#------------------------------------------------------------------------------
#$Date: 2016-03-26 17:21:16 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180389 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/58/7205851.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_7205851
loop_
_publ_author_name
'Liu, Hai-Yang'
'Yuan, Yong-Jun'
'Yu, Zhen-Tao'
'Zou, Zhi-Gang'
_publ_section_title
;
 Direct assembly of new cobalt(iii)-lanthanide(iii) heterometallic
 frameworks with NaCl-like topology
;
_journal_issue                   7
_journal_name_full               CrystEngComm
_journal_page_first              2391
_journal_paper_doi               10.1039/c0ce00881h
_journal_volume                  13
_journal_year                    2011
_chemical_formula_sum            'C72 H74 Co2 N18 O61 Sm4'
_chemical_formula_weight         2886.75
_chemical_name_systematic
;
?
;
_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                102.1140(10)
_cell_angle_beta                 103.410(2)
_cell_angle_gamma                95.5970(10)
_cell_formula_units_Z            1
_cell_length_a                   11.2397(8)
_cell_length_b                   12.4964(9)
_cell_length_c                   22.3020(16)
_cell_measurement_reflns_used    1642
_cell_measurement_temperature    291(2)
_cell_measurement_theta_max      20.59
_cell_measurement_theta_min      2.49
_cell_volume                     2943.8(4)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  SHELXTL
_computing_structure_solution    'SHELXTL (Bruker, 2000)'
_diffrn_ambient_temperature      291(2)
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'Bruker Smart Apex CCD'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0210
_diffrn_reflns_av_sigmaI/netI    0.0499
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            16397
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.88
_exptl_absorpt_coefficient_mu    2.338
_exptl_absorpt_correction_T_max  0.6521
_exptl_absorpt_correction_T_min  0.5816
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS; Bruker, 2000'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.628
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1422
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.083
_refine_diff_density_min         -0.830
_refine_diff_density_rms         0.089
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.004
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           fullcycle
_refine_ls_number_parameters     739
_refine_ls_number_reflns         11364
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.004
_refine_ls_R_factor_all          0.0572
_refine_ls_R_factor_gt           0.0373
_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)+(0.05P)²+0.55P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0850
_refine_ls_wR_factor_ref         0.0897
_reflns_number_gt                8146
_reflns_number_total             11364
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c0ce00881h.txt
_cod_data_source_block           4
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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 1555 2011-01-17 13:19:09Z saulius 
;
_cod_original_sg_symbol_H-M      'P-1 '
_cod_database_code               7205851
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
C1 C 0.6990(4) 0.8268(4) 0.3710(2) 0.0425(10) Uani 1 1 d . . .
H1A H 0.7756 0.8717 0.3885 0.051 Uiso 1 1 calc R . .
C2 C 0.6520(5) 0.7595(4) 0.4082(2) 0.0519(12) Uani 1 1 d . . .
H2A H 0.6944 0.7659 0.4502 0.062 Uiso 1 1 calc R . .
C3 C 0.5465(4) 0.6875(3) 0.38188(19) 0.0358(9) Uani 1 1 d . . .
C4 C 0.4793(4) 0.6893(3) 0.31740(18) 0.0371(9) Uani 1 1 d . . .
H4A H 0.4055 0.6412 0.2977 0.045 Uiso 1 1 calc R . .
C5 C 0.5226(4) 0.7593(3) 0.28625(19) 0.0369(9) Uani 1 1 d . . .
C6 C 0.4661(4) 0.7685(3) 0.22139(19) 0.0402(10) Uani 1 1 d . . .
C7 C 0.3603(4) 0.6932(4) 0.1793(2) 0.0410(10) Uani 1 1 d . . .
H7A H 0.3268 0.6334 0.1920 0.049 Uiso 1 1 calc R . .
C8 C 0.3070(4) 0.7100(4) 0.1185(2) 0.0371(9) Uani 1 1 d . . .
C9 C 0.3567(4) 0.8005(4) 0.1049(2) 0.0421(10) Uani 1 1 d . . .
H9A H 0.3184 0.8186 0.0675 0.050 Uiso 1 1 calc R . .
C10 C 0.4624(4) 0.8685(4) 0.1440(2) 0.0378(9) Uani 1 1 d . . .
H10E H 0.4982 0.9260 0.1303 0.045 Uiso 1 1 calc R . .
C11 C 0.4950(4) 0.6077(3) 0.41475(19) 0.0341(8) Uani 1 1 d . . .
C12 C 0.1946(4) 0.6314(4) 0.0751(2) 0.0503(12) Uani 1 1 d . . .
C13 C 0.7168(4) 1.1080(3) 0.1971(2) 0.0374(9) Uani 1 1 d . . .
H13E H 0.6812 1.1509 0.2254 0.045 Uiso 1 1 calc R . .
C14 C 0.7622(4) 1.1524(4) 0.15716(19) 0.0381(9) Uani 1 1 d . . .
H14E H 0.7614 1.2274 0.1592 0.046 Uiso 1 1 calc R . .
C15 C 0.8125(4) 1.0898(3) 0.1111(2) 0.0400(9) Uani 1 1 d . . .
C16 C 0.8173(4) 0.9805(4) 0.1096(2) 0.0411(10) Uani 1 1 d . . .
H16E H 0.8489 0.9370 0.0795 0.049 Uiso 1 1 calc R . .
C17 C 0.7733(4) 0.9349(3) 0.1544(2) 0.0381(9) Uani 1 1 d . . .
C18 C 0.7706(4) 0.8179(3) 0.1562(2) 0.0395(9) Uani 1 1 d . . .
C19 C 0.8164(4) 0.7396(4) 0.1150(2) 0.0419(10) Uani 1 1 d . . .
H19E H 0.8426 0.7583 0.0814 0.050 Uiso 1 1 calc R . .
C20 C 0.8216(4) 0.6353(4) 0.1255(2) 0.0411(10) Uani 1 1 d . . .
C21 C 0.7938(4) 0.6103(3) 0.1772(2) 0.0401(10) Uani 1 1 d . . .
