#------------------------------------------------------------------------------
#$Date: 2016-03-22 23:49:25 +0200 (Tue, 22 Mar 2016) $
#$Revision: 179079 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/41/4304182.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_4304182
loop_
_publ_author_name
'Anurag Mishra'
'Afsar Ali'
'Shailesh Upreti'
'Rajeev Gupta'
_publ_contact_author_address
;
Department of Chemistry 
University of Delhi
Delhi - 110 007
INDIA
;
_publ_contact_author_email       'rgupta@chemistry.du.ac.in '
_publ_contact_author_fax         '91 11 2766 6605'
_publ_contact_author_name        'Dr. Rajeev Gupta'
_publ_contact_author_phone       '91 11 2666 7624'
_publ_section_title
;
Cobalt Coordination Induced Functionalized Molecular Clefts: Isolation of
{CoIII-ZnII} Heterometallic Complexes and Their Applications in Beckmann
Rearrangement Reactions
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              154
_journal_page_last               161
_journal_paper_doi               10.1021/ic7016424
_journal_volume                  47
_journal_year                    2008
_chemical_formula_moiety         '2(C34 H22 Co N10 O4), 2(C8 H20 N), O'
_chemical_formula_sum            'C84 H84 Co2 N22 O9'
_chemical_formula_weight         1663.59
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 111.393(12)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.423(9)
_cell_length_b                   22.614(11)
_cell_length_c                   19.882(10)
_cell_measurement_reflns_used    3151
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      24.98
_cell_measurement_theta_min      2.67
_cell_volume                     8131(7)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_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      298(2)
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0833
_diffrn_reflns_av_sigmaI/netI    0.1400
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            22113
_diffrn_reflns_theta_full        25.92
_diffrn_reflns_theta_max         25.12
_diffrn_reflns_theta_min         1.42
_exptl_absorpt_coefficient_mu    0.480
_exptl_absorpt_correction_T_max  0.948
_exptl_absorpt_correction_T_min  0.926
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS;Bruker-2000
_exptl_crystal_colour            'dark green'
_exptl_crystal_density_diffrn    1.359
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3472
_exptl_crystal_size_max          0.312
_exptl_crystal_size_mid          0.128
_exptl_crystal_size_min          0.118
_refine_diff_density_max         1.180
_refine_diff_density_min         -0.952
_refine_diff_density_rms         0.104
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.277
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1064
_refine_ls_number_reflns         13854
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.277
_refine_ls_R_factor_all          0.0835
_refine_ls_R_factor_gt           0.0713
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0893P)²+23.6784P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1423
_refine_ls_wR_factor_ref         0.1524
_reflns_number_gt                9644
_reflns_number_total             13854
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic7016424-file005_2.cif
_cod_data_source_block           Complex2
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               4304182
loop_
_symmetry_equiv_pos_as_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'
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 0.29272(6) 0.15770(5) 0.39758(6) 0.0206(4) Uani 1 1 d . . .
Co2 Co 0.28229(5) 0.19779(5) 0.87879(5) 0.0183(4) Uani 1 1 d . . .
O1 O 0.1527(4) 0.0761(3) 0.2196(4) 0.063(2) Uani 1 1 d . . .
O2 O 0.2137(4) 0.2770(3) 0.5031(4) 0.056(2) Uani 1 1 d . . .
O1' O 0.1153(4) 0.0886(3) 0.7700(4) 0.064(2) Uani 1 1 d . . .
O2' O 0.3627(4) 0.3140(3) 0.7698(4) 0.055(2) Uani 1 1 d . . .
O3' O 0.4403(4) 0.0764(3) 0.9713(4) 0.056(2) Uani 1 1 d . . .
O4' O 0.2127(4) 0.3048(4) 1.0055(4) 0.062(2) Uani 1 1 d . . .
O3 O 0.4026(4) 0.2575(4) 0.3020(6) 0.092(3) Uani 1 1 d . . .
O4 O 0.4074(4) 0.0376(4) 0.5506(4) 0.070(3) Uani 1 1 d . . .
N1 N 0.1910(3) 0.1723(3) 0.3668(4) 0.0294(18) Uani 1 1 d . . .
N2 N 0.2596(4) 0.1004(3) 0.3155(4) 0.0354(19) Uani 1 1 d . . .
N3 N 0.3631(5) 0.0406(4) 0.3390(5) 0.051(2) Uani 1 1 d . . .
N4 N 0.2932(4) 0.2183(3) 0.4684(4) 0.0366(19) Uani 1 1 d . . .
N5 N 0.3733(5) 0.3001(5) 0.4933(5) 0.062(3) Uani 1 1 d . . .
N1' N 0.2464(3) 0.1975(3) 0.7780(4) 0.0305(17) Uani 1 1 d . . .
N2' N 0.2020(4) 0.1406(3) 0.8621(4) 0.0311(18) Uani 1 1 d . . .
N3' N 0.2050(4) 0.0916(4) 0.9680(4) 0.051(2) Uani 1 1 d . . .
N4' N 0.3471(3) 0.2578(3) 0.8620(3) 0.0342(19) Uani 1 1 d . . .
N5' N 0.4517(4) 0.2596(4) 0.9678(5) 0.053(2) Uani 1 1 d . . .
N6' N 0.3218(4) 0.1900(3) 0.9795(4) 0.0324(18) Uani 1 1 d . . .
N7' N 0.2250(3) 0.2611(3) 0.9041(4) 0.0288(17) Uani 1 1 d . . .
N8' N 0.1279(4) 0.2751(4) 0.7933(4) 0.056(3) Uani 1 1 d . . .
N9' N 0.3558(3) 0.1364(3) 0.8864(3) 0.0282(17) Uani 1 1 d . . .
N10' N 0.3407(5) 0.0875(4) 0.7775(4) 0.054(2) Uani 1 1 d . . .
N6 N 0.3952(4) 0.1495(3) 0.4255(4) 0.0337(18) Uani 1 1 d . . .
N7 N 0.3098(4) 0.2165(3) 0.3347(4) 0.0369(19) Uani 1 1 d . . .
N8 N 0.2304(6) 0.3020(5) 0.3119(6) 0.088(4) Uani 1 1 d . . .
N9 N 0.3088(4) 0.0919(3) 0.4726(4) 0.0346(19) Uani 1 1 d . . .
N10 N 0.1910(4) 0.0955(4) 0.4738(5) 0.048(2) Uani 1 1 d . . .
C1 C 0.1663(5) 0.2105(4) 0.4043(5) 0.036(2) Uani 1 1 d . . .
C2 C 0.0912(5) 0.2204(5) 0.3845(6) 0.047(3) Uani 1 1 d . . .
H2 H 0.0728 0.2472 0.4092 0.056 Uiso 1 1 calc R . .
C3 C 0.0444(6) 0.1881(6) 0.3259(7) 0.068(4) Uani 1 1 d . . .
H3 H -0.0065 0.1929 0.3120 0.081 Uiso 1 1 calc R . .
C4 C 0.0710(6) 0.1502(6) 0.2885(6) 0.064(3) Uani 1 1 d . . .
H4 H 0.0387 0.1295 0.2492 0.076 Uiso 1 1 calc R . .
C5 C 0.1465(5) 0.1424(4) 0.3094(5) 0.039(2) Uani 1 1 d . . .
C6 C 0.1861(5) 0.1017(4) 0.2759(5) 0.039(2) Uani 1 1 d . . .
C7 C 0.3079(5) 0.0696(4) 0.2902(5) 0.038(2) Uani 1 1 d . . .
C8 C 0.3005(6) 0.0718(5) 0.2176(6) 0.059(3) Uani 1 1 d . . .
H8 H 0.2622 0.0930 0.1841 0.070 Uiso 1 1 calc R . .
C9 C 0.3516(7) 0.0418(5) 0.1964(7) 0.063(3) Uani 1 1 d . . .
H9 H 0.3470 0.0422 0.1482 0.076 Uiso 1 1 calc R . .
C10 C 0.4084(8) 0.0116(6) 0.2461(8) 0.077(4) Uani 1 1 d . . .
H10 H 0.4431 -0.0088 0.2328 0.092 Uiso 1 1 calc R . .
C11 C 0.4123(7) 0.0128(5) 0.3166(8) 0.069(4) Uani 1 1 d . . .
H11 H 0.4514 -0.0069 0.3511 0.083 Uiso 1 1 calc R . .
C12 C 0.3572(5) 0.2473(5) 0.5168(5) 0.038(2) Uani 1 1 d . . .
C13 C 0.3973(6) 0.2214(5) 0.5785(6) 0.060(3) Uani 1 1 d . . .
H13 H 0.3839 0.1849 0.5916 0.072 Uiso 1 1 calc R . .
C14 C 0.4600(8) 0.2510(9) 0.6226(8) 0.102(6) Uani 1 1 d . . .
H14 H 0.4891 0.2349 0.6669 0.123 Uiso 1 1 calc R . .
C15 C 0.4792(7) 0.3049(9) 0.6004(9) 0.096(6) Uani 1 1 d . . .
H15 H 0.5217 0.3248 0.6290 0.115 Uiso 1 1 calc R . .
C16 C 0.4357(7) 0.3272(6) 0.5377(8) 0.076(4) Uani 1 1 d . . .
H16 H 0.4485 0.3633 0.5232 0.091 Uiso 1 1 calc R . .
C17 C 0.2269(5) 0.2391(4) 0.4640(5) 0.037(2) Uani 1 1 d . . .
