 C13 174.34(17) . . . . ?
C12 C13 C14 N3 5.2(3) . . . . ?
C12 C13 C14 C15 -166.3(2) . . . . ?
N3 C14 C15 C16 -2.9(4) . . . . ?
C13 C14 C15 C16 167.4(2) . . . . ?
N3 C14 C15 C27 -176.6(2) . . . . ?
C13 C14 C15 C27 -6.3(4) . . . . ?
C19 N2 C16 C15 -175.5(2) . . . . ?
Co1 N2 C16 C15 -1.9(3) . . . . ?
C19 N2 C16 C17 -0.1(2) . . . . ?
Co1 N2 C16 C17 173.51(16) . . . . ?
C14 C15 C16 N2 11.2(4) . . . . ?
C27 C15 C16 N2 -175.0(2) . . . . ?
C14 C15 C16 C17 -163.6(2) . . . . ?
C27 C15 C16 C17 10.2(3) . . . . ?
N2 C16 C17 C18 -1.4(3) . . . . ?
C15 C16 C17 C18 174.1(2) . . . . ?
C16 C17 C18 C19 2.3(3) . . . . ?
C16 N2 C19 C20 -173.1(2) . . . . ?
Co1 N2 C19 C20 13.2(3) . . . . ?
C16 N2 C19 C18 1.5(2) . . . . ?
Co1 N2 C19 C18 -172.17(16) . . . . ?
C17 C18 C19 N2 -2.4(3) . . . . ?
C17 C18 C19 C20 172.2(2) . . . . ?
N1 C1 C20 C19 -11.6(4) . . . . ?
C2 C1 C20 C19 160.6(2) . . . . ?
N1 C1 C20 C21 176.2(2) . . . . ?
C2 C1 C20 C21 -11.5(3) . . . . ?
N2 C19 C20 C1 4.5(4) . . . . ?
C18 C19 C20 C1 -169.4(2) . . . . ?
N2 C19 C20 C21 176.7(2) . . . . ?
C18 C19 C20 C21 2.8(3) . . . . ?
C1 C20 C21 C22 -84.6(3) . . . . ?
C19 C20 C21 C22 103.0(3) . . . . ?
C1 C20 C21 C26 95.1(3) . . . . ?
C19 C20 C21 C26 -77.3(3) . . . . ?
C26 C21 C22 C23 0.1(4) . . . . ?
C20 C21 C22 C23 179.7(2) . . . . ?
C21 C22 C23 C24 0.9(4) . . . . ?
C45 O1 C24 C23 -2.1(3) . . . . ?
C45 O1 C24 C25 178.7(2) . . . . ?
C22 C23 C24 O1 179.7(2) . . . . ?
C22 C23 C24 C25 -1.1(4) . . . . ?
O1 C24 C25 C26 179.7(2) . . . . ?
C23 C24 C25 C26 0.4(4) . . . . ?
C24 C25 C26 C21 0.6(4) . . . . ?
C22 C21 C26 C25 -0.8(4) . . . . ?
C20 C21 C26 C25 179.5(2) . . . . ?
C14 C15 C27 C32 54.7(3) . . . . ?
C16 C15 C27 C32 -119.3(3) . . . . ?
C14 C15 C27 C28 -126.6(3) . . . . ?
C16 C15 C27 C28 59.4(3) . . . . ?
C32 C27 C28 C29 -2.6(4) . . . . ?
C15 C27 C28 C29 178.7(2) . . . . ?
C27 C28 C29 C30 -0.9(4) . . . . ?
C46 O2 C30 C31 1.9(4) . . . . ?
C46 O2 C30 C29 -177.0(2) . . . . ?
C28 C29 C30 O2 -176.9(2) . . . . ?
C28 C29 C30 C31 4.2(4) . . . . ?
O2 C30 C31 C32 177.2(2) . . . . ?
C29 C30 C31 C32 -4.0(4) . . . . ?
C28 C27 C32 C31 2.9(4) . . . . ?
C15 C27 C32 C31 -178.4(2) . . . . ?
C30 C31 C32 C27 0.4(4) . . . . ?
C9 C10 C33 C34 71.9(3) . . . . ?