H21D H 0.8022 0.5420 0.1868 0.048 Uiso 1 1 calc R . .
C22 C 0.7519(4) 0.6934(3) 0.21525(19) 0.0369(9) Uani 1 1 d . . .
H22C H 0.7322 0.6747 0.2504 0.044 Uiso 1 1 calc R . .
C23 C 0.8668(4) 1.1429(4) 0.0682(2) 0.0468(11) Uani 1 1 d . . .
C24 C 0.8783(4) 0.5605(3) 0.08440(18) 0.0346(9) Uani 1 1 d . . .
C25 C 0.9522(4) 0.9367(3) 0.3083(2) 0.0354(9) Uani 1 1 d . . .
H25E H 0.9489 0.8690 0.2804 0.042 Uiso 1 1 calc R . .
C26 C 1.0656(4) 0.9928(4) 0.3469(2) 0.0433(10) Uani 1 1 d . . .
H26A H 1.1367 0.9599 0.3487 0.052 Uiso 1 1 calc R . .
C27 C 1.0709(4) 1.0969(4) 0.3819(2) 0.0420(10) Uani 1 1 d . . .
C28 C 0.9562(4) 1.1455(4) 0.38622(19) 0.0367(9) Uani 1 1 d . . .
H28A H 0.9582 1.2142 0.4128 0.044 Uiso 1 1 calc R . .
C29 C 0.8470(4) 1.0820(3) 0.3483(2) 0.0364(9) Uani 1 1 d . . .
C30 C 0.7242(4) 1.1145(4) 0.35023(19) 0.0398(10) Uani 1 1 d . . .
C31 C 0.7017(4) 1.2021(4) 0.3891(2) 0.0416(10) Uani 1 1 d . . .
H31A H 0.7676 1.2498 0.4189 0.050 Uiso 1 1 calc R . .
C32 C 0.5775(4) 1.2248(3) 0.38592(18) 0.0345(8) Uani 1 1 d . . .
C33 C 0.4826(4) 1.1533(4) 0.3390(2) 0.0422(10) Uani 1 1 d . . .
H33A H 0.4018 1.1677 0.3345 0.051 Uiso 1 1 calc R . .
C34 C 0.5045(4) 1.0625(4) 0.2993(2) 0.0437(10) Uani 1 1 d . . .
H34A H 0.4394 1.0154 0.2686 0.052 Uiso 1 1 calc R . .
C35 C 1.1926(4) 1.1710(4) 0.4176(2) 0.0441(10) Uani 1 1 d . . .
C36 C 0.5423(4) 1.3208(4) 0.4280(2) 0.0451(11) Uani 1 1 d . . .
Co1 Co 0.67802(5) 0.91368(4) 0.25714(3) 0.03454(12) Uani 1 1 d . . .
N1 N 0.6329(4) 0.8266(3) 0.30963(16) 0.0405(8) Uani 1 1 d . . .
N2 N 0.5157(3) 0.8528(3) 0.20256(17) 0.0379(8) Uani 1 1 d . . .
N3 N 0.7218(3) 0.9925(3) 0.19720(16) 0.0346(7) Uani 1 1 d . . .
N4 N 0.7357(3) 0.7930(3) 0.20992(17) 0.0402(8) Uani 1 1 d . . .
N5 N 0.8446(3) 0.9791(3) 0.31040(16) 0.0384(8) Uani 1 1 d . . .
N6 N 0.6237(3) 1.0416(3) 0.30531(15) 0.0313(7) Uani 1 1 d . . .
N7 N 0.1385(4) 0.9639(3) 0.20082(19) 0.0489(10) Uani 1 1 d . . .
N8 N 0.8762(4) 0.3953(4) 0.2908(2) 0.0551(11) Uani 1 1 d . . .
N9 N 0.7879(4) 0.1507(4) 0.53857(19) 0.0482(9) Uani 1 1 d . . .
O1 O 0.5703(3) 0.5899(3) 0.46191(13) 0.0396(7) Uani 1 1 d . . .
O2 O 0.3804(3) 0.5679(2) 0.39940(14) 0.0419(7) Uani 1 1 d . . .
O3 O 0.1607(3) 0.5489(2) 0.09138(14) 0.0393(6) Uani 1 1 d . . .
O4 O 0.1444(3) 0.6594(3) 0.02854(14) 0.0435(7) Uani 1 1 d . . .
O5 O 0.9084(3) 1.2449(2) 0.08176(14) 0.0404(7) Uani 1 1 d . . .
O6 O 0.8714(3) 1.0764(3) 0.01641(15) 0.0516(9) Uani 1 1 d . . .
O7 O 0.9047(3) 0.5843(2) 0.03698(13) 0.0399(7) Uani 1 1 d . . .
O8 O 0.9089(3) 0.4729(2) 0.10363(14) 0.0399(7) Uani 1 1 d . . .
O9 O 1.2866(3) 1.1260(3) 0.42873(14) 0.0425(7) Uani 1 1 d . . .
O10 O 1.1951(3) 1.2735(2) 0.43871(14) 0.0378(6) Uani 1 1 d . . .
O11 O 0.6364(3) 1.3767(2) 0.47075(14) 0.0396(7) Uani 1 1 d . . .
O12 O 0.4443(3) 1.3533(2) 0.41319(13) 0.0404(7) Uani 1 1 d . . .
O71 O 0.0978(3) 1.0517(3) 0.20283(16) 0.0530(9) Uani 1 1 d . . .
O72 O 0.0906(3) 0.8828(3) 0.15580(17) 0.0596(9) Uani 1 1 d . . .
O73 O 0.2248(3) 0.9541(3) 0.24208(15) 0.0464(7) Uani 1 1 d . . .
O81 O 0.9619(3) 0.3765(3) 0.26503(15) 0.0533(9) Uani 1 1 d . . .
O82 O 0.7880(3) 0.4287(3) 0.26147(14) 0.0466(8) Uani 1 1 d . . .
O83 O 0.8744(3) 0.3712(3) 0.34147(16) 0.0518(8) Uani 1 1 d . . .