C1' C 0.1972(4) 0.1571(4) 0.7440(4) 0.034(2) Uani 1 1 d . . .
C2' C 0.1777(5) 0.1486(5) 0.6708(5) 0.052(3) Uani 1 1 d . . .
H2' H 0.1440 0.1194 0.6466 0.063 Uiso 1 1 calc R . .
C3' C 0.2099(6) 0.1847(5) 0.6345(5) 0.055(3) Uani 1 1 d . . .
H3' H 0.1981 0.1793 0.5852 0.066 Uiso 1 1 calc R . .
C4' C 0.2592(6) 0.2286(5) 0.6698(5) 0.048(3) Uani 1 1 d . . .
H4' H 0.2793 0.2539 0.6449 0.057 Uiso 1 1 calc R . .
C5' C 0.2776(4) 0.2336(4) 0.7438(5) 0.034(2) Uani 1 1 d . . .
C6' C 0.3330(4) 0.2730(4) 0.7924(5) 0.034(2) Uani 1 1 d . . .
C7' C 0.3992(5) 0.2902(4) 0.9190(5) 0.034(2) Uani 1 1 d . . .
C8' C 0.3929(6) 0.3509(5) 0.9254(7) 0.068(4) Uani 1 1 d . . .
H8' H 0.3565 0.3720 0.8897 0.081 Uiso 1 1 calc R . .
C9' C 0.4400(7) 0.3788(6) 0.9839(8) 0.085(5) Uani 1 1 d . . .
H9' H 0.4355 0.4192 0.9899 0.102 Uiso 1 1 calc R . .
C10' C 0.4945(6) 0.3473(6) 1.0345(6) 0.070(4) Uani 1 1 d . . .
H10' H 0.5286 0.3659 1.0745 0.084 Uiso 1 1 calc R . .
C11' C 0.4974(5) 0.2887(5) 1.0247(6) 0.061(3) Uani 1 1 d . . .
H11' H 0.5336 0.2671 1.0600 0.073 Uiso 1 1 calc R . .
C12' C 0.1696(5) 0.1278(4) 0.9151(5) 0.040(2) Uani 1 1 d . . .
C13' C 0.1046(7) 0.1557(6) 0.9087(8) 0.075(4) Uani 1 1 d . . .
H13' H 0.0806 0.1802 0.8696 0.090 Uiso 1 1 calc R . .
C14' C 0.0761(9) 0.1462(8) 0.9624(11) 0.121(7) Uani 1 1 d . . .
H14' H 0.0314 0.1636 0.9585 0.145 Uiso 1 1 calc R . .
C15' C 0.1122(10) 0.1124(8) 1.0198(9) 0.103(5) Uani 1 1 d . . .
H15' H 0.0954 0.1084 1.0578 0.124 Uiso 1 1 calc R . .
C16' C 0.1749(7) 0.0837(6) 1.0203(7) 0.067(3) Uani 1 1 d . . .
H16' H 0.1982 0.0576 1.0579 0.080 Uiso 1 1 calc R . .
C17' C 0.1666(5) 0.1238(4) 0.7931(5) 0.039(2) Uani 1 1 d . . .
C18' C 0.3716(4) 0.1482(4) 1.0083(4) 0.030(2) Uani 1 1 d . . .
C19' C 0.3999(5) 0.1393(4) 1.0821(5) 0.039(2) Uani 1 1 d . . .
H19' H 0.4350 0.1101 1.1029 0.047 Uiso 1 1 calc R . .
C20' C 0.3729(5) 0.1768(5) 1.1254(5) 0.045(3) Uani 1 1 d . . .
H20' H 0.3911 0.1723 1.1754 0.054 Uiso 1 1 calc R . .
C21' C 0.3217(5) 0.2182(4) 1.0944(4) 0.041(2) Uani 1 1 d . . .
H21' H 0.3042 0.2426 1.1224 0.049 Uiso 1 1 calc R . .
C22' C 0.2953(4) 0.2240(4) 1.0197(5) 0.031(2) Uani 1 1 d . . .
C23' C 0.2389(5) 0.2684(4) 0.9749(5) 0.039(2) Uani 1 1 d . . .
C24' C 0.1741(5) 0.2997(5) 0.8537(5) 0.040(2) Uani 1 1 d . . .
C25' C 0.1733(5) 0.3590(5) 0.8671(6) 0.053(3) Uani 1 1 d . . .
H25' H 0.2078 0.3749 0.9090 0.063 Uiso 1 1 calc R . .
C26' C 0.1219(6) 0.3950(5) 0.8193(7) 0.062(3) Uani 1 1 d . . .
H26' H 0.1192 0.4349 0.8292 0.074 Uiso 1 1 calc R . .
C27' C 0.0738(6) 0.3699(5) 0.7553(6) 0.068(4) Uani 1 1 d . . .
H27' H 0.0388 0.3927 0.7204 0.081 Uiso 1 1 calc R . .
C28' C 0.0801(6) 0.3108(6) 0.7462(6) 0.072(4) Uani 1 1 d . . .
H28' H 0.0483 0.2940 0.7034 0.087 Uiso 1 1 calc R . .
C29' C 0.3836(5) 0.1203(4) 0.8310(5) 0.038(2) Uani 1 1 d . . .
C30' C 0.4500(6) 0.1433(5) 0.8335(6) 0.057(3) Uani 1 1 d . . .
H30' H 0.4783 0.1666 0.8723 0.068 Uiso 1 1 calc R . .
C31' C 0.4742(7) 0.1313(6) 0.7776(9) 0.077(4) Uani 1 1 d . . .
H31' H 0.5188 0.1464 0.7777 0.092 Uiso 1 1 calc R . .
C32' C 0.4300(9) 0.0959(7) 0.7214(7) 0.081(5) Uani 1 1 d . . .
H32' H 0.4446 0.0857 0.6833 0.097 Uiso 1 1 calc R . .
C33' C 0.3650(8) 0.0769(6) 0.7239(7) 0.073(4) Uani 1 1 d . . .
H33' H 0.3346 0.0546 0.6851 0.087 Uiso 1 1 calc R . .
C34' C 0.3922(5) 0.1143(4) 0.9531(5) 0.032(2) Uani 1 1 d . . .
C18 C 0.4298(5) 0.1102(5) 0.4748(5) 0.043(3) Uani 1 1 d . . .
C19 C 0.5058(5) 0.1033(5) 0.4966(6) 0.058(3) Uani 1 1 d . . .
H19 H 0.5304 0.0756 0.5316 0.070 Uiso 1 1 calc R . .
C20 C 0.5438(6) 0.1376(6) 0.4660(8) 0.073(4) Uani 1 1 d . . .
H20 H 0.5947 0.1330 0.4798 0.087 Uiso 1 1 calc R . .
C21 C 0.5062(6) 0.1803(5) 0.4131(8) 0.071(4) Uani 1 1 d . . .
H21 H 0.5315 0.2046 0.3922 0.085 Uiso 1 1 calc R . .
C22 C 0.4299(5) 0.1844(5) 0.3938(7) 0.051(3) Uani 1 1 d . . .
C23 C 0.3794(6) 0.2244(5) 0.3388(7) 0.065(3) Uani 1 1 d . . .
C24 C 0.2532(5) 0.2517(5) 0.2843(6) 0.045(3) Uani 1 1 d . . .
C25 C 0.2243(5) 0.2355(5) 0.2157(5) 0.044(3) Uani 1 1 d . . .
H25 H 0.2410 0.2020 0.1992 0.053 Uiso 1 1 calc R . .
C26 C 0.1697(8) 0.2694(7) 0.1707(8) 0.089(5) Uani 1 1 d . . .
H26 H 0.1494 0.2591 0.1221 0.107 Uiso 1 1 calc R . .
C27 C 0.1434(7) 0.3177(8) 0.1935(11) 0.091(5) Uani 1 1 d . . .
H27 H 0.1043 0.3391 0.1613 0.110 Uiso 1 1 calc R . .
C28 C 0.1745(8) 0.3349(7) 0.2640(11) 0.097(5) Uani 1 1 d . . .
H28 H 0.1578 0.3690 0.2795 0.116 Uiso 1 1 calc R . .
C29 C 0.2547(5) 0.0659(4) 0.4943(4) 0.031(2) Uani 1 1 d . . .
C30 C 0.2633(6) 0.0162(6) 0.5358(7) 0.068(4) Uani 1 1 d . . .
H30 H 0.3077 -0.0045 0.5511 0.081 Uiso 1 1 calc R . .
C31 C 0.2051(8) -0.0028(6) 0.5549(8) 0.085(5) Uani 1 1 d . . .
H31 H 0.2103 -0.0374 0.5816 0.103 Uiso 1 1 calc R . .
C32 C 0.1399(7) 0.0282(6) 0.5351(7) 0.061(3) Uani 1 1 d . . .
H32 H 0.1013 0.0173 0.5497 0.073 Uiso 1 1 calc R . .
C33 C 0.1361(6) 0.0752(6) 0.4932(7) 0.063(3) Uani 1 1 d . . .
H33 H 0.0915 0.0957 0.4760 0.075 Uiso 1 1 calc R . .
C34 C 0.3809(5) 0.0750(5) 0.5038(5) 0.040(2) Uani 1 1 d . . .
N1X N 0.8765(6) 0.0795(4) 0.7038(6) 0.064(3) Uani 1 1 d . . .
N1Y N 0.7381(5) 0.0689(4) 0.1033(5) 0.061(3) Uani 1 1 d . . .
C1X C 0.9415(7) 0.0401(7) 0.7325(8) 0.084(4) Uani 1 1 d . . .