C11 C10 C33 C34 -110.8(3) . . . . ?
C9 C10 C33 C38 -104.8(3) . . . . ?
C11 C10 C33 C38 72.5(3) . . . . ?
C38 C33 C34 C35 -0.4(4) . . . . ?
C10 C33 C34 C35 -177.4(2) . . . . ?
C33 C34 C35 C36 2.7(4) . . . . ?
C47 O3 C36 C35 5.6(4) . . . . ?
C47 O3 C36 C37 -174.8(2) . . . . ?
C34 C35 C36 O3 177.0(2) . . . . ?
C34 C35 C36 C37 -2.6(4) . . . . ?
O3 C36 C37 C38 -179.4(2) . . . . ?
C35 C36 C37 C38 0.3(4) . . . . ?
C36 C37 C38 C33 2.0(4) . . . . ?
C34 C33 C38 C37 -1.9(4) . . . . ?
C10 C33 C38 C37 174.9(2) . . . . ?
C4 C5 C39 C44 -114.7(3) . . . . ?
C6 C5 C39 C44 70.4(3) . . . . ?
C4 C5 C39 C40 65.3(3) . . . . ?
C6 C5 C39 C40 -109.6(3) . . . . ?
C44 C39 C40 C41 -0.7(4) . . . . ?
C5 C39 C40 C41 179.3(2) . . . . ?
C39 C40 C41 C42 2.5(4) . . . . ?
C48 O4 C42 C43 10.5(3) . . . . ?
C48 O4 C42 C41 -169.5(2) . . . . ?
C40 C41 C42 O4 178.0(2) . . . . ?
C40 C41 C42 C43 -2.1(4) . . . . ?
O4 C42 C43 C44 179.9(2) . . . . ?
C41 C42 C43 C44 0.0(4) . . . . ?
C40 C39 C44 C43 -1.5(4) . . . . ?
C5 C39 C44 C43 178.6(2) . . . . ?
C42 C43 C44 C39 1.9(4) . . . . ?
C70 C53 C56 C80 -0.3(4) . . . . ?
C93 C53 C56 C80 138.2(3) . . . . ?
C70 C53 C56 C59 -138.0(3) . . . . ?
C93 C53 C56 C59 0.5(4) . . . . ?
C53 C56 C59 C65 -0.5(4) . . . . ?
C80 C56 C59 C65 -142.7(3) . . . . ?
C53 C56 C59 C86 142.9(3) . . . . ?
C80 C56 C59 C86 0.7(3) . . . . ?
C75 C51 C60 C69 0.7(4) . . . . ?
C68 C51 C60 C69 143.1(3) . . . . ?
C75 C51 C60 C77 -142.3(3) . . . . ?
C68 C51 C60 C77 0.1(3) . . . . ?
C66 C57 C61 C81 -0.4(4) . . . . ?
C64 C57 C61 C81 142.7(3) . . . . ?
C66 C57 C61 C105 -142.4(3) . . . . ?
C64 C57 C61 C105 0.6(3) . . . . ?
C79 C62 C63 C90 0.0(4) . . . . ?
C87 C62 C63 C90 -138.3(3) . . . . ?
C79 C62 C63 C69 138.1(3) . . . . ?
C87 C62 C63 C69 -0.2(4) . . . . ?
C77 C55 C64 C57 -0.3(4) . . . . ?
C68 C55 C64 C57 137.6(3) . . . . ?
C77 C55 C64 C49 -137.6(3) . . . . ?
C68 C55 C64 C49 0.3(4) . . . . ?
C66 C57 C64 C55 0.8(4) . . . . ?
C61 C57 C64 C55 -142.8(3) . . . . ?
C66 C57 C64 C49 143.2(3) . . . . ?
C61 C57 C64 C49 -0.4(3) . . . . ?
C78 C49 C64 C55 -0.6(4) . . . . ?
C105 C49 C64 C55 142.9(3) . . . . ?
C78 C49 C64 C57 -143.4(3) . . . . ?
C105 C49 C64 C57 0.1(3) . . . . ?
C86 C59 C65 C50 -0.3(4) . . . . ?
C56 C59 C65 C50 138.3(3) . . . . ?
C86 C59 C65 C73 -138.2(3) . . . . ?