O91 O 0.6828(3) 0.1033(3) 0.52279(16) 0.0537(9) Uani 1 1 d . . .
O92 O 0.8108(3) 0.2519(3) 0.56228(15) 0.0435(7) Uani 1 1 d . . .
O93 O 0.8761(3) 0.1015(3) 0.53161(14) 0.0471(7) Uani 1 1 d . . .
O1W O 0.7982(3) 0.6335(3) 0.66243(14) 0.0449(7) Uani 1 1 d . . .
H1X H 0.7423 0.6745 0.6816 0.054 Uiso 1 1 d R . .
H1Y H 0.8733 0.6824 0.6669 0.054 Uiso 1 1 d R . .
O2W O 0.8682(3) 0.4601(3) 0.58543(14) 0.0431(7) Uani 1 1 d . . .
H2X H 0.8390 0.3997 0.6018 0.052 Uiso 1 1 d R . .
H2Y H 0.9311 0.5115 0.6186 0.052 Uiso 1 1 d R . .
O3W O 0.8267(3) 0.5459(3) 0.47363(15) 0.0469(8) Uani 1 1 d . . .
H3X H 0.8820 0.6149 0.4838 0.056 Uiso 1 1 d R . .
H3Y H 0.7739 0.5337 0.4312 0.056 Uiso 1 1 d R . .
O4W O 0.1195(3) 0.3719(3) 0.16284(14) 0.0457(7) Uani 1 1 d . . .
H4X H 0.0510 0.3564 0.1807 0.055 Uiso 1 1 d R . .
H4Y H 0.1657 0.4440 0.1853 0.055 Uiso 1 1 d R . .
O5W O 0.2458(3) 0.3224(3) 0.06944(16) 0.0466(7) Uani 1 1 d . . .
H5X H 0.2562 0.2759 0.0312 0.056 Uiso 1 1 d R . .
H5Y H 0.3053 0.3893 0.0820 0.056 Uiso 1 1 d R . .
O6W O 0.0206(3) 0.1898(3) -0.02577(16) 0.0468(7) Uani 1 1 d . . .
H6X H -0.0186 0.1993 -0.0657 0.056 Uiso 1 1 d R . .
H6Y H -0.0176 0.1380 -0.0231 0.056 Uiso 1 1 d R . .
O7W O 0.1275(7) 0.5168(6) 0.2755(3) 0.0577(18) Uani 0.50 1 d P . .
H7X H 0.1274 0.5864 0.2871 0.069 Uiso 0.50 1 d PR . .
H7Y H 0.1925 0.5026 0.2994 0.069 Uiso 0.50 1 d PR . .
O8W O 0.6437(6) 0.6488(5) 0.7550(3) 0.0468(15) Uani 0.50 1 d P . .
H8X H 0.5969 0.6160 0.7730 0.056 Uiso 0.50 1 d PR . .
H8Y H 0.6632 0.7172 0.7743 0.056 Uiso 0.50 1 d PR . .
O9W O 0.0956(6) 0.7152(6) 0.2189(3) 0.0548(17) Uani 0.50 1 d P . .
H9X H 0.0173 0.7131 0.2052 0.066 Uiso 0.50 1 d PR . .
H9Y H 0.1299 0.7824 0.2352 0.066 Uiso 0.50 1 d PR . .
O10W O 0.9142(7) 0.6235(6) 0.3827(3) 0.0566(18) Uani 0.50 1 d P . .
H10X H 0.8516 0.5940 0.3514 0.068 Uiso 0.50 1 d PR . .
H10Y H 0.9167 0.6937 0.3917 0.068 Uiso 0.50 1 d PR . .
O11W O 0.5058(7) 0.5155(5) 0.9165(3) 0.0503(16) Uani 0.50 1 d P . .
H11X H 0.4603 0.4750 0.8813 0.060 Uiso 0.50 1 d PR . .
H11Y H 0.5449 0.4747 0.9382 0.060 Uiso 0.50 1 d PR . .
O12W O 0.3557(6) 0.6902(6) 0.9542(3) 0.0522(16) Uani 0.50 1 d P . .
H12X H 0.3964 0.7340 0.9894 0.063 Uiso 0.50 1 d PR . .
H12Y H 0.2872 0.6606 0.9584 0.063 Uiso 0.50 1 d PR . .
O13W O 0.3967(7) 0.1572(6) 0.0745(4) 0.0617(19) Uani 0.50 1 d P . .
H13X H 0.4085 0.1625 0.0387 0.074 Uiso 0.50 1 d PR . .
H13Y H 0.4347 0.1065 0.0871 0.074 Uiso 0.50 1 d PR . .
Sm1 Sm 0.69867(2) 0.553414(17) 0.548779(10) 0.03444(6) Uani 1 1 d . . .
Sm2 Sm 0.04029(2) 0.368468(18) 0.050589(10) 0.03731(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'
Sm Sm -0.1638 3.4418 '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
N1 C1 C2 121.9(4) . . ?
N1 C1 H1A 119.0 . . ?
C2 C1 H1A 119.0 . . ?
C3 C2 C1 119.8(4) . . ?
C3 C2 H2A 120.1 . . ?
C1 C2 H2A 120.1 . . ?
C2 C3 C4 116.8(4) . . ?
C2 C3 C11 123.9(4) . . ?
C4 C3 C11 119.4(4) . . ?
C5 C4 C3 121.2(4) . . ?
C5 C4 H4A 119.4 . . ?
C3 C4 H4A 119.4 . . ?
C4 C5 N1 123.2(4) . . ?
C4 C5 C6 126.9(4) . . ?
N1 C5 C6 109.7(3) . . ?
N2 C6 C7 119.8(4) . . ?
N2 C6 C5 117.0(3) . . ?
C7 C6 C5 123.1(4) . . ?
C8 C7 C6 120.2(4) . . ?
C8 C7 H7A 119.9 . . ?
C6 C7 H7A 119.9 . . ?
C9 C8 C7 116.3(4) . . ?
C9 C8 C12 123.9(4) . . ?