H1X1 H 0.9294 0.0088 0.7597 0.101 Uiso 1 1 calc R . .
H1X2 H 0.9818 0.0627 0.7663 0.101 Uiso 1 1 calc R . .
C2X C 0.9699(7) 0.0114(6) 0.6787(8) 0.090(5) Uani 1 1 d . . .
H2X1 H 0.9310 -0.0112 0.6443 0.135 Uiso 1 1 calc R . .
H2X2 H 1.0105 -0.0144 0.7038 0.135 Uiso 1 1 calc R . .
H2X3 H 0.9863 0.0414 0.6539 0.135 Uiso 1 1 calc R . .
C3X C 0.8878(8) 0.1287(6) 0.6573(8) 0.082(4) Uani 1 1 d . . .
H3X1 H 0.8916 0.1113 0.6142 0.099 Uiso 1 1 calc R . .
H3X2 H 0.8444 0.1539 0.6421 0.099 Uiso 1 1 calc R . .
C4X C 0.9539(8) 0.1660(5) 0.6927(8) 0.080(4) Uani 1 1 d . . .
H4X1 H 0.9432 0.1946 0.7232 0.121 Uiso 1 1 calc R . .
H4X2 H 0.9670 0.1860 0.6565 0.121 Uiso 1 1 calc R . .
H4X3 H 0.9944 0.1415 0.7213 0.121 Uiso 1 1 calc R . .
C5X C 0.8619(10) 0.1079(7) 0.7661(9) 0.108(6) Uani 1 1 d . . .
H5X1 H 0.8199 0.1341 0.7462 0.129 Uiso 1 1 calc R . .
H5X2 H 0.9043 0.1322 0.7925 0.129 Uiso 1 1 calc R . .
C6X C 0.8466(15) 0.0671(8) 0.8203(13) 0.189(11) Uani 1 1 d . . .
H6X1 H 0.8106 0.0379 0.7948 0.284 Uiso 1 1 calc R . .
H6X2 H 0.8279 0.0899 0.8506 0.284 Uiso 1 1 calc R . .
H6X3 H 0.8916 0.0478 0.8496 0.284 Uiso 1 1 calc R . .
C7X C 0.8114(7) 0.0421(6) 0.6587(8) 0.086(4) Uani 1 1 d . . .
H7X1 H 0.8238 0.0238 0.6204 0.103 Uiso 1 1 calc R . .
H7X2 H 0.8050 0.0106 0.6890 0.103 Uiso 1 1 calc R . .
C8X C 0.7395(7) 0.0729(7) 0.6252(9) 0.104(5) Uani 1 1 d . . .
H8X1 H 0.7252 0.0900 0.6624 0.157 Uiso 1 1 calc R . .
H8X2 H 0.7026 0.0451 0.5979 0.157 Uiso 1 1 calc R . .
H8X3 H 0.7442 0.1035 0.5938 0.157 Uiso 1 1 calc R . .
C1Y C 0.8164(7) 0.0921(6) 0.1200(7) 0.072(4) Uani 1 1 d . . .
H1Y1 H 0.8150 0.1215 0.0840 0.086 Uiso 1 1 calc R . .
H1Y2 H 0.8326 0.1118 0.1665 0.086 Uiso 1 1 calc R . .
C2Y C 0.8729(8) 0.0459(8) 0.1218(9) 0.109(6) Uani 1 1 d . . .
H2Y1 H 0.8784 0.0185 0.1603 0.164 Uiso 1 1 calc R . .
H2Y2 H 0.9195 0.0646 0.1296 0.164 Uiso 1 1 calc R . .
H2Y3 H 0.8568 0.0250 0.0766 0.164 Uiso 1 1 calc R . .
C3Y C 0.7092(7) 0.0401(6) 0.0289(7) 0.073(4) Uani 1 1 d . . .
H3Y1 H 0.7396 0.0058 0.0298 0.087 Uiso 1 1 calc R . .
H3Y2 H 0.6593 0.0261 0.0194 0.087 Uiso 1 1 calc R . .
C4Y C 0.7080(9) 0.0799(7) -0.0332(8) 0.106(5) Uani 1 1 d . . .
H4Y1 H 0.6802 0.1150 -0.0334 0.159 Uiso 1 1 calc R . .
H4Y2 H 0.6854 0.0592 -0.0781 0.159 Uiso 1 1 calc R . .
H4Y3 H 0.7578 0.0905 -0.0274 0.159 Uiso 1 1 calc R . .
C5Y C 0.6923(8) 0.1212(6) 0.1064(7) 0.074(4) Uani 1 1 d . . .
H5Y1 H 0.7003 0.1521 0.0762 0.089 Uiso 1 1 calc R . .
H5Y2 H 0.7104 0.1359 0.1557 0.089 Uiso 1 1 calc R . .
C6Y C 0.6099(9) 0.1111(7) 0.0833(10) 0.119(6) Uani 1 1 d . . .
H6Y1 H 0.5890 0.1052 0.0320 0.179 Uiso 1 1 calc R . .
H6Y2 H 0.5873 0.1449 0.0960 0.179 Uiso 1 1 calc R . .
H6Y3 H 0.6010 0.0767 0.1073 0.179 Uiso 1 1 calc R . .
C7Y C 0.7360(8) 0.0209(5) 0.1549(7) 0.074(4) Uani 1 1 d . . .
H7Y1 H 0.6851 0.0085 0.1428 0.089 Uiso 1 1 calc R . .
H7Y2 H 0.7635 -0.0129 0.1479 0.089 Uiso 1 1 calc R . .
C8Y C 0.7670(9) 0.0380(7) 0.2334(7) 0.102(5) Uani 1 1 d . . .
H8Y1 H 0.8189 0.0463 0.2474 0.153 Uiso 1 1 calc R . .
H8Y2 H 0.7601 0.0061 0.2621 0.153 Uiso 1 1 calc R . .
H8Y3 H 0.7419 0.0726 0.2407 0.153 Uiso 1 1 calc R . .
O1W O 0.4772(5) 1.0000(4) 0.0933(5) 0.089(3) 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
N6 Co1 N1 175.2(3) . . ?
N6 Co1 N7 81.1(3) . . ?
N1 Co1 N7 94.4(3) . . ?
N6 Co1 N4 97.5(3) . . ?
N1 Co1 N4 80.8(3) . . ?
N7 Co1 N4 91.5(3) . . ?
N6 Co1 N2 99.7(3) . . ?
N1 Co1 N2 82.0(3) . . ?
N7 Co1 N2 89.9(3) . . ?
N4 Co1 N2 162.8(3) . . ?
N6 Co1 N9 81.3(3) . . ?
N1 Co1 N9 103.2(3) . . ?
N7 Co1 N9 162.4(3) . . ?
N4 Co1 N9 91.5(3) . . ?
N2 Co1 N9 92.3(3) . . ?
N1' Co2 N6' 174.0(3) . . ?
N1' Co2 N2' 81.6(3) . . ?
N6' Co2 N2' 96.3(3) . . ?
N1' Co2 N9' 93.3(3) . . ?
N6' Co2 N9' 81.2(3) . . ?
N2' Co2 N9' 93.3(3) . . ?
N1' Co2 N4' 80.3(3) . . ?
N6' Co2 N4' 102.0(3) . . ?
N2' Co2 N4' 161.6(3) . . ?
N9' Co2 N4' 90.5(3) . . ?
N1' Co2 N7' 104.5(3) . . ?
N6' Co2 N7' 81.1(3) . . ?
N2' Co2 N7' 91.9(3) . . ?
N9' Co2 N7' 162.1(3) . . ?
N4' Co2 N7' 89.9(3) . . ?
C5 N1 C1 123.4(8) . . ?
C5 N1 Co1 117.8(7) . . ?
C1 N1 Co1 118.8(6) . . ?
C6 N2 C7 120.2(8) . . ?
C6 N2 Co1 114.7(6) . . ?
C7 N2 Co1 123.9(6) . . ?
C7 N3 C11 118.1(10) . . ?
C17 N4 C12 117.5(8) . . ?
C17 N4 Co1 116.4(6) . . ?
C12 N4 Co1 125.5(6) . . ?
C16 N5 C12 115.8(11) . . ?
C1' N1' C5' 122.6(7) . . ?
C1' N1' Co2 118.1(6) . . ?
C5' N1' Co2 118.9(6) . . ?
C17' N2' C12' 119.4(7) . . ?
C17' N2' Co2 116.0(6) . . ?
C12' N2' Co2 122.9(5) . . ?
C12' N3' C16' 116.4(10) . . ?
C6' N4' C7' 120.4(8) . . ?
C6' N4' Co2 116.6(5) . . ?
C7' N4' Co2 122.5(6) . . ?
C7' N5' C11' 117.7(9) . . ?
C18' N6' C22' 122.0(7) . . ?
C18' N6' Co2 118.6(6) . . ?
C22' N6' Co2 119.2(6) . . ?
C24' N7' C24' 119.1(8) . . ?
C28' N8' C24' 116.9(10) . . ?
C34' N9' C29' 116.8(7) . . ?
C34' N9' Co2 116.4(6) . . ?
C29' N9' Co2 125.9(5) . . ?
C29' N10' C33' 116.2(10) . . ?
C18 N6 C22 122.9(8) . . ?
C18 N6 Co1 119.3(7) . . ?
C22 N6 Co1 117.8(6) . . ?
C23 N7 C24 118.1(9) . . ?
C23 N7 Co1 117.4(7) . . ?