C56 C59 C65 C73 0.4(4) . . . . ?
C107 C50 C65 C59 0.5(4) . . . . ?
C103 C50 C65 C59 -143.2(3) . . . . ?
C107 C50 C65 C73 143.0(3) . . . . ?
C103 C50 C65 C73 -0.7(3) . . . . ?
C61 C57 C66 C82 0.8(4) . . . . ?
C64 C57 C66 C82 -138.6(3) . . . . ?
C61 C57 C66 C87 138.6(3) . . . . ?
C64 C57 C66 C87 -0.8(4) . . . . ?
C75 C51 C68 C91 0.3(4) . . . . ?
C60 C51 C68 C91 -142.6(3) . . . . ?
C75 C51 C68 C55 143.1(3) . . . . ?
C60 C51 C68 C55 0.2(3) . . . . ?
C64 C55 C68 C91 0.1(4) . . . . ?
C77 C55 C68 C91 142.2(3) . . . . ?
C64 C55 C68 C51 -142.5(3) . . . . ?
C77 C55 C68 C51 -0.5(3) . . . . ?
C51 C60 C69 C54 -1.2(4) . . . . ?
C77 C60 C69 C54 137.3(3) . . . . ?
C51 C60 C69 C63 -138.1(3) . . . . ?
C77 C60 C69 C63 0.4(4) . . . . ?
C84 C54 C69 C60 1.5(4) . . . . ?
C89 C54 C69 C60 -142.2(3) . . . . ?
C84 C54 C69 C63 143.5(3) . . . . ?
C89 C54 C69 C63 -0.2(3) . . . . ?
C62 C63 C69 C60 -0.3(4) . . . . ?
C90 C63 C69 C60 142.5(3) . . . . ?
C62 C63 C69 C54 -142.7(3) . . . . ?
C90 C63 C69 C54 0.1(3) . . . . ?
C56 C53 C70 C72 0.6(4) . . . . ?
C93 C53 C70 C72 -142.2(3) . . . . ?
C56 C53 C70 C74 142.9(3) . . . . ?
C93 C53 C70 C74 0.2(3) . . . . ?
C106 C67 C71 C103 0.3(4) . . . . ?
C83 C67 C71 C103 -142.7(3) . . . . ?
C106 C67 C71 C99 143.3(3) . . . . ?
C83 C67 C71 C99 0.4(3) . . . . ?
C74 C70 C72 C92 -0.5(4) . . . . ?
C53 C70 C72 C92 137.6(3) . . . . ?
C74 C70 C72 C102 -138.2(3) . . . . ?
C53 C70 C72 C102 -0.1(4) . . . . ?
C59 C65 C73 C93 -0.3(4) . . . . ?
C50 C65 C73 C93 -142.6(3) . . . . ?
C59 C65 C73 C85 142.7(3) . . . . ?
C50 C65 C73 C85 0.4(3) . . . . ?
C72 C70 C74 C108 0.0(4) . . . . ?
C53 C70 C74 C108 -142.5(3) . . . . ?
C72 C70 C74 C101 141.9(3) . . . . ?
C53 C70 C74 C101 -0.6(3) . . . . ?
C60 C51 C75 C94 138.7(3) . . . . ?
C68 C51 C75 C94 0.3(4) . . . . ?
C60 C51 C75 C84 -0.4(4) . . . . ?
C68 C51 C75 C84 -138.7(3) . . . . ?
C99 C52 C76 C89 -0.4(4) . . . . ?
C104 C52 C76 C89 141.4(3) . . . . ?
C99 C52 C76 C88 -142.9(3) . . . . ?
C104 C52 C76 C88 -1.1(3) . . . . ?
C64 C55 C77 C87 -0.2(4) . . . . ?
C68 C55 C77 C87 -142.1(3) . . . . ?
C64 C55 C77 C60 142.3(3) . . . . ?
C68 C55 C77 C60 0.5(3) . . . . ?
C69 C60 C77 C87 0.1(4) . . . . ?
C51 C60 C77 C87 142.8(3) . . . . ?
C69 C60 C77 C55 -143.0(3) . . . . ?
C51 C60 C77 C55 -0.3(3) . . . . ?