C7 C8 C12 119.7(4) . . ?
C8 C9 C10 122.9(4) . . ?
C8 C9 H9A 118.6 . . ?
C10 C9 H9A 118.6 . . ?
N2 C10 C9 121.2(3) . . ?
N2 C10 H10E 119.4 . . ?
C9 C10 H10E 119.4 . . ?
O1 C11 O2 121.9(3) . . ?
O1 C11 C3 115.8(3) . . ?
O2 C11 C3 122.1(3) . . ?
O4 C12 O3 126.2(4) . . ?
O4 C12 C8 115.7(4) . . ?
O3 C12 C8 118.0(4) . . ?
C14 C13 N3 120.5(4) . . ?
C14 C13 H13E 119.8 . . ?
N3 C13 H13E 119.8 . . ?
C13 C14 C15 122.1(4) . . ?
C13 C14 H14E 118.9 . . ?
C15 C14 H14E 118.9 . . ?
C16 C15 C14 118.8(4) . . ?
C16 C15 C23 120.2(4) . . ?
C14 C15 C23 120.9(4) . . ?
C15 C16 C17 118.6(4) . . ?
C15 C16 H16E 120.7 . . ?
C17 C16 H16E 120.7 . . ?
N3 C17 C16 123.3(4) . . ?
N3 C17 C18 113.3(3) . . ?
C16 C17 C18 123.3(4) . . ?
C19 C18 N4 121.6(3) . . ?
C19 C18 C17 124.1(4) . . ?
N4 C18 C17 113.5(3) . . ?
C20 C19 C18 119.0(4) . . ?
C20 C19 H19E 120.5 . . ?
C18 C19 H19E 120.5 . . ?
C21 C20 C19 120.9(4) . . ?
C21 C20 C24 121.8(4) . . ?
C19 C20 C24 116.5(4) . . ?
C20 C21 C22 115.5(4) . . ?
C20 C21 H21D 122.2 . . ?
C22 C21 H21D 122.2 . . ?
N4 C22 C21 130.8(4) . . ?
N4 C22 H22C 114.6 . . ?
C21 C22 H22C 114.6 . . ?
O5 C23 O6 122.3(4) . . ?
O5 C23 C15 122.8(4) . . ?
O6 C23 C15 114.9(4) . . ?
O7 C24 O8 122.3(3) . . ?
O7 C24 C20 121.6(4) . . ?
O8 C24 C20 115.8(3) . . ?
N5 C25 C26 121.3(4) . . ?
N5 C25 H25E 119.4 . . ?
C26 C25 H25E 119.4 . . ?
C27 C26 C25 118.6(4) . . ?
C27 C26 H26A 120.7 . . ?
C25 C26 H26A 120.7 . . ?
C26 C27 C28 121.4(4) . . ?
C26 C27 C35 122.3(4) . . ?
C28 C27 C35 116.3(4) . . ?
C29 C28 C27 115.7(4) . . ?
C29 C28 H28A 122.2 . . ?
C27 C28 H28A 122.2 . . ?
N5 C29 C28 121.7(3) . . ?
N5 C29 C30 115.6(3) . . ?
C28 C29 C30 122.5(4) . . ?
C31 C30 N6 119.2(3) . . ?
C31 C30 C29 126.9(4) . . ?
N6 C30 C29 113.9(3) . . ?
C30 C31 C32 121.4(4) . . ?
C30 C31 H31A 119.3 . . ?
C32 C31 H31A 119.3 . . ?
C33 C32 C31 117.0(4) . . ?
C33 C32 C36 117.5(4) . . ?
C31 C32 C36 125.5(4) . . ?
C34 C33 C32 122.0(4) . . ?
C34 C33 H33A 119.0 . . ?
C32 C33 H33A 119.0 . . ?
C33 C34 N6 119.1(4) . . ?
C33 C34 H34A 120.4 . . ?
N6 C34 H34A 120.4 . . ?
O9 C35 O10 122.0(3) . . ?
O9 C35 C27 117.6(4) . . ?
O10 C35 C27 120.3(4) . . ?
O12 C36 O11 124.4(3) . . ?
O12 C36 C32 122.2(4) . . ?
O11 C36 C32 111.3(4) . . ?
N1 Co1 N4 91.53(16) . . ?
N1 Co1 N2 84.31(15) . . ?
N4 Co1 N2 86.72(15) . . ?
N1 Co1 N3 175.18(15) . . ?
N4 Co1 N3 84.30(15) . . ?
N2 Co1 N3 93.02(15) . . ?
N1 Co1 N5 97.94(16) . . ?
N4 Co1 N5 93.23(16) . . ?
N2 Co1 N5 177.75(15) . . ?
N3 Co1 N5 84.74(15) . . ?
N1 Co1 N6 90.23(15) . . ?
N4 Co1 N6 177.85(15) . . ?
N2 Co1 N6 94.69(15) . . ?
N3 Co1 N6 93.99(14) . . ?
N5 Co1 N6 85.29(15) . . ?
C5 N1 C1 116.8(3) . . ?
C5 N1 Co1 116.3(2) . . ?
C1 N1 Co1 126.9(2) . . ?
C6 N2 C10 119.2(3) . . ?
C6 N2 Co1 110.5(2) . . ?
C10 N2 Co1 128.6(2) . . ?
C17 N3 C13 116.7(2) . . ?
C17 N3 Co1 115.2(2) . . ?
C13 N3 Co1 127.8(2) . . ?
C22 N4 C18 112.0(2) . . ?
C22 N4 Co1 135.3(3) . . ?
C18 N4 Co1 112.7(2) . . ?
C25 N5 C29 120.9(3) . . ?
C25 N5 Co1 126.5(2) . . ?
C29 N5 Co1 112.4(2) . . ?
C34 N6 C30 121.1(3) . . ?
C34 N6 Co1 126.9(2) . . ?
C30 N6 Co1 112.01(19) . . ?
O73 N7 O71 121.3(4) . . ?
O73 N7 O72 118.8(4) . . ?