C24 N7 Co1 124.5(6) . . ?
C28 N8 C24 116.8(13) . . ?
C34 N9 C29 120.2(7) . . ?
C34 N9 Co1 113.2(6) . . ?
C29 N9 Co1 126.6(5) . . ?
C29 N10 C33 119.2(9) . . ?
N1 C1 C2 120.0(8) . . ?
N1 C1 C17 112.7(8) . . ?
C2 C1 C17 127.3(9) . . ?
C1 C2 C3 116.9(10) . . ?
C1 C2 H2 121.5 . . ?
C3 C2 H2 121.5 . . ?
C4 C3 C2 121.8(10) . . ?
C4 C3 H3 119.1 . . ?
C2 C3 H3 119.1 . . ?
C3 C4 C5 119.3(11) . . ?
C3 C4 H4 120.3 . . ?
C5 C4 H4 120.3 . . ?
N1 C5 C4 118.5(10) . . ?
N1 C5 C6 114.4(8) . . ?
C4 C5 C6 127.1(10) . . ?
O1 C6 N2 128.3(10) . . ?
O1 C6 C5 120.8(9) . . ?
N2 C6 C5 110.8(8) . . ?
N3 C7 C8 121.5(10) . . ?
N3 C7 N2 116.8(9) . . ?
C8 C7 N2 121.6(9) . . ?
C9 C8 C7 118.7(11) . . ?
C9 C8 H8 120.6 . . ?
C7 C8 H8 120.6 . . ?
C10 C9 C8 120.2(12) . . ?
C10 C9 H9 119.9 . . ?
C8 C9 H9 119.9 . . ?
C9 C10 C11 117.2(12) . . ?
C9 C10 H10 121.4 . . ?
C11 C10 H10 121.4 . . ?
N3 C11 C10 124.2(12) . . ?
N3 C11 H11 117.9 . . ?
C10 C11 H11 117.9 . . ?
C13 C12 N5 125.1(9) . . ?
C13 C12 N4 119.7(10) . . ?
N5 C12 N4 115.2(8) . . ?
C12 C13 C14 117.1(13) . . ?
C12 C13 H13 121.5 . . ?
C14 C13 H13 121.5 . . ?
C13 C14 C15 119.9(13) . . ?
C13 C14 H14 120.0 . . ?
C15 C14 H14 120.0 . . ?
C16 C15 C14 118.5(14) . . ?
C16 C15 H15 120.8 . . ?
C14 C15 H15 120.8 . . ?
C15 C16 N5 123.6(14) . . ?
C15 C16 H16 118.2 . . ?
N5 C16 H16 118.2 . . ?
O2 C17 N4 127.7(8) . . ?
O2 C17 C1 121.0(9) . . ?
N4 C17 C1 111.2(8) . . ?
N1' C1' C2' 120.5(9) . . ?
N1' C1' C17' 113.3(7) . . ?
C2' C1' C17' 126.2(9) . . ?
C1' C2' C3' 117.8(10) . . ?
C1' C2' H2' 121.1 . . ?
C3' C2' H2' 121.1 . . ?
C4' C3' C2' 121.5(9) . . ?
C4' C3' H3' 119.2 . . ?
C2' C3' H3' 119.2 . . ?
C3' C4' C5' 117.4(10) . . ?
C3' C4' H4' 121.3 . . ?
C5' C4' H4' 121.3 . . ?
N1' C5' C4' 120.0(8) . . ?
N1' C5' C6' 113.3(8) . . ?
C4' C5' C6' 126.6(9) . . ?
O2' C6' N4' 127.2(8) . . ?
O2' C6' C5' 122.4(8) . . ?
N4' C6' C5' 110.4(8) . . ?
N5' C7' C8' 121.5(9) . . ?
N5' C7' N4' 116.9(8) . . ?
C8' C7' N4' 121.5(8) . . ?
C9' C8' C7' 119.2(11) . . ?
C9' C8' H8' 120.4 . . ?
C7' C8' H8' 120.4 . . ?
C8' C9' C10' 119.5(12) . . ?
C8' C9' H9' 120.2 . . ?
C10' C9' H9' 120.2 . . ?
C11' C10' C9' 118.0(10) . . ?
C11' C10' H10' 121.0 . . ?
C9' C10' H10' 121.0 . . ?
N5' C11' C10' 124.1(10) . . ?
N5' C11' H11' 118.0 . . ?
C10' C11' H11' 118.0 . . ?
N3' C12' C13' 123.7(10) . . ?
N3' C12' N2' 118.1(9) . . ?
C13' C12' N2' 118.2(9) . . ?
C12' C13' C14' 118.0(13) . . ?
C12' C13' H13' 121.0 . . ?
C14' C13' H13' 121.0 . . ?
C15' C14' C13' 120.8(14) . . ?
C15' C14' H14' 119.6 . . ?
C13' C14' H14' 119.6 . . ?
C14' C15' C16' 117.5(14) . . ?
C14' C15' H15' 121.3 . . ?
C16' C15' H15' 121.3 . . ?
C15' C16' N3' 123.4(12) . . ?
C15' C16' H16' 118.3 . . ?
N3' C16' H16' 118.3 . . ?
O1' C17' N2' 127.6(10) . . ?
O1' C17' C1' 122.4(8) . . ?
N2' C17' C1' 110.0(8) . . ?
N6' C18' C19' 120.6(8) . . ?
N6' C18' C34' 113.2(7) . . ?
C19' C18' C34' 126.2(8) . . ?
C18' C19' C20' 117.3(8) . . ?
C18' C19' H19' 121.3 . . ?
C20' C19' H19' 121.3 . . ?
C21' C20' C19' 120.5(8) . . ?
C21' C20' H20' 119.7 . . ?
C19' C20' H20' 119.7 . . ?
C20' C21' C22' 118.6(9) . . ?
C20' C21' H21' 120.7 . . ?
C22' C21' H21' 120.7 . . ?
N6' C22' C21' 120.9(8) . . ?
N8' C24' C25' 122.3(9) . . ?
N8' C24' N7' 116.5(9) . . ?
C25' C24' N7' 121.2(8) . . ?
C26' C25' C24' 120.3(10) . . ?
C26' C25' H25' 119.8 . . ?
C24' C25' H25' 119.8 . . ?
C25' C26' C27' 118.0(10) . . ?
C25' C26' H26' 121.0 . . ?
C27' C26' H26' 121.0 . . ?
C28' C27' C26' 117.2(9) . . ?
C28' C27' H27' 121.4 . . ?
C26' C27' H27' 121.4 . . ?
N8' C28' C27' 125.3(10) . . ?
N8' C28' H28' 117.4 . . ?
C27' C28' H28' 117.4 . . ?
N10' C29' C30' 123.6(10) . . ?
N10' C29' N9' 117.2(8) . . ?
C30' C29' N9' 119.0(9) . . ?
C29' C30' C31' 119.1(11) . . ?
C29' C30' H30' 120.5 . . ?
C31' C30' H30' 120.5 . . ?
C30' C31' C32' 118.0(12) . . ?
C30' C31' H31' 121.0 . . ?
C32' C31' H31' 121.0 . . ?
C33' C32' C31' 117.7(12) . . ?
C33' C32' H32' 121.2 . . ?
C31' C32' H32' 121.2 . . ?
N10' C33' C32' 125.4(12) . . ?
N10' C33' H33' 117.3 . . ?
C32' C33' H33' 117.3 . . ?
O3' C34' N9' 128.3(8) . . ?
O3' C34' C18' 121.3(8) . . ?
N9' C34' C18' 110.1(7) . . ?
N6 C18 C19 120.4(10) . . ?
N6 C18 C34 114.9(8) . . ?
C19 C18 C34 124.7(9) . . ?
C20 C19 C18 119.1(10) . . ?
C20 C19 H19 120.4 . . ?
C18 C19 H19 120.4 . . ?
C19 C20 C21 120.3(10) . . ?
C19 C20 H20 119.9 . . ?
C21 C20 H20 119.9 . . ?
C22 C21 C20 117.2(10) . . ?
C22 C21 H21 121.4 . . ?
C20 C21 H21 121.4 . . ?
N6 C22 C21 120.0(10) . . ?
N6 C22 C23 113.4(8) . . ?
C21 C22 C23 126.6(10) . . ?
O3 C23 N7 128.5(11) . . ?
O3 C23 C22 121.2(10) . . ?
N7 C23 C22 110.3(10) . . ?
C25 C24 N8 123.4(9) . . ?
C25 C24 N7 119.8(10) . . ?
N8 C24 N7 116.7(10) . . ?
C24 C25 C26 117.6(11) . . ?
C24 C25 H25 121.2 . . ?
C26 C25 H25 121.2 . . ?
C25 C26 C27 122.5(14) . . ?
C25 C26 H26 118.8 . . ?
C27 C26 H26 118.8 . . ?
C26 C27 C28 119.7(13) . . ?
C26 C27 H27 120.2 . . ?
C28 C27 H27 120.2 . . ?
C27 C28 N8 119.9(14) . . ?
C27 C28 H28 120.0 . . ?
N8 C28 H28 120.0 . . ?
N10 C29 C30 119.4(9) . . ?
N10 C29 N9 114.3(8) . . ?
C30 C29 N9 126.2(9) . . ?
C29 C30 C31 119.3(11) . . ?
C29 C30 H30 120.4 . . ?
C31 C30 H30 120.4 . . ?
C32 C31 C30 121.4(12) . . ?
C32 C31 H31 119.3 . . ?