C105 C49 C78 C102 -0.8(4) . . . . ?
C64 C49 C78 C102 138.6(3) . . . . ?
C105 C49 C78 C91 -138.9(3) . . . . ?
C64 C49 C78 C91 0.5(4) . . . . ?
C63 C62 C79 C83 -0.7(4) . . . . ?
C87 C62 C79 C83 141.7(3) . . . . ?
C63 C62 C79 C82 -143.2(3) . . . . ?
C87 C62 C79 C82 -0.8(3) . . . . ?
C53 C56 C80 C102 -0.4(4) . . . . ?
C59 C56 C80 C102 141.6(3) . . . . ?
C53 C56 C80 C95 -142.5(3) . . . . ?
C59 C56 C80 C95 -0.4(3) . . . . ?
C57 C61 C81 C100 -137.9(3) . . . . ?
C105 C61 C81 C100 0.3(4) . . . . ?
C57 C61 C81 C96 0.0(4) . . . . ?
C105 C61 C81 C96 138.1(3) . . . . ?
C57 C66 C82 C96 -0.7(4) . . . . ?
C87 C66 C82 C96 -142.6(3) . . . . ?
C57 C66 C82 C79 141.5(3) . . . . ?
C87 C66 C82 C79 -0.3(3) . . . . ?
C83 C79 C82 C96 0.1(4) . . . . ?
C62 C79 C82 C96 142.9(3) . . . . ?
C83 C79 C82 C66 -142.1(3) . . . . ?
C62 C79 C82 C66 0.7(3) . . . . ?
C62 C79 C83 C67 -138.2(3) . . . . ?
C82 C79 C83 C67 -0.2(4) . . . . ?
C62 C79 C83 C97 0.9(4) . . . . ?
C82 C79 C83 C97 138.9(3) . . . . ?
C106 C67 C83 C79 -0.6(4) . . . . ?
C71 C67 C83 C79 142.6(3) . . . . ?
C106 C67 C83 C97 -143.8(3) . . . . ?
C71 C67 C83 C97 -0.5(3) . . . . ?
C89 C54 C84 C58 0.8(4) . . . . ?
C69 C54 C84 C58 -139.0(3) . . . . ?
C89 C54 C84 C75 138.7(3) . . . . ?
C69 C54 C84 C75 -1.1(4) . . . . ?
C88 C58 C84 C54 -0.2(4) . . . . ?
C108 C58 C84 C54 142.3(3) . . . . ?
C88 C58 C84 C75 -142.3(3) . . . . ?
C108 C58 C84 C75 0.2(3) . . . . ?
C51 C75 C84 C54 0.6(4) . . . . ?
C94 C75 C84 C54 -142.4(3) . . . . ?
C51 C75 C84 C58 143.1(3) . . . . ?
C94 C75 C84 C58 0.1(3) . . . . ?
C93 C73 C85 C104 -0.2(4) . . . . ?
C65 C73 C85 C104 -142.4(3) . . . . ?
C93 C73 C85 C103 142.4(3) . . . . ?
C65 C73 C85 C103 0.1(3) . . . . ?
C65 C59 C86 C100 0.6(4) . . . . ?
C56 C59 C86 C100 -142.6(3) . . . . ?
C65 C59 C86 C95 142.5(3) . . . . ?
C56 C59 C86 C95 -0.7(3) . . . . ?
C55 C77 C87 C66 0.3(4) . . . . ?
C60 C77 C87 C66 -138.2(3) . . . . ?
C55 C77 C87 C62 137.8(3) . . . . ?
C60 C77 C87 C62 -0.6(4) . . . . ?
C57 C66 C87 C77 0.2(4) . . . . ?
C82 C66 C87 C77 142.7(3) . . . . ?
C57 C66 C87 C62 -142.6(3) . . . . ?
C82 C66 C87 C62 -0.1(3) . . . . ?
C63 C62 C87 C77 0.7(4) . . . . ?
C79 C62 C87 C77 -141.8(3) . . . . ?
C63 C62 C87 C66 143.0(3) . . . . ?
C79 C62 C87 C66 0.6(3) . . . . ?
C84 C58 C88 C98 138.0(3) . . . . ?