O71 N7 O72 119.9(4) . . ?
O82 N8 O83 120.2(5) . . ?
O82 N8 O81 117.8(4) . . ?
O83 N8 O81 121.6(4) . . ?
O91 N9 O93 122.0(4) . . ?
O91 N9 O92 120.3(4) . . ?
O93 N9 O92 117.7(4) . . ?
C11 O1 Sm1 177.2(2) . . ?
C11 O2 Sm1 121.82(18) . 2_666 ?
C12 O3 Sm2 142.1(2) . . ?
C12 O4 Sm2 143.7(2) . 2_565 ?
C23 O5 Sm2 139.41(19) . 1_665 ?
C24 O7 Sm2 178.5(2) . 2_665 ?
C24 O8 Sm2 116.90(17) . 1_655 ?
C35 O10 Sm1 144.5(2) . 2_776 ?
C36 O11 Sm1 140.42(19) . 1_565 ?
C36 O12 Sm1 144.5(2) . 2_676 ?
Sm1 O1W H1X 109.5 . . ?
Sm1 O1W H1Y 109.4 . . ?
H1X O1W H1Y 109.7 . . ?
Sm1 O2W H2X 109.6 . . ?
Sm1 O2W H2Y 109.5 . . ?
H2X O2W H2Y 109.4 . . ?
Sm1 O3W H3X 109.7 . . ?
Sm1 O3W H3Y 109.2 . . ?
H3X O3W H3Y 109.4 . . ?
Sm2 O4W H4X 109.4 . . ?
Sm2 O4W H4Y 109.6 . . ?
H4X O4W H4Y 109.5 . . ?
Sm2 O5W H5X 109.6 . . ?
Sm2 O5W H5Y 109.6 . . ?
H5X O5W H5Y 109.3 . . ?
Sm2 O6W H6X 106.7 . . ?
Sm2 O6W H6Y 120.9 . . ?
H6X O6W H6Y 103.7 . . ?
H7X O7W H7Y 106.7 . . ?
H8X O8W H8Y 109.4 . . ?
H9X O9W H9Y 109.4 . . ?
H10X O10W H10Y 109.2 . . ?
H11X O11W H11Y 109.6 . . ?
H12X O12W H12Y 109.4 . . ?
H13X O13W H13Y 109.5 . . ?
O12 Sm1 O1 74.54(10) 2_676 . ?
O12 Sm1 O10 84.99(11) 2_676 2_776 ?
O1 Sm1 O10 85.02(11) . 2_776 ?
O12 Sm1 O2 78.07(11) 2_676 2_666 ?
O1 Sm1 O2 118.84(11) . 2_666 ?
O10 Sm1 O2 144.87(10) 2_776 2_666 ?
O12 Sm1 O2W 139.63(10) 2_676 . ?
O1 Sm1 O2W 145.55(10) . . ?
O10 Sm1 O2W 99.81(11) 2_776 . ?
O2 Sm1 O2W 75.43(11) 2_666 . ?
O12 Sm1 O11 121.19(10) 2_676 1_545 ?
O1 Sm1 O11 74.73(10) . 1_545 ?
O10 Sm1 O11 139.51(10) 2_776 1_545 ?
O2 Sm1 O11 74.84(10) 2_666 1_545 ?
O2W Sm1 O11 80.09(10) . 1_545 ?
O12 Sm1 O3W 143.60(11) 2_676 . ?
O1 Sm1 O3W 77.00(11) . . ?
O10 Sm1 O3W 70.29(10) 2_776 . ?
O2 Sm1 O3W 136.55(11) 2_666 . ?
O2W Sm1 O3W 72.80(11) . . ?
O11 Sm1 O3W 71.16(10) 1_545 . ?
O12 Sm1 O1W 74.85(10) 2_676 . ?
O1 Sm1 O1W 142.20(11) . . ?
O10 Sm1 O1W 70.70(10) 2_776 . ?
O2 Sm1 O1W 75.22(10) 2_666 . ?
O2W Sm1 O1W 69.30(11) . . ?
O11 Sm1 O1W 141.47(10) 1_545 . ?
O3W Sm1 O1W 118.49(11) . . ?
O4 Sm2 O7 74.26(10) 2_565 2_665 ?
O4 Sm2 O5 77.04(10) 2_565 1_445 ?
O7 Sm2 O5 144.37(10) 2_665 1_445 ?
O4 Sm2 O3 120.16(10) 2_565 . ?
O7 Sm2 O3 74.81(10) 2_665 . ?
O5 Sm2 O3 139.25(10) 1_445 . ?
O4 Sm2 O5W 141.96(12) 2_565 . ?
O7 Sm2 O5W 81.17(11) 2_665 . ?
O5 Sm2 O5W 110.58(10) 1_445 . ?
O3 Sm2 O5W 79.25(10) . . ?
O4 Sm2 O8 76.94(11) 2_565 1_455 ?
O7 Sm2 O8 120.73(10) 2_665 1_455 ?
O5 Sm2 O8 71.54(10) 1_445 1_455 ?
O3 Sm2 O8 76.93(10) . 1_455 ?
O5W Sm2 O8 141.09(11) . 1_455 ?
O4 Sm2 O4W 141.66(11) 2_565 . ?
O7 Sm2 O4W 143.49(11) 2_665 . ?
O5 Sm2 O4W 69.51(11) 1_445 . ?
O3 Sm2 O4W 78.03(11) . . ?
O5W Sm2 O4W 70.09(11) . . ?
O8 Sm2 O4W 75.14(10) 1_455 . ?
O4 Sm2 O6W 70.47(11) 2_565 . ?
O7 Sm2 O6W 75.41(10) 2_665 . ?
O5 Sm2 O6W 75.42(10) 1_445 . ?
O3 Sm2 O6W 143.38(10) . . ?
O5W Sm2 O6W 75.56(11) . . ?
O8 Sm2 O6W 137.72(10) 1_455 . ?
O4W Sm2 O6W 116.58(11) . . ?
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 N1 1.398(4) . ?
C1 C2 1.444(6) . ?