C30 C31 H31 119.3 . . ?
C33 C32 C31 114.9(11) . . ?
C33 C32 H32 122.6 . . ?
C31 C32 H32 122.6 . . ?
C32 C33 N10 125.6(11) . . ?
C32 C33 H33 117.2 . . ?
N10 C33 H33 117.2 . . ?
O4 C34 N9 128.2(9) . . ?
O4 C34 C18 120.4(8) . . ?
N9 C34 C18 111.4(8) . . ?
C1X N1X C5X 109.2(11) . . ?
C1X N1X C3X 112.7(10) . . ?
C5X N1X C3X 107.6(10) . . ?
C1X N1X C7X 107.5(10) . . ?
C5X N1X C7X 110.9(11) . . ?
C3X N1X C7X 108.9(10) . . ?
C5Y N1Y C7Y 112.2(10) . . ?
C5Y N1Y C3Y 111.4(9) . . ?
C7Y N1Y C3Y 105.2(9) . . ?
C5Y N1Y C1Y 106.2(9) . . ?
C7Y N1Y C1Y 111.9(9) . . ?
C3Y N1Y C1Y 110.1(10) . . ?
N1X C1X C2X 117.7(11) . . ?
N1X C1X H1X1 107.9 . . ?
C2X C1X H1X1 107.9 . . ?
N1X C1X H1X2 107.9 . . ?
C2X C1X H1X2 107.9 . . ?
H1X1 C1X H1X2 107.2 . . ?
C1X C2X H2X1 109.5 . . ?
C1X C2X H2X2 109.5 . . ?
H2X1 C2X H2X2 109.5 . . ?
C1X C2X H2X3 109.5 . . ?
H2X1 C2X H2X3 109.5 . . ?
H2X2 C2X H2X3 109.5 . . ?
C4X C3X N1X 114.9(11) . . ?
C4X C3X H3X1 108.5 . . ?
N1X C3X H3X1 108.5 . . ?
C4X C3X H3X2 108.5 . . ?
N1X C3X H3X2 108.5 . . ?
H3X1 C3X H3X2 107.5 . . ?
C3X C4X H4X1 109.5 . . ?
C3X C4X H4X2 109.5 . . ?
H4X1 C4X H4X2 109.5 . . ?
C3X C4X H4X3 109.5 . . ?
H4X1 C4X H4X3 109.5 . . ?
H4X2 C4X H4X3 109.5 . . ?
N1X C5X C6X 117.8(13) . . ?
N1X C5X H5X1 107.9 . . ?
C6X C5X H5X1 107.9 . . ?
N1X C5X H5X2 107.9 . . ?
C6X C5X H5X2 107.9 . . ?
H5X1 C5X H5X2 107.2 . . ?
C5X C6X H6X1 109.5 . . ?
C5X C6X H6X2 109.5 . . ?
H6X1 C6X H6X2 109.5 . . ?
C5X C6X H6X3 109.5 . . ?
H6X1 C6X H6X3 109.5 . . ?
H6X2 C6X H6X3 109.5 . . ?
C8X C7X N1X 116.7(12) . . ?
C8X C7X H7X1 108.1 . . ?
N1X C7X H7X1 108.1 . . ?
C8X C7X H7X2 108.1 . . ?
N1X C7X H7X2 108.1 . . ?
H7X1 C7X H7X2 107.3 . . ?
C7X C8X H8X1 109.5 . . ?
C7X C8X H8X2 109.5 . . ?
H8X1 C8X H8X2 109.5 . . ?
C7X C8X H8X3 109.5 . . ?
H8X1 C8X H8X3 109.5 . . ?
H8X2 C8X H8X3 109.5 . . ?
C2Y C1Y N1Y 115.2(11) . . ?
C2Y C1Y H1Y1 108.5 . . ?
N1Y C1Y H1Y1 108.5 . . ?
C2Y C1Y H1Y2 108.5 . . ?
N1Y C1Y H1Y2 108.5 . . ?
H1Y1 C1Y H1Y2 107.5 . . ?
C1Y C2Y H2Y1 109.5 . . ?
C1Y C2Y H2Y2 109.5 . . ?
H2Y1 C2Y H2Y2 109.5 . . ?
C1Y C2Y H2Y3 109.5 . . ?
H2Y1 C2Y H2Y3 109.5 . . ?
H2Y2 C2Y H2Y3 109.5 . . ?
C4Y C3Y N1Y 115.2(10) . . ?
C4Y C3Y H3Y1 108.5 . . ?
N1Y C3Y H3Y1 108.5 . . ?
C4Y C3Y H3Y2 108.5 . . ?
N1Y C3Y H3Y2 108.5 . . ?
H3Y1 C3Y H3Y2 107.5 . . ?
C3Y C4Y H4Y1 109.5 . . ?
C3Y C4Y H4Y2 109.5 . . ?
H4Y1 C4Y H4Y2 109.5 . . ?
C3Y C4Y H4Y3 109.5 . . ?
H4Y1 C4Y H4Y3 109.5 . . ?
H4Y2 C4Y H4Y3 109.5 . . ?
N1Y C5Y C6Y 116.6(11) . . ?
N1Y C5Y H5Y1 108.1 . . ?
C6Y C5Y H5Y1 108.1 . . ?
N1Y C5Y H5Y2 108.1 . . ?
C6Y C5Y H5Y2 108.1 . . ?
H5Y1 C5Y H5Y2 107.3 . . ?
C5Y C6Y H6Y1 109.5 . . ?
C5Y C6Y H6Y2 109.5 . . ?
H6Y1 C6Y H6Y2 109.5 . . ?
C5Y C6Y H6Y3 109.5 . . ?
H6Y1 C6Y H6Y3 109.5 . . ?
H6Y2 C6Y H6Y3 109.5 . . ?
C8Y C7Y N1Y 114.9(10) . . ?
C8Y C7Y H7Y1 108.5 . . ?
N1Y C7Y H7Y1 108.5 . . ?
C8Y C7Y H7Y2 108.5 . . ?
N1Y C7Y H7Y2 108.5 . . ?
H7Y1 C7Y H7Y2 107.5 . . ?
C7Y C8Y H8Y1 109.5 . . ?
C7Y C8Y H8Y2 109.5 . . ?
H8Y1 C8Y H8Y2 109.5 . . ?
C7Y C8Y H8Y3 109.5 . . ?
H8Y1 C8Y H8Y3 109.5 . . ?
H8Y2 C8Y H8Y3 109.5 . . ?
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 N6 1.870(7) . ?
Co1 N1 1.872(7) . ?
Co1 N7 1.935(8) . ?
Co1 N4 1.962(8) . ?
Co1 N2 1.998(7) . ?
Co1 N9 2.048(7) . ?
Co2 N1' 1.866(7) . ?
Co2 N6' 1.872(7) . ?
Co2 N2' 1.958(7) . ?
Co2 N9' 1.958(7) . ?
Co2 N4' 1.960(8) . ?
Co2 N7' 1.987(7) . ?
O1 C6 1.216(10) . ?
O2 C17 1.246(11) . ?
O1' C17' 1.227(10) . ?
O2' C6' 1.259(11) . ?
O3' C34' 1.221(9) . ?
O3 C23 1.242(13) . ?
O4 C34 1.224(11) . ?
N1 C5 1.336(11) . ?
N1 C1 1.340(11) . ?
N2 C6 1.356(10) . ?
N2 C7 1.400(12) . ?
N3 C7 1.328(12) . ?
N3 C11 1.346(13) . ?
N4 C17 1.343(11) . ?
N4 C12 1.424(11) . ?
N5 C16 1.356(14) . ?
N5 C12 1.360(13) . ?
N1' C1' 1.317(11) . ?
N1' C5' 1.341(11) . ?
N2' C17' 1.346(11) . ?
N2' C12' 1.440(12) . ?
N3' C12' 1.313(12) . ?
N3' C16' 1.378(14) . ?
N4' C6' 1.353(11) . ?
N4' C7' 1.417(11) . ?
N5' C7' 1.318(11) . ?
N5' C11' 1.330(12) . ?
N6' C18' 1.324(10) . ?
N6' C22' 1.339(11) . ?
N8' C28' 1.325(13) . ?
N8' C24' 1.329(11) . ?
N9' C34' 1.350(10) . ?
N9' C29' 1.440(11) . ?
N10' C29' 1.315(12) . ?
N10' C33' 1.336(15) . ?
N6 C18 1.312(11) . ?
N6 C22 1.335(12) . ?
N7 C23 1.335(12) . ?
N7 C24 1.429(11) . ?
N8 C28 1.374(16) . ?
N8 C24 1.403(15) . ?
N9 C34 1.362(11) . ?
N9 C29 1.403(11) . ?
N10 C29 1.332(11) . ?
N10 C33 1.340(13) . ?
C1 C2 1.383(12) . ?
C1 C17 1.480(12) . ?
C2 C3 1.395(15) . ?
C2 H2 0.9300 . ?
C3 C4 1.356(17) . ?
C3 H3 0.9300 . ?
C4 C5 1.383(13) . ?
C4 H4 0.9300 . ?
C5 C6 1.504(14) . ?
C7 C8 1.398(14) . ?
C8 C9 1.388(15) . ?
C8 H8 0.9300 . ?
C9 C10 1.366(17) . ?
C9 H9 0.9300 . ?
C10 C11 1.378(17) . ?
C10 H10 0.9300 . ?
C11 H11 0.9300 . ?
C12 C13 1.325(13) . ?
C13 C14 1.387(18) . ?
