#------------------------------------------------------------------------------
#$Date: 2016-03-26 16:24:46 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180337 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/06/7200648.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_7200648
loop_
_publ_author_name
'Deng, Hai-Ying'
'He, Jian-Rong'
'Pan, Mei'
'Li, Lei'
'Su, Cheng-Yong'
_publ_section_title
;
 Synergistic metal and anion effects on the formation of coordination
 assemblies from a N,N′-bis(3-pyridylmethyl)naphthalene diimide
 ligand
;
_journal_issue                   5
_journal_name_full               CrystEngComm
_journal_page_first              909
_journal_paper_doi               10.1039/b819608g
_journal_volume                  11
_journal_year                    2009
_chemical_formula_sum            'C54 H34 Cd2 Cl6 I4 N8 O8'
_chemical_formula_weight         1867.99
_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                90.289(16)
_cell_angle_beta                 107.61(2)
_cell_angle_gamma                105.634(19)
_cell_formula_units_Z            1
_cell_length_a                   11.382(3)
_cell_length_b                   11.755(2)
_cell_length_c                   12.480(3)
_cell_measurement_reflns_used    5588
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      29.6537
_cell_measurement_theta_min      3.0106
_cell_volume                     1525.8(7)
_computing_cell_refinement
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.31.7 (release 18-10-2006 CrysAlis171 .NET)
(compiled Oct 18 2006,16:28:17)
;
_computing_data_collection
;
CrysAlis CCD, Oxford Diffraction Ltd.,
Version 1.171.31.7 (release 18-10-2006 CrysAlis171 .NET)
(compiled Oct 18 2006,16:28:17)
;
_computing_data_reduction
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.31.7 (release 18-10-2006 CrysAlis171 .NET)
(compiled Oct 18 2006,16:28:17)
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 16.0855
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  'Oxford Germioni S Ultra'
_diffrn_measurement_method       'ω and π scan'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0269
_diffrn_reflns_av_sigmaI/netI    0.0494
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            14122
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         3.02
_exptl_absorpt_coefficient_mu    3.042
_exptl_absorpt_correction_T_max  0.5814
_exptl_absorpt_correction_T_min  0.5542
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.31.7 (release 18-10-2006 CrysAlis171 .NET)
(compiled Oct 18 2006,16:28:17)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    2.033
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             888
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.328
_refine_diff_density_min         -1.154
_refine_diff_density_rms         0.137
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    geom
_refine_ls_matrix_type           full
_refine_ls_number_parameters     370
_refine_ls_number_reflns         5880
_refine_ls_number_restraints     36
_refine_ls_restrained_S_all      1.069
_refine_ls_R_factor_all          0.0865
_refine_ls_R_factor_gt           0.0501
_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)+(0.1100P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1448
_refine_ls_wR_factor_ref         0.1774
_reflns_number_gt                3469
_reflns_number_total             5880
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b819608g.txt
_cod_data_source_block           1
_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 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        1525.8(6)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7200648
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
Cd1 Cd 0.45462(6) 0.02332(6) 0.70665(5) 0.0530(2) Uani 1 1 d . . .
I2 I 0.25621(6) -0.17807(6) 0.64330(5) 0.0667(2) Uani 1 1 d . . .
I1 I 0.71302(6) 0.07351(6) 0.75728(5) 0.0683(2) Uani 1 1 d . . .
N3 N -0.1289(6) 0.7572(5) 0.0719(5) 0.0471(16) Uani 1 1 d . . .
N2 N 0.0484(6) 0.2579(5) 0.3013(5) 0.0453(15) Uani 1 1 d . . .
N1 N 0.3913(7) 0.1307(7) 0.5558(6) 0.0618(19) Uani 1 1 d . . .
N4 N -0.4306(7) 0.9043(6) 0.1313(5) 0.0503(16) Uani 1 1 d . . .
O4 O -0.2257(7) 0.6528(5) -0.1012(5) 0.0641(16) Uani 1 1 d . . .
O2 O 0.1277(7) 0.3561(6) 0.4773(5) 0.0679(17) Uani 1 1 d . . .
O3 O -0.0506(6) 0.8559(5) 0.2475(5) 0.0616(16) Uani 1 1 d . . .
O1 O -0.0446(6) 0.1544(5) 0.1277(5) 0.0642(16) Uani 1 1 d . . .
C20 C -0.0291(7) 0.4552(5) 0.2094(5) 0.0367(16) Uani 1 1 d . . .
C19 C -0.0628(6) 0.5559(5) 0.1627(6) 0.0352(15) Uani 1 1 d . . .
C8 C 0.0411(8) 0.4654(6) 0.3259(6) 0.0452(18) Uani 1 1 d . . .
C16 C -0.1291(7) 0.3466(7) 0.0259(7) 0.0476(18) Uani 1 1 d . . .