C1 H1A 0.9300 . ?
C2 C3 1.344(6) . ?
C2 H2A 0.9300 . ?
C3 C4 1.467(6) . ?
C3 C11 1.502(6) . ?
C4 C5 1.346(6) . ?
C4 H4A 0.9300 . ?
C5 N1 1.353(4) . ?
C5 C6 1.472(6) . ?
C6 N2 1.332(4) . ?
C6 C7 1.441(6) . ?
C7 C8 1.417(6) . ?
C7 H7A 0.9300 . ?
C8 C9 1.335(6) . ?
C8 C12 1.513(6) . ?
C9 C10 1.381(6) . ?
C9 H9A 0.9300 . ?
C10 N2 1.368(4) . ?
C10 H10E 0.9300 . ?
C11 O1 1.263(4) . ?
C11 O2 1.274(4) . ?
C12 O4 1.200(5) . ?
C12 O3 1.217(5) . ?
C13 C14 1.313(5) . ?
C13 N3 1.450(4) . ?
C13 H13E 0.9300 . ?
C14 C15 1.416(6) . ?
C14 H14E 0.9300 . ?
C15 C16 1.367(6) . ?
C15 C23 1.478(6) . ?
C16 C17 1.409(5) . ?
C16 H16E 0.9300 . ?
C17 N3 1.346(4) . ?
C17 C18 1.468(6) . ?
C18 C19 1.416(6) . ?
C18 N4 1.428(4) . ?
C19 C20 1.375(6) . ?
C19 H19E 0.9300 . ?
C20 C21 1.352(6) . ?
C20 C24 1.466(5) . ?
C21 C22 1.389(6) . ?
C21 H21D 0.9300 . ?
C22 N4 1.302(4) . ?
C22 H22C 0.9300 . ?
C23 O5 1.261(5) . ?
C23 O6 1.289(5) . ?
C24 O7 1.247(4) . ?
C24 O8 1.305(4) . ?
C25 N5 1.373(4) . ?
C25 C26 1.386(6) . ?
C25 H25E 0.9300 . ?
C26 C27 1.357(6) . ?
C26 H26A 0.9300 . ?
C27 C28 1.493(6) . ?
C27 C35 1.516(6) . ?
C28 C29 1.378(6) . ?
C28 H28A 0.9300 . ?
C29 N5 1.377(4) . ?
C29 C30 1.484(5) . ?
C30 C31 1.330(6) . ?
C30 N6 1.414(4) . ?
C31 C32 1.440(6) . ?
C31 H31A 0.9300 . ?
C32 C33 1.391(6) . ?
C32 C36 1.505(5) . ?
C33 C34 1.365(6) . ?
C33 H33A 0.9300 . ?
C34 N6 1.372(5) . ?
C34 H34A 0.9300 . ?
C35 O9 1.243(5) . ?
C35 O10 1.264(4) . ?
C36 O12 1.209(5) . ?
C36 O11 1.275(4) . ?
Co1 N1 1.875(4) . ?
Co1 N4 1.908(4) . ?
Co1 N2 1.924(4) . ?
Co1 N3 1.940(3) . ?
Co1 N5 1.962(4) . ?
Co1 N6 1.964(3) . ?
N7 O73 1.208(5) . ?
N7 O71 1.226(5) . ?
N7 O72 1.241(5) . ?
N8 O82 1.216(5) . ?
N8 O83 1.234(5) . ?
N8 O81 1.248(5) . ?
N9 O91 1.205(5) . ?
N9 O93 1.240(5) . ?
N9 O92 1.241(5) . ?
O1 Sm1 2.290(3) . ?
O2 Sm1 2.318(3) 2_666 ?
O3 Sm2 2.391(3) . ?
O4 Sm2 2.334(3) 2_565 ?
O5 Sm2 2.356(3) 1_665 ?
O7 Sm2 2.349(3) 2_665 ?
O8 Sm2 2.412(3) 1_655 ?
O10 Sm1 2.296(3) 2_776 ?
O11 Sm1 2.432(3) 1_565 ?
O12 Sm1 2.290(3) 2_676 ?
O1W Sm1 2.466(3) . ?
O1W H1X 0.9673 . ?
O1W H1Y 0.9656 . ?
O2W Sm1 2.402(3) . ?
O2W H2X 0.9654 . ?
O2W H2Y 0.9647 . ?
O3W Sm1 2.443(3) . ?
O3W H3X 0.9644 . ?
O3W H3Y 0.9661 . ?
O4W Sm2 2.444(3) . ?
O4W H4X 0.9665 . ?
O4W H4Y 0.9640 . ?
O5W Sm2 2.399(3) . ?
O5W H5X 0.9648 . ?
O5W H5Y 0.9646 . ?
O6W Sm2 2.463(3) . ?
O6W H6X 0.9338 . ?
O6W H6Y 0.7622 . ?
O7W H7X 0.8544 . ?
O7W H7Y 0.8575 . ?
O8W H8X 0.8552 . ?
O8W H8Y 0.8536 . ?
O9W H9X 0.8574 . ?
O9W H9Y 0.8536 . ?
O10W H10X 0.8552 . ?
O10W H10Y 0.8545 . ?
O11W H11X 0.8540 . ?
O11W H11Y 0.8571 . ?
O12W H12X 0.8539 . ?
O12W H12Y 0.8558 . ?
O13W H13X 0.8546 . ?
O13W H13Y 0.8571 . ?
Sm1 O12 2.290(3) 2_676 ?
Sm1 O10 2.296(3) 2_776 ?
Sm1 O2 2.318(3) 2_666 ?
Sm1 O11 2.432(3) 1_545 ?
Sm2 O4 2.334(3) 2_565 ?
Sm2 O7 2.349(3) 2_665 ?
Sm2 O5 2.356(3) 1_445 ?
Sm2 O8 2.413(3) 1_455 ?
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
N1 C1 C2 C3 5.5(7) . . . . ?
C1 C2 C3 C4 -5.3(7) . . . . ?
C1 C2 C3 C11 175.2(4) . . . . ?