C13 H13 0.9300 . ?
C14 C15 1.39(2) . ?
C14 H14 0.9300 . ?
C15 C16 1.33(2) . ?
C15 H15 0.9300 . ?
C16 H16 0.9300 . ?
C1' C2' 1.377(13) . ?
C1' C17' 1.516(13) . ?
C2' C3' 1.381(15) . ?
C2' H2' 0.9300 . ?
C3' C4' 1.381(14) . ?
C3' H3' 0.9300 . ?
C4' C5' 1.386(12) . ?
C4' H4' 0.9300 . ?
C5' C6' 1.459(12) . ?
C7' C8' 1.388(14) . ?
C8' C9' 1.347(15) . ?
C8' H8' 0.9300 . ?
C9' C10' 1.364(17) . ?
C9' H9' 0.9300 . ?
C10' C11' 1.344(16) . ?
C10' H10' 0.9300 . ?
C11' H11' 0.9300 . ?
C12' C13' 1.374(14) . ?
C13' C14' 1.386(19) . ?
C13' H13' 0.9300 . ?
C14' C15' 1.34(2) . ?
C14' H14' 0.9300 . ?
C15' C16' 1.377(18) . ?
C15' H15' 0.9300 . ?
C16' H16' 0.9300 . ?
C18' C19' 1.382(11) . ?
C18' C34' 1.508(12) . ?
C19' C20' 1.438(13) . ?
C19' H19' 0.9300 . ?
C20' C21' 1.341(12) . ?
C20' H20' 0.9300 . ?
C21' C22' 1.390(11) . ?
C21' H21' 0.9300 . ?
C24' C25' 1.369(14) . ?
C25' C26' 1.367(13) . ?
C25' H25' 0.9300 . ?
C26' C27' 1.395(15) . ?
C26' H26' 0.9300 . ?
C27' C28' 1.362(15) . ?
C27' H27' 0.9300 . ?
C28' H28' 0.9300 . ?
C29' C30' 1.374(13) . ?
C30' C31' 1.382(17) . ?
C30' H30' 0.9300 . ?
C31' C32' 1.389(18) . ?
C31' H31' 0.9300 . ?
C32' C33' 1.353(18) . ?
C32' H32' 0.9300 . ?
C33' H33' 0.9300 . ?
C18 C19 1.387(12) . ?
C18 C34 1.507(14) . ?
C19 C20 1.357(16) . ?
C19 H19 0.9300 . ?
C20 C21 1.419(16) . ?
C20 H20 0.9300 . ?
C21 C22 1.392(13) . ?
C21 H21 0.9300 . ?
C22 C23 1.481(15) . ?
C24 C25 1.323(14) . ?
C25 C26 1.349(16) . ?
C25 H25 0.9300 . ?
C26 C27 1.35(2) . ?
C26 H26 0.9300 . ?
C27 C28 1.37(2) . ?
C27 H27 0.9300 . ?
C28 H28 0.9300 . ?
C29 C30 1.368(13) . ?
C30 C31 1.385(16) . ?
C30 H30 0.9300 . ?
C31 C32 1.374(16) . ?
C31 H31 0.9300 . ?
C32 C33 1.336(16) . ?
C32 H32 0.9300 . ?
C33 H33 0.9300 . ?
N1X C1X 1.480(15) . ?
N1X C5X 1.510(17) . ?
N1X C3X 1.512(15) . ?
N1X C7X 1.515(15) . ?
N1Y C5Y 1.495(15) . ?
N1Y C7Y 1.504(14) . ?
N1Y C3Y 1.523(14) . ?
N1Y C1Y 1.526(14) . ?
C1X C2X 1.517(19) . ?
C1X H1X1 0.9700 . ?
C1X H1X2 0.9700 . ?
C2X H2X1 0.9600 . ?
C2X H2X2 0.9600 . ?
C2X H2X3 0.9600 . ?
C3X C4X 1.483(16) . ?
C3X H3X1 0.9700 . ?
C3X H3X2 0.9700 . ?
C4X H4X1 0.9600 . ?
C4X H4X2 0.9600 . ?
C4X H4X3 0.9600 . ?
C5X C6X 1.53(2) . ?
C5X H5X1 0.9700 . ?
C5X H5X2 0.9700 . ?
C6X H6X1 0.9600 . ?
C6X H6X2 0.9600 . ?
C6X H6X3 0.9600 . ?
C7X C8X 1.483(17) . ?
C7X H7X1 0.9700 . ?
C7X H7X2 0.9700 . ?
C8X H8X1 0.9600 . ?
C8X H8X2 0.9600 . ?
C8X H8X3 0.9600 . ?
C1Y C2Y 1.507(18) . ?
C1Y H1Y1 0.9700 . ?
C1Y H1Y2 0.9700 . ?
C2Y H2Y1 0.9600 . ?
C2Y H2Y2 0.9600 . ?
C2Y H2Y3 0.9600 . ?
C3Y C4Y 1.522(19) . ?
C3Y H3Y1 0.9700 . ?
C3Y H3Y2 0.9700 . ?
C4Y H4Y1 0.9600 . ?
C4Y H4Y2 0.9600 . ?
C4Y H4Y3 0.9600 . ?
C5Y C6Y 1.513(18) . ?
C5Y H5Y1 0.9700 . ?
C5Y H5Y2 0.9700 . ?
C6Y H6Y1 0.9600 . ?
C6Y H6Y2 0.9600 . ?
C6Y H6Y3 0.9600 . ?
C7Y C8Y 1.503(18) . ?
C7Y H7Y1 0.9700 . ?
C7Y H7Y2 0.9700 . ?
C8Y H8Y1 0.9600 . ?
C8Y H8Y2 0.9600 . ?
C8Y H8Y3 0.9600 . ?
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
N6 Co1 N1 C5 109(4) . . . . ?
N7 Co1 N1 C5 88.1(7) . . . . ?
N4 Co1 N1 C5 178.9(7) . . . . ?
N2 Co1 N1 C5 -1.2(7) . . . . ?
N9 Co1 N1 C5 -91.7(7) . . . . ?
N6 Co1 N1 C1 -73(4) . . . . ?
N7 Co1 N1 C1 -94.0(7) . . . . ?
N4 Co1 N1 C1 -3.1(7) . . . . ?
N2 Co1 N1 C1 176.8(7) . . . . ?
N9 Co1 N1 C1 86.2(7) . . . . ?
N6 Co1 N2 C6 -171.1(7) . . . . ?
N1 Co1 N2 C6 4.3(7) . . . . ?
N7 Co1 N2 C6 -90.2(7) . . . . ?
N4 Co1 N2 C6 4.6(15) . . . . ?
N9 Co1 N2 C6 107.3(7) . . . . ?
N6 Co1 N2 C7 -3.8(8) . . . . ?
N1 Co1 N2 C7 171.6(8) . . . . ?
N7 Co1 N2 C7 77.1(7) . . . . ?
N4 Co1 N2 C7 171.9(9) . . . . ?
N9 Co1 N2 C7 -85.4(7) . . . . ?
N6 Co1 N4 C17 177.1(7) . . . . ?
N1 Co1 N4 C17 1.7(7) . . . . ?
N7 Co1 N4 C17 95.9(7) . . . . ?
N2 Co1 N4 C17 1.3(15) . . . . ?
N9 Co1 N4 C17 -101.5(7) . . . . ?
N6 Co1 N4 C12 6.0(8) . . . . ?
N1 Co1 N4 C12 -169.4(8) . . . . ?
N7 Co1 N4 C12 -75.2(8) . . . . ?
N2 Co1 N4 C12 -169.7(10) . . . . ?
N9 Co1 N4 C12 87.4(8) . . . . ?
N6' Co2 N1' C1' 60(3) . . . . ?
N2' Co2 N1' C1' -9.8(6) . . . . ?
N9' Co2 N1' C1' 83.0(7) . . . . ?
N4' Co2 N1' C1' 173.0(7) . . . . ?
N7' Co2 N1' C1' -99.7(7) . . . . ?
N6' Co2 N1' C5' -113(3) . . . . ?
N2' Co2 N1' C5' 177.6(7) . . . . ?
N9' Co2 N1' C5' -89.5(7) . . . . ?
N4' Co2 N1' C5' 0.5(6) . . . . ?
N7' Co2 N1' C5' 87.8(7) . . . . ?
N1' Co2 N2' C17' 6.6(6) . . . . ?
N6' Co2 N2' C17' -167.8(7) . . . . ?
N9' Co2 N2' C17' -86.2(7) . . . . ?
N4' Co2 N2' C17' 15.5(14) . . . . ?
N7' Co2 N2' C17' 110.9(7) . . . . ?
N1' Co2 N2' C12' -158.3(7) . . . . ?
N6' Co2 N2' C12' 27.3(7) . . . . ?
N9' Co2 N2' C12' 108.9(7) . . . . ?
N4' Co2 N2' C12' -149.4(9) . . . . ?
N7' Co2 N2' C12' -54.0(7) . . . . ?
N1' Co2 N4' C6' 4.8(6) . . . . ?
N6' Co2 N4' C6' 179.2(6) . . . . ?
N2' Co2 N4' C6' -4.2(14) . . . . ?
N9' Co2 N4' C6' 98.0(7) . . . . ?
N7' Co2 N4' C6' -99.9(7) . . . . ?
N1' Co2 N4' C7' 176.0(7) . . . . ?
N6' Co2 N4' C7' -9.6(7) . . . . ?
N2' Co2 N4' C7' 167.0(8) . . . . ?