C108 C58 C88 C98 -0.1(4) . . . . ?
C84 C58 C88 C76 -0.4(4) . . . . ?
C108 C58 C88 C76 -138.5(3) . . . . ?
C89 C76 C88 C58 0.5(4) . . . . ?
C52 C76 C88 C58 143.2(3) . . . . ?
C89 C76 C88 C98 -141.8(3) . . . . ?
C52 C76 C88 C98 0.9(3) . . . . ?
C88 C76 C89 C54 0.1(4) . . . . ?
C52 C76 C89 C54 -137.6(3) . . . . ?
C88 C76 C89 C90 138.7(3) . . . . ?
C52 C76 C89 C90 1.0(4) . . . . ?
C84 C54 C89 C76 -0.8(4) . . . . ?
C69 C54 C89 C76 142.8(3) . . . . ?
C84 C54 C89 C90 -143.3(3) . . . . ?
C69 C54 C89 C90 0.2(3) . . . . ?
C62 C63 C90 C97 0.5(4) . . . . ?
C69 C63 C90 C97 -141.7(3) . . . . ?
C62 C63 C90 C89 142.3(3) . . . . ?
C69 C63 C90 C89 0.0(3) . . . . ?
C76 C89 C90 C97 -0.7(4) . . . . ?
C54 C89 C90 C97 142.3(3) . . . . ?
C76 C89 C90 C63 -143.2(3) . . . . ?
C54 C89 C90 C63 -0.1(3) . . . . ?
C51 C68 C91 C92 -0.6(4) . . . . ?
C55 C68 C91 C92 -138.2(3) . . . . ?
C51 C68 C91 C78 137.5(3) . . . . ?
C55 C68 C91 C78 -0.1(4) . . . . ?
C49 C78 C91 C68 -0.2(4) . . . . ?
C102 C78 C91 C68 -143.0(3) . . . . ?
C49 C78 C91 C92 143.0(3) . . . . ?
C102 C78 C91 C92 0.2(3) . . . . ?
C68 C91 C92 C94 0.3(4) . . . . ?
C78 C91 C92 C94 -142.4(3) . . . . ?
C68 C91 C92 C72 142.6(3) . . . . ?
C78 C91 C92 C72 -0.1(3) . . . . ?
C70 C72 C92 C94 0.3(4) . . . . ?
C102 C72 C92 C94 142.1(3) . . . . ?
C70 C72 C92 C91 -141.7(3) . . . . ?
C102 C72 C92 C91 0.0(3) . . . . ?
C85 C73 C93 C53 -138.0(3) . . . . ?
C65 C73 C93 C53 0.3(4) . . . . ?
C85 C73 C93 C101 -0.2(4) . . . . ?
C65 C73 C93 C101 138.1(3) . . . . ?
C56 C53 C93 C73 -0.4(4) . . . . ?
C70 C53 C93 C73 142.6(3) . . . . ?
C56 C53 C93 C101 -142.7(3) . . . . ?
C70 C53 C93 C101 0.3(3) . . . . ?
C91 C92 C94 C75 0.4(4) . . . . ?
C72 C92 C94 C75 -138.0(3) . . . . ?
C91 C92 C94 C108 138.5(3) . . . . ?
C72 C92 C94 C108 0.2(4) . . . . ?
C51 C75 C94 C92 -0.7(4) . . . . ?
C84 C75 C94 C92 142.5(3) . . . . ?
C51 C75 C94 C108 -143.5(3) . . . . ?
C84 C75 C94 C108 -0.3(3) . . . . ?
C100 C86 C95 C105 -0.9(4) . . . . ?
C59 C86 C95 C105 -142.5(3) . . . . ?
C100 C86 C95 C80 142.1(3) . . . . ?
C59 C86 C95 C80 0.4(3) . . . . ?
C102 C80 C95 C105 -0.1(4) . . . . ?
C56 C80 C95 C105 143.2(3) . . . . ?
C102 C80 C95 C86 -143.3(3) . . . . ?
C56 C80 C95 C86 0.0(3) . . . . ?
C66 C82 C96 C81 0.3(4) . . . . ?
C79 C82 C96 C81 -137.9(3) . . . . ?