C2 C3 C4 C5 0.6(6) . . . . ?
C11 C3 C4 C5 -179.8(4) . . . . ?
C3 C4 C5 N1 4.6(6) . . . . ?
C3 C4 C5 C6 178.9(4) . . . . ?
C4 C5 C6 N2 171.7(4) . . . . ?
N1 C5 C6 N2 -13.3(5) . . . . ?
C4 C5 C6 C7 -6.8(7) . . . . ?
N1 C5 C6 C7 168.1(4) . . . . ?
N2 C6 C7 C8 -1.5(6) . . . . ?
C5 C6 C7 C8 177.0(4) . . . . ?
C6 C7 C8 C9 -3.0(6) . . . . ?
C6 C7 C8 C12 -179.0(4) . . . . ?
C7 C8 C9 C10 7.1(7) . . . . ?
C12 C8 C9 C10 -177.1(4) . . . . ?
C8 C9 C10 N2 -6.8(7) . . . . ?
C2 C3 C11 O1 -18.0(6) . . . . ?
C4 C3 C11 O1 162.4(3) . . . . ?
C2 C3 C11 O2 156.3(4) . . . . ?
C4 C3 C11 O2 -23.3(5) . . . . ?
C9 C8 C12 O4 -5.8(7) . . . . ?
C7 C8 C12 O4 169.9(4) . . . . ?
C9 C8 C12 O3 177.0(4) . . . . ?
C7 C8 C12 O3 -7.4(7) . . . . ?
N3 C13 C14 C15 2.9(6) . . . . ?
C13 C14 C15 C16 -2.1(7) . . . . ?
C13 C14 C15 C23 -177.9(4) . . . . ?
C14 C15 C16 C17 -0.7(7) . . . . ?
C23 C15 C16 C17 175.1(4) . . . . ?
C15 C16 C17 N3 2.9(7) . . . . ?
C15 C16 C17 C18 178.2(4) . . . . ?
N3 C17 C18 C19 178.5(4) . . . . ?
C16 C17 C18 C19 2.8(7) . . . . ?
N3 C17 C18 N4 -11.1(5) . . . . ?
C16 C17 C18 N4 173.2(4) . . . . ?
N4 C18 C19 C20 3.2(7) . . . . ?
C17 C18 C19 C20 172.9(4) . . . . ?
C18 C19 C20 C21 -5.7(7) . . . . ?
C18 C19 C20 C24 -175.6(4) . . . . ?
C19 C20 C21 C22 4.5(7) . . . . ?
C24 C20 C21 C22 173.9(4) . . . . ?
C20 C21 C22 N4 -0.8(7) . . . . ?
C16 C15 C23 O5 -152.1(4) . . . . ?
C14 C15 C23 O5 23.7(7) . . . . ?
C16 C15 C23 O6 26.3(6) . . . . ?
C14 C15 C23 O6 -158.0(4) . . . . ?
C21 C20 C24 O7 -179.4(4) . . . . ?
C19 C20 C24 O7 -9.6(6) . . . . ?
C21 C20 C24 O8 -5.2(6) . . . . ?
C19 C20 C24 O8 164.6(4) . . . . ?
N5 C25 C26 C27 -7.4(6) . . . . ?
C25 C26 C27 C28 8.1(7) . . . . ?
C25 C26 C27 C35 -170.6(4) . . . . ?
C26 C27 C28 C29 -5.4(6) . . . . ?
C35 C27 C28 C29 173.3(4) . . . . ?
C27 C28 C29 N5 1.8(6) . . . . ?
C27 C28 C29 C30 175.5(4) . . . . ?
N5 C29 C30 C31 170.6(4) . . . . ?
C28 C29 C30 C31 -3.5(7) . . . . ?
N5 C29 C30 N6 -9.2(5) . . . . ?
C28 C29 C30 N6 176.8(4) . . . . ?
N6 C30 C31 C32 -0.6(7) . . . . ?
C29 C30 C31 C32 179.7(4) . . . . ?
C30 C31 C32 C33 -2.3(7) . . . . ?
C30 C31 C32 C36 179.4(4) . . . . ?
C31 C32 C33 C34 2.9(7) . . . . ?
C36 C32 C33 C34 -178.6(4) . . . . ?
C32 C33 C34 N6 -0.7(7) . . . . ?
C26 C27 C35 O9 -19.2(6) . . . . ?
C28 C27 C35 O9 162.0(4) . . . . ?
C26 C27 C35 O10 165.4(4) . . . . ?
C28 C27 C35 O10 -13.3(6) . . . . ?
C33 C32 C36 O12 -18.8(6) . . . . ?
C31 C32 C36 O12 159.5(4) . . . . ?
C33 C32 C36 O11 176.9(4) . . . . ?
C31 C32 C36 O11 -4.8(6) . . . . ?
C4 C5 N1 C1 -4.5(5) . . . . ?
C6 C5 N1 C1 -179.6(3) . . . . ?
C4 C5 N1 Co1 177.8(3) . . . . ?
C6 C5 N1 Co1 2.6(4) . . . . ?
C2 C1 N1 C5 -0.5(5) . . . . ?
C2 C1 N1 Co1 177.0(3) . . . . ?
N4 Co1 N1 C5 -81.6(3) . . . . ?
N2 Co1 N1 C5 5.0(2) . . . . ?
N5 Co1 N1 C5 -175.1(2) . . . . ?
N6 Co1 N1 C5 99.6(3) . . . . ?
N4 Co1 N1 C1 101.0(3) . . . . ?
N2 Co1 N1 C1 -172.5(3) . . . . ?
N5 Co1 N1 C1 7.5(3) . . . . ?
N6 Co1 N1 C1 -77.8(3) . . . . ?
C7 C6 N2 C10 2.1(5) . . . . ?
C5 C6 N2 C10 -176.5(3) . . . . ?
C7 C6 N2 Co1 -164.3(3) . . . . ?
C5 C6 N2 Co1 17.1(4) . . . . ?
C9 C10 N2 C6 1.8(5) . . . . ?