N9' Co2 N4' C7' -90.8(7) . . . . ?
N7' Co2 N4' C7' 71.3(7) . . . . ?
N1' Co2 N6' C18' 19(3) . . . . ?
N2' Co2 N6' C18' 87.4(7) . . . . ?
N9' Co2 N6' C18' -5.0(7) . . . . ?
N4' Co2 N6' C18' -93.7(7) . . . . ?
N7' Co2 N6' C18' 178.3(7) . . . . ?
N1' Co2 N6' C22' -157(3) . . . . ?
N2' Co2 N6' C22' -88.1(7) . . . . ?
N9' Co2 N6' C22' 179.5(7) . . . . ?
N4' Co2 N6' C22' 90.9(7) . . . . ?
N7' Co2 N6' C22' 2.9(6) . . . . ?
N1' Co2 N7' C24' -5.5(7) . . . . ?
N6' Co2 N7' C24' 176.7(7) . . . . ?
N2' Co2 N7' C24' -87.3(7) . . . . ?
N9' Co2 N7' C24' 165.8(9) . . . . ?
N4' Co2 N7' C24' 74.5(7) . . . . ?
N1' Co2 N9' C34' -171.5(7) . . . . ?
N6' Co2 N9' C34' 6.1(6) . . . . ?
N2' Co2 N9' C34' -89.8(6) . . . . ?
N4' Co2 N9' C34' 108.2(6) . . . . ?
N7' Co2 N9' C34' 17.0(13) . . . . ?
N1' Co2 N9' C29' 20.2(7) . . . . ?
N6' Co2 N9' C29' -162.2(8) . . . . ?
N2' Co2 N9' C29' 102.0(7) . . . . ?
N4' Co2 N9' C29' -60.1(7) . . . . ?
N7' Co2 N9' C29' -151.3(9) . . . . ?
N1 Co1 N6 C18 159(4) . . . . ?
N7 Co1 N6 C18 -179.2(8) . . . . ?
N4 Co1 N6 C18 90.4(8) . . . . ?
N2 Co1 N6 C18 -90.9(8) . . . . ?
N9 Co1 N6 C18 0.0(7) . . . . ?
N1 Co1 N6 C22 -21(4) . . . . ?
N7 Co1 N6 C22 0.9(8) . . . . ?
N4 Co1 N6 C22 -89.5(8) . . . . ?
N2 Co1 N6 C22 89.2(8) . . . . ?
N9 Co1 N6 C22 -179.9(8) . . . . ?
N6 Co1 N7 C23 -0.2(8) . . . . ?
N1 Co1 N7 C23 178.0(8) . . . . ?
N4 Co1 N7 C23 97.2(9) . . . . ?
N2 Co1 N7 C23 -100.0(9) . . . . ?
N9 Co1 N7 C23 -2.6(16) . . . . ?
N6 Co1 N7 C24 179.6(9) . . . . ?
N1 Co1 N7 C24 -2.2(8) . . . . ?
N4 Co1 N7 C24 -83.0(8) . . . . ?
N2 Co1 N7 C24 79.8(8) . . . . ?
N9 Co1 N7 C24 177.2(10) . . . . ?
N6 Co1 N9 C34 -0.3(6) . . . . ?
N1 Co1 N9 C34 -178.5(6) . . . . ?
N7 Co1 N9 C34 2.1(14) . . . . ?
N4 Co1 N9 C34 -97.7(7) . . . . ?
N2 Co1 N9 C34 99.1(7) . . . . ?
N6 Co1 N9 C29 177.6(8) . . . . ?
N1 Co1 N9 C29 -0.6(8) . . . . ?
N7 Co1 N9 C29 -180.0(9) . . . . ?
N4 Co1 N9 C29 80.2(7) . . . . ?
N2 Co1 N9 C29 -83.0(8) . . . . ?
C5 N1 C1 C2 0.4(14) . . . . ?
Co1 N1 C1 C2 -177.4(7) . . . . ?
C5 N1 C1 C17 -178.3(8) . . . . ?
Co1 N1 C1 C17 3.9(10) . . . . ?
N1 C1 C2 C3 1.3(15) . . . . ?
C17 C1 C2 C3 179.7(10) . . . . ?
C1 C2 C3 C4 -1.9(18) . . . . ?
C2 C3 C4 C5 0.8(19) . . . . ?
C1 N1 C5 C4 -1.5(14) . . . . ?
Co1 N1 C5 C4 176.4(7) . . . . ?
C1 N1 C5 C6 -179.7(8) . . . . ?
Co1 N1 C5 C6 -1.8(10) . . . . ?
C3 C4 C5 N1 0.8(16) . . . . ?
C3 C4 C5 C6 178.8(11) . . . . ?
C7 N2 C6 O1 4.4(16) . . . . ?
Co1 N2 C6 O1 172.2(9) . . . . ?
C7 N2 C6 C5 -173.8(8) . . . . ?
Co1 N2 C6 C5 -6.1(10) . . . . ?
N1 C5 C6 O1 -173.2(9) . . . . ?
C4 C5 C6 O1 8.8(16) . . . . ?
N1 C5 C6 N2 5.2(11) . . . . ?
C4 C5 C6 N2 -172.8(10) . . . . ?
C11 N3 C7 C8 -0.2(15) . . . . ?
C11 N3 C7 N2 -177.1(9) . . . . ?
C6 N2 C7 N3 -141.9(9) . . . . ?
Co1 N2 C7 N3 51.5(11) . . . . ?
C6 N2 C7 C8 41.3(13) . . . . ?
Co1 N2 C7 C8 -125.4(9) . . . . ?
N3 C7 C8 C9 1.3(16) . . . . ?
N2 C7 C8 C9 178.0(10) . . . . ?
C7 C8 C9 C10 -1.1(18) . . . . ?
C8 C9 C10 C11 -0.2(19) . . . . ?
C7 N3 C11 C10 -1.1(18) . . . . ?
C9 C10 C11 N3 1(2) . . . . ?
C16 N5 C12 C13 0.2(17) . . . . ?
C16 N5 C12 N4 -177.7(9) . . . . ?
C17 N4 C12 C13 105.9(12) . . . . ?
Co1 N4 C12 C13 -83.2(12) . . . . ?
C17 N4 C12 N5 -76.2(11) . . . . ?
Co1 N4 C12 N5 94.8(10) . . . . ?
N5 C12 C13 C14 0.7(19) . . . . ?
N4 C12 C13 C14 178.4(11) . . . . ?
C12 C13 C14 C15 -1(2) . . . . ?
C13 C14 C15 C16 1(2) . . . . ?
C14 C15 C16 N5 0(2) . . . . ?
C12 N5 C16 C15 -0.3(19) . . . . ?
C12 N4 C17 O2 -8.7(15) . . . . ?
Co1 N4 C17 O2 179.5(8) . . . . ?
C12 N4 C17 C1 171.7(8) . . . . ?
Co1 N4 C17 C1 -0.1(10) . . . . ?
N1 C1 C17 O2 178.1(8) . . . . ?
C2 C1 C17 O2 -0.5(16) . . . . ?
N1 C1 C17 N4 -2.3(11) . . . . ?
C2 C1 C17 N4 179.1(9) . . . . ?
C5' N1' C1' C2' 2.8(13) . . . . ?
Co2 N1' C1' C2' -169.4(7) . . . . ?
C5' N1' C1' C17' -176.8(8) . . . . ?
Co2 N1' C1' C17' 10.9(10) . . . . ?
N1' C1' C2' C3' -1.8(14) . . . . ?
C17' C1' C2' C3' 177.8(9) . . . . ?
C1' C2' C3' C4' -0.9(16) . . . . ?
C2' C3' C4' C5' 2.5(16) . . . . ?
C1' N1' C5' C4' -1.1(13) . . . . ?
Co2 N1' C5' C4' 171.1(7) . . . . ?
C1' N1' C5' C6' -177.3(8) . . . . ?
Co2 N1' C5' C6' -5.2(10) . . . . ?
C3' C4' C5' N1' -1.6(14) . . . . ?
C3' C4' C5' C6' 174.2(9) . . . . ?
C7' N4' C6' O2' 1.5(14) . . . . ?
Co2 N4' C6' O2' 172.8(8) . . . . ?
C7' N4' C6' C5' -179.8(7) . . . . ?
Co2 N4' C6' C5' -8.4(9) . . . . ?
N1' C5' C6' O2' -172.6(8) . . . . ?
C4' C5' C6' O2' 11.4(15) . . . . ?
N1' C5' C6' N4' 8.6(11) . . . . ?
C4' C5' C6' N4' -167.4(9) . . . . ?
C11' N5' C7' C8' 2.1(16) . . . . ?
C11' N5' C7' N4' -174.6(10) . . . . ?
C6' N4' C7' N5' -127.5(10) . . . . ?
Co2 N4' C7' N5' 61.6(11) . . . . ?
C6' N4' C7' C8' 55.8(13) . . . . ?
Co2 N4' C7' C8' -115.1(10) . . . . ?
N5' C7' C8' C9' -2.3(19) . . . . ?
N4' C7' C8' C9' 174.2(12) . . . . ?
C7' C8' C9' C10' 2(2) . . . . ?
C8' C9' C10' C11' -2(2) . . . . ?
C7' N5' C11' C10' -2.1(18) . . . . ?
C9' C10' C11' N5' 2(2) . . . . ?
C16' N3' C12' C13' -2.1(16) . . . . ?
C16' N3' C12' N2' 175.6(9) . . . . ?