C66 C82 C96 C106 139.1(3) . . . . ?
C79 C82 C96 C106 1.0(4) . . . . ?
C61 C81 C96 C82 0.1(4) . . . . ?
C100 C81 C96 C82 142.4(3) . . . . ?
C61 C81 C96 C106 -143.4(3) . . . . ?
C100 C81 C96 C106 -1.1(3) . . . . ?
C63 C90 C97 C99 137.6(3) . . . . ?
C89 C90 C97 C99 -0.1(4) . . . . ?
C63 C90 C97 C83 -0.4(4) . . . . ?
C89 C90 C97 C83 -138.0(3) . . . . ?
C79 C83 C97 C90 -0.3(4) . . . . ?
C67 C83 C97 C90 143.4(3) . . . . ?
C79 C83 C97 C99 -143.3(3) . . . . ?
C67 C83 C97 C99 0.4(3) . . . . ?
C58 C88 C98 C101 -0.2(4) . . . . ?
C76 C88 C98 C101 142.1(3) . . . . ?
C58 C88 C98 C104 -142.7(3) . . . . ?
C76 C88 C98 C104 -0.4(3) . . . . ?
C76 C52 C99 C97 -0.4(4) . . . . ?
C104 C52 C99 C97 -137.5(3) . . . . ?
C76 C52 C99 C71 138.1(3) . . . . ?
C104 C52 C99 C71 1.0(4) . . . . ?
C90 C97 C99 C52 0.7(4) . . . . ?
C83 C97 C99 C52 142.7(3) . . . . ?
C90 C97 C99 C71 -142.2(3) . . . . ?
C83 C97 C99 C71 -0.2(3) . . . . ?
C103 C71 C99 C52 0.1(4) . . . . ?
C67 C71 C99 C52 -143.3(3) . . . . ?
C103 C71 C99 C97 143.3(3) . . . . ?
C67 C71 C99 C97 -0.1(3) . . . . ?
C95 C86 C100 C107 -138.4(3) . . . . ?
C59 C86 C100 C107 -1.0(4) . . . . ?
C95 C86 C100 C81 0.9(4) . . . . ?
C59 C86 C100 C81 138.2(3) . . . . ?
C61 C81 C100 C86 -0.6(4) . . . . ?
C96 C81 C100 C86 -143.0(3) . . . . ?
C61 C81 C100 C107 143.0(3) . . . . ?
C96 C81 C100 C107 0.6(3) . . . . ?
C88 C98 C101 C74 0.3(4) . . . . ?
C104 C98 C101 C74 138.8(3) . . . . ?
C88 C98 C101 C93 -139.0(3) . . . . ?
C104 C98 C101 C93 -0.5(4) . . . . ?
C108 C74 C101 C98 0.0(4) . . . . ?
C70 C74 C101 C98 -142.5(3) . . . . ?
C108 C74 C101 C93 143.3(3) . . . . ?
C70 C74 C101 C93 0.8(3) . . . . ?
C73 C93 C101 C98 0.5(4) . . . . ?
C53 C93 C101 C98 143.4(3) . . . . ?
C73 C93 C101 C74 -143.5(3) . . . . ?
C53 C93 C101 C74 -0.7(3) . . . . ?
C56 C80 C102 C78 -137.4(3) . . . . ?
C95 C80 C102 C78 0.8(4) . . . . ?
C56 C80 C102 C72 0.9(4) . . . . ?
C95 C80 C102 C72 139.0(3) . . . . ?
C49 C78 C102 C80 -0.3(4) . . . . ?
C91 C78 C102 C80 142.2(3) . . . . ?
C49 C78 C102 C72 -142.7(3) . . . . ?
C91 C78 C102 C72 -0.2(3) . . . . ?
C70 C72 C102 C80 -0.6(4) . . . . ?
C92 C72 C102 C80 -143.2(3) . . . . ?
C70 C72 C102 C78 142.7(3) . . . . ?
C92 C72 C102 C78 0.1(3) . . . . ?
C67 C71 C103 C50 1.0(4) . . . . ?
C99 C71 C103 C50 -137.8(3) . . . . ?
C67 C71 C103 C85 137.8(3) . . . . ?