C9 C10 N2 Co1 165.4(3) . . . . ?
N1 Co1 N2 C6 -12.0(2) . . . . ?
N4 Co1 N2 C6 79.8(2) . . . . ?
N3 Co1 N2 C6 164.0(2) . . . . ?
N6 Co1 N2 C6 -101.8(2) . . . . ?
N1 Co1 N2 C10 -176.8(3) . . . . ?
N4 Co1 N2 C10 -85.0(3) . . . . ?
N3 Co1 N2 C10 -0.9(3) . . . . ?
N6 Co1 N2 C10 93.4(3) . . . . ?
C16 C17 N3 C13 -2.2(5) . . . . ?
C18 C17 N3 C13 -177.9(3) . . . . ?
C16 C17 N3 Co1 -176.4(3) . . . . ?
C18 C17 N3 Co1 7.9(4) . . . . ?
C14 C13 N3 C17 -0.7(5) . . . . ?
C14 C13 N3 Co1 172.6(3) . . . . ?
N4 Co1 N3 C17 -2.4(2) . . . . ?
N2 Co1 N3 C17 -88.8(2) . . . . ?
N5 Co1 N3 C17 91.4(2) . . . . ?
N6 Co1 N3 C17 176.3(2) . . . . ?
N4 Co1 N3 C13 -175.8(3) . . . . ?
N2 Co1 N3 C13 97.8(3) . . . . ?
N5 Co1 N3 C13 -82.0(3) . . . . ?
N6 Co1 N3 C13 2.9(3) . . . . ?
C21 C22 N4 C18 -1.6(6) . . . . ?
C21 C22 N4 Co1 179.2(3) . . . . ?
C19 C18 N4 C22 0.3(5) . . . . ?
C17 C18 N4 C22 -170.4(3) . . . . ?
C19 C18 N4 Co1 179.7(3) . . . . ?
C17 C18 N4 Co1 9.0(4) . . . . ?
N1 Co1 N4 C22 -7.0(4) . . . . ?
N2 Co1 N4 C22 -91.2(4) . . . . ?
N3 Co1 N4 C22 175.4(4) . . . . ?
N5 Co1 N4 C22 91.0(4) . . . . ?
N1 Co1 N4 C18 173.7(2) . . . . ?
N2 Co1 N4 C18 89.5(2) . . . . ?
N3 Co1 N4 C18 -3.9(2) . . . . ?
N5 Co1 N4 C18 -88.2(2) . . . . ?
C26 C25 N5 C29 3.9(5) . . . . ?
C26 C25 N5 Co1 177.5(3) . . . . ?
C28 C29 N5 C25 -1.2(5) . . . . ?
C30 C29 N5 C25 -175.3(3) . . . . ?
C28 C29 N5 Co1 -175.7(3) . . . . ?
C30 C29 N5 Co1 10.2(4) . . . . ?
N1 Co1 N5 C25 89.7(3) . . . . ?
N4 Co1 N5 C25 -2.2(3) . . . . ?
N3 Co1 N5 C25 -86.2(3) . . . . ?
N6 Co1 N5 C25 179.3(3) . . . . ?
N1 Co1 N5 C29 -96.2(2) . . . . ?
N4 Co1 N5 C29 171.8(2) . . . . ?
N3 Co1 N5 C29 87.9(2) . . . . ?
N6 Co1 N5 C29 -6.6(2) . . . . ?
C33 C34 N6 C30 -2.3(5) . . . . ?
C33 C34 N6 Co1 176.8(3) . . . . ?
C31 C30 N6 C34 2.9(5) . . . . ?
C29 C30 N6 C34 -177.3(3) . . . . ?
C31 C30 N6 Co1 -176.3(3) . . . . ?
C29 C30 N6 Co1 3.4(4) . . . . ?
N1 Co1 N6 C34 -79.7(3) . . . . ?
N2 Co1 N6 C34 4.6(3) . . . . ?
N3 Co1 N6 C34 98.0(2) . . . . ?
N5 Co1 N6 C34 -177.6(3) . . . . ?
N1 Co1 N6 C30 99.5(2) . . . . ?
N2 Co1 N6 C30 -176.2(2) . . . . ?
N3 Co1 N6 C30 -82.8(2) . . . . ?
N5 Co1 N6 C30 1.6(2) . . . . ?
O1 C11 O2 Sm1 -5.3(4) . . . 2_666 ?
C3 C11 O2 Sm1 -179.2(2) . . . 2_666 ?
O4 C12 O3 Sm2 23.2(8) . . . . ?
C8 C12 O3 Sm2 -159.8(2) . . . . ?
O3 C12 O4 Sm2 16.4(9) . . . 2_565 ?
C8 C12 O4 Sm2 -160.7(3) . . . 2_565 ?
O6 C23 O5 Sm2 -16.6(7) . . . 1_665 ?
C15 C23 O5 Sm2 161.7(2) . . . 1_665 ?
O7 C24 O8 Sm2 6.8(4) . . . 1_655 ?
C20 C24 O8 Sm2 -167.4(3) . . . 1_655 ?
O9 C35 O10 Sm1 46.4(6) . . . 2_776 ?
C27 C35 O10 Sm1 -138.5(3) . . . 2_776 ?
O12 C36 O11 Sm1 2.8(7) . . . 1_565 ?
C32 C36 O11 Sm1 166.7(2) . . . 1_565 ?
O11 C36 O12 Sm1 -41.5(7) . . . 2_676 ?
C32 C36 O12 Sm1 156.3(3) . . . 2_676 ?
C12 O3 Sm2 O4 -38.8(4) . . . 2_565 ?
C12 O3 Sm2 O7 22.3(4) . . . 2_665 ?
C12 O3 Sm2 O5 -144.9(4) . . . 1_445 ?
C12 O3 Sm2 O5W 106.0(4) . . . . ?
C12 O3 Sm2 O8 -105.0(4) . . . 1_455 ?
C12 O3 Sm2 O4W 177.7(4) . . . . ?
C12 O3 Sm2 O6W 58.9(4) . . . . ?