C17' N2' C12' N3' 115.8(10) . . . . ?
Co2 N2' C12' N3' -79.8(10) . . . . ?
C17' N2' C12' C13' -66.4(13) . . . . ?
Co2 N2' C12' C13' 98.0(10) . . . . ?
N3' C12' C13' C14' 2(2) . . . . ?
N2' C12' C13' C14' -175.9(13) . . . . ?
C12' C13' C14' C15' 2(3) . . . . ?
C13' C14' C15' C16' -5(3) . . . . ?
C14' C15' C16' N3' 5(2) . . . . ?
C12' N3' C16' C15' -1.4(18) . . . . ?
C12' N2' C17' O1' -14.9(15) . . . . ?
Co2 N2' C17' O1' 179.6(8) . . . . ?
C12' N2' C17' C1' 162.8(8) . . . . ?
Co2 N2' C17' C1' -2.6(9) . . . . ?
N1' C1' C17' O1' 172.9(9) . . . . ?
C2' C1' C17' O1' -6.7(15) . . . . ?
N1' C1' C17' N2' -5.0(11) . . . . ?
C2' C1' C17' N2' 175.4(9) . . . . ?
C22' N6' C18' C19' -2.0(13) . . . . ?
Co2 N6' C18' C19' -177.3(7) . . . . ?
C22' N6' C18' C34' 178.5(8) . . . . ?
Co2 N6' C18' C34' 3.2(10) . . . . ?
N6' C18' C19' C20' 0.2(14) . . . . ?
C34' C18' C19' C20' 179.7(9) . . . . ?
C18' C19' C20' C21' 0.7(15) . . . . ?
C19' C20' C21' C22' 0.0(15) . . . . ?
C18' N6' C22' C21' 2.8(13) . . . . ?
Co2 N6' C22' C21' 178.0(7) . . . . ?
C18' N6' C22' C24' -179.8(8) . . . . ?
Co2 N6' C22' C24' -4.5(10) . . . . ?
C20' C21' C22' N6' -1.7(14) . . . . ?
C20' C21' C22' C24' -178.8(9) . . . . ?
C24' N7' C24' O4' 1.0(15) . . . . ?
C24' N7' C24' C22' -179.0(7) . . . . ?
N6' C22' C24' O4' -176.1(9) . . . . ?
C21' C22' C24' O4' 1.2(15) . . . . ?
N6' C22' C24' N7' 3.8(11) . . . . ?
C21' C22' C24' N7' -178.9(9) . . . . ?
C28' N8' C24' C25' -0.3(17) . . . . ?
C28' N8' C24' N7' 179.7(10) . . . . ?
C24' N7' C24' N8' -139.1(9) . . . . ?
Co2 N7' C24' N8' 43.8(11) . . . . ?
C24' N7' C24' C25' 40.8(13) . . . . ?
Co2 N7' C24' C25' -136.2(9) . . . . ?
N8' C24' C25' C26' 2.7(18) . . . . ?
N7' C24' C25' C26' -177.3(10) . . . . ?
C24' C25' C26' C27' -3.5(19) . . . . ?
C25' C26' C27' C28' 2(2) . . . . ?
C24' N8' C28' C27' -1(2) . . . . ?
C26' C27' C28' N8' 0(2) . . . . ?
C33' N10' C29' C30' 0.1(15) . . . . ?
C33' N10' C29' N9' 175.0(9) . . . . ?
C34' N9' C29' N10' 114.6(9) . . . . ?
Co2 N9' C29' N10' -77.2(10) . . . . ?
C34' N9' C29' C30' -70.3(12) . . . . ?
Co2 N9' C29' C30' 98.0(9) . . . . ?
N10' C29' C30' C31' -0.6(17) . . . . ?
N9' C29' C30' C31' -175.4(10) . . . . ?
C29' C30' C31' C32' -0.4(18) . . . . ?
C30' C31' C32' C33' 1.9(19) . . . . ?
C29' N10' C33' C32' 1.6(19) . . . . ?
C31' C32' C33' N10' -3(2) . . . . ?
C29' N9' C34' O3' -10.1(14) . . . . ?
Co2 N9' C34' O3' -179.5(8) . . . . ?
C29' N9' C34' C18' 163.6(8) . . . . ?
Co2 N9' C34' C18' -5.8(9) . . . . ?
N6' C18' C34' O3' 176.0(9) . . . . ?
C19' C18' C34' O3' -3.4(15) . . . . ?
N6' C18' C34' N9' 1.8(11) . . . . ?
C19' C18' C34' N9' -177.7(9) . . . . ?
C22 N6 C18 C19 0.0(16) . . . . ?
Co1 N6 C18 C19 -179.8(8) . . . . ?
C22 N6 C18 C34 -179.9(9) . . . . ?
Co1 N6 C18 C34 0.2(12) . . . . ?
N6 C18 C19 C20 -0.2(17) . . . . ?
C34 C18 C19 C20 179.7(11) . . . . ?
C18 C19 C20 C21 1(2) . . . . ?
C19 C20 C21 C22 -1(2) . . . . ?
C18 N6 C22 C21 -0.3(17) . . . . ?
Co1 N6 C22 C21 179.5(9) . . . . ?
C18 N6 C22 C23 178.8(10) . . . . ?
Co1 N6 C22 C23 -1.3(13) . . . . ?
C20 C21 C22 N6 0.8(19) . . . . ?
C20 C21 C22 C23 -178.2(13) . . . . ?
C24 N7 C23 O3 -3(2) . . . . ?
Co1 N7 C23 O3 176.8(12) . . . . ?
C24 N7 C23 C22 179.7(10) . . . . ?
Co1 N7 C23 C22 -0.4(13) . . . . ?
N6 C22 C23 O3 -176.4(12) . . . . ?
C21 C22 C23 O3 3(2) . . . . ?
N6 C22 C23 N7 1.1(15) . . . . ?
C21 C22 C23 N7 -179.9(11) . . . . ?
C28 N8 C24 C25 0.6(17) . . . . ?
C28 N8 C24 N7 -178.1(10) . . . . ?
C23 N7 C24 C25 82.9(13) . . . . ?
Co1 N7 C24 C25 -96.9(11) . . . . ?
C23 N7 C24 N8 -98.3(12) . . . . ?
Co1 N7 C24 N8 81.9(11) . . . . ?
N8 C24 C25 C26 -0.4(17) . . . . ?
N7 C24 C25 C26 178.3(10) . . . . ?
C24 C25 C26 C27 -1(2) . . . . ?
C25 C26 C27 C28 3(2) . . . . ?
C26 C27 C28 N8 -2(2) . . . . ?
C24 N8 C28 C27 1(2) . . . . ?
C33 N10 C29 C30 -1.3(15) . . . . ?
C33 N10 C29 N9 -178.5(9) . . . . ?
C34 N9 C29 N10 164.1(8) . . . . ?
Co1 N9 C29 N10 -13.7(11) . . . . ?
C34 N9 C29 C30 -13.0(15) . . . . ?
Co1 N9 C29 C30 169.3(9) . . . . ?
N10 C29 C30 C31 0.9(18) . . . . ?
N9 C29 C30 C31 177.8(11) . . . . ?
C29 C30 C31 C32 -2(2) . . . . ?
C30 C31 C32 C33 4(2) . . . . ?
C31 C32 C33 N10 -4(2) . . . . ?
C29 N10 C33 C32 3.2(19) . . . . ?
C29 N9 C34 O4 1.1(16) . . . . ?
Co1 N9 C34 O4 179.1(10) . . . . ?
C29 N9 C34 C18 -177.6(8) . . . . ?
Co1 N9 C34 C18 0.5(10) . . . . ?
N6 C18 C34 O4 -179.2(10) . . . . ?
C19 C18 C34 O4 0.9(17) . . . . ?
N6 C18 C34 N9 -0.5(12) . . . . ?
C19 C18 C34 N9 179.6(10) . . . . ?
C5X N1X C1X C2X -174.6(12) . . . . ?
C3X N1X C1X C2X -55.1(15) . . . . ?
C7X N1X C1X C2X 64.9(15) . . . . ?
C1X N1X C3X C4X -55.7(15) . . . . ?
C5X N1X C3X C4X 64.8(15) . . . . ?
C7X N1X C3X C4X -174.9(11) . . . . ?
C1X N1X C5X C6X -59(2) . . . . ?
C3X N1X C5X C6X 178.4(17) . . . . ?
C7X N1X C5X C6X 59(2) . . . . ?
C1X N1X C7X C8X 179.2(12) . . . . ?
C5X N1X C7X C8X 59.8(16) . . . . ?
C3X N1X C7X C8X -58.4(16) . . . . ?
C5Y N1Y C1Y C2Y 178.3(12) . . . . ?
C7Y N1Y C1Y C2Y 55.6(15) . . . . ?
C3Y N1Y C1Y C2Y -61.0(14) . . . . ?
C5Y N1Y C3Y C4Y 59.9(15) . . . . ?
C7Y N1Y C3Y C4Y -178.3(12) . . . . ?
C1Y N1Y C3Y C4Y -57.6(15) . . . . ?
C7Y N1Y C5Y C6Y -64.2(14) . . . . ?
C3Y N1Y C5Y C6Y 53.3(15) . . . . ?
C1Y N1Y C5Y C6Y 173.2(12) . . . . ?
C5Y N1Y C7Y C8Y -62.6(15) . . . . ?
C3Y N1Y C7Y C8Y 176.2(12) . . . . ?
C1Y N1Y C7Y C8Y 56.7(16) . . . . ?