C99 C71 C103 C85 -1.0(4) . . . . ?
C107 C50 C103 C71 -1.2(4) . . . . ?
C65 C50 C103 C71 142.6(3) . . . . ?
C107 C50 C103 C85 -143.1(3) . . . . ?
C65 C50 C103 C85 0.7(3) . . . . ?
C104 C85 C103 C71 0.8(4) . . . . ?
C73 C85 C103 C71 -141.9(3) . . . . ?
C104 C85 C103 C50 142.2(3) . . . . ?
C73 C85 C103 C50 -0.5(3) . . . . ?
C73 C85 C104 C98 0.2(4) . . . . ?
C103 C85 C104 C98 -138.2(3) . . . . ?
C73 C85 C104 C52 138.8(3) . . . . ?
C103 C85 C104 C52 0.3(4) . . . . ?
C101 C98 C104 C85 0.1(4) . . . . ?
C88 C98 C104 C85 142.9(3) . . . . ?
C101 C98 C104 C52 -143.0(3) . . . . ?
C88 C98 C104 C52 -0.3(3) . . . . ?
C99 C52 C104 C85 -1.3(4) . . . . ?
C76 C52 C104 C85 -142.6(3) . . . . ?
C99 C52 C104 C98 142.2(3) . . . . ?
C76 C52 C104 C98 0.8(3) . . . . ?
C86 C95 C105 C49 138.1(3) . . . . ?
C80 C95 C105 C49 -1.0(4) . . . . ?
C86 C95 C105 C61 0.6(4) . . . . ?
C80 C95 C105 C61 -138.5(3) . . . . ?
C78 C49 C105 C95 1.4(4) . . . . ?
C64 C49 C105 C95 -142.1(3) . . . . ?
C78 C49 C105 C61 143.9(3) . . . . ?
C64 C49 C105 C61 0.3(3) . . . . ?
C81 C61 C105 C95 -0.3(4) . . . . ?
C57 C61 C105 C95 141.8(3) . . . . ?
C81 C61 C105 C49 -142.6(3) . . . . ?
C57 C61 C105 C49 -0.6(3) . . . . ?
C71 C67 C106 C107 -1.4(4) . . . . ?
C83 C67 C106 C107 137.4(3) . . . . ?
C71 C67 C106 C96 -137.1(3) . . . . ?
C83 C67 C106 C96 1.6(4) . . . . ?
C82 C96 C106 C67 -1.8(4) . . . . ?
C81 C96 C106 C67 141.5(3) . . . . ?
C82 C96 C106 C107 -142.2(3) . . . . ?
C81 C96 C106 C107 1.2(3) . . . . ?
C65 C50 C107 C100 -0.9(4) . . . . ?
C103 C50 C107 C100 138.5(3) . . . . ?
C65 C50 C107 C106 -139.3(3) . . . . ?
C103 C50 C107 C106 0.1(4) . . . . ?
C86 C100 C107 C50 1.2(4) . . . . ?
C81 C100 C107 C50 -142.4(3) . . . . ?
C86 C100 C107 C106 143.8(3) . . . . ?
C81 C100 C107 C106 0.1(3) . . . . ?
C67 C106 C107 C50 1.2(4) . . . . ?
C96 C106 C107 C50 141.6(3) . . . . ?
C67 C106 C107 C100 -141.2(3) . . . . ?
C96 C106 C107 C100 -0.8(3) . . . . ?
C101 C74 C108 C58 -0.4(4) . . . . ?
C70 C74 C108 C58 137.6(3) . . . . ?
C101 C74 C108 C94 -137.5(3) . . . . ?
C70 C74 C108 C94 0.5(4) . . . . ?
C88 C58 C108 C74 0.4(4) . . . . ?
C84 C58 C108 C74 -141.9(3) . . . . ?
C88 C58 C108 C94 142.0(3) . . . . ?
C84 C58 C108 C94 -0.4(3) . . . . ?
C92 C94 C108 C74 -0.6(4) . . . . ?
C75 C94 C108 C74 142.4(3) . . . . ?
C92 C94 C108 C58 -142.6(3) . . . . ?
C75 C94 C108 C58 0.4(3) . . . . ?