H16A H -0.1519 0.2757 -0.0219 0.057 Uiso 1 1 calc R . .
C15 C -0.1650(8) 0.4454(6) -0.0187(6) 0.0429(17) Uani 1 1 d . . .
H15A H -0.2124 0.4407 -0.0964 0.051 Uiso 1 1 calc R . .
C14 C -0.1324(7) 0.5490(7) 0.0482(6) 0.0447(18) Uani 1 1 d . . .
C7 C 0.0785(8) 0.3578(7) 0.3767(7) 0.0504(19) Uani 1 1 d . . .
C13 C -0.1680(8) 0.6526(7) -0.0014(7) 0.054(2) Uani 1 1 d . . .
C17 C -0.0620(7) 0.3508(6) 0.1370(6) 0.0410(16) Uani 1 1 d . . .
C18 C -0.0196(8) 0.2465(7) 0.1853(7) 0.0502(19) Uani 1 1 d . . .
C11 C -0.0313(8) 0.6606(6) 0.2336(7) 0.0448(18) Uani 1 1 d . . .
C9 C 0.0714(9) 0.5688(7) 0.3922(7) 0.059(2) Uani 1 1 d . . .
H9A H 0.1163 0.5723 0.4704 0.071 Uiso 1 1 calc R . .
C12 C -0.0692(8) 0.7661(7) 0.1900(7) 0.054(2) Uani 1 1 d . . .
C2 C 0.2255(8) 0.1765(7) 0.4092(7) 0.0507(19) Uani 1 1 d . . .
C10 C 0.0393(8) 0.6671(7) 0.3498(7) 0.055(2) Uani 1 1 d . . .
H10A H 0.0638 0.7385 0.3972 0.066 Uiso 1 1 calc R . .
C6 C 0.0805(8) 0.1534(7) 0.3503(8) 0.058(2) Uani 1 1 d . . .
H6A H 0.0508 0.0877 0.2898 0.070 Uiso 1 1 calc R . .
H6B H 0.0343 0.1284 0.4057 0.070 Uiso 1 1 calc R . .
C21 C -0.1663(8) 0.8640(6) 0.0222(7) 0.0468(19) Uani 1 1 d . . .
H21A H -0.1663 0.8644 -0.0571 0.056 Uiso 1 1 calc R . .
H21B H -0.1024 0.9373 0.0651 0.056 Uiso 1 1 calc R . .
C1 C 0.2670(8) 0.1207(7) 0.5041(6) 0.0502(19) Uani 1 1 d . . .
H1A H 0.2049 0.0732 0.5342 0.060 Uiso 1 1 calc R . .
C5 C 0.4777(9) 0.1955(9) 0.5122(9) 0.068(3) Uani 1 1 d . . .
H5A H 0.5660 0.2021 0.5482 0.081 Uiso 1 1 calc R . .
C3 C 0.3150(9) 0.2427(9) 0.3637(8) 0.064(2) Uani 1 1 d . . .
H3A H 0.2898 0.2809 0.2972 0.077 Uiso 1 1 calc R . .
C4 C 0.4452(10) 0.2518(10) 0.4194(9) 0.081(3) Uani 1 1 d . . .
H4A H 0.5099 0.2978 0.3912 0.098 Uiso 1 1 calc R . .
C23 C -0.2977(9) 0.8619(6) 0.0264(7) 0.051(2) Uani 1 1 d . . .
C22 C -0.3127(8) 0.9114(7) 0.1233(6) 0.0472(18) Uani 1 1 d . . .
H22A H -0.2384 0.9505 0.1842 0.057 Uiso 1 1 calc R . .
C26 C -0.5323(8) 0.8507(8) 0.0464(8) 0.061(2) Uani 1 1 d . . .
H26A H -0.6146 0.8449 0.0531 0.073 Uiso 1 1 calc R . .
C24 C -0.4085(8) 0.8090(8) -0.0607(7) 0.062(2) Uani 1 1 d . . .
H24A H -0.4029 0.7764 -0.1282 0.074 Uiso 1 1 calc R . .
C25 C -0.5263(9) 0.8030(9) -0.0508(7) 0.069(3) Uani 1 1 d . . .
H25A H -0.6026 0.7661 -0.1107 0.083 Uiso 1 1 calc R . .
Cl3 Cl -0.3271(5) 0.4494(4) 0.2863(5) 0.1569(17) Uani 1 1 d DU . .
Cl2 Cl -0.5122(8) 0.5520(7) 0.3251(8) 0.274(4) Uani 1 1 d DU . .
Cl1 Cl -0.4227(9) 0.6063(9) 0.1453(9) 0.378(7) Uani 1 1 d DU . .
C27 C -0.3723(15) 0.5733(12) 0.2887(13) 0.150(5) Uani 1 1 d DU . .
H27A H -0.3009 0.6402 0.3373 0.181 Uiso 1 1 calc R . .
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'
Cd Cd -0.8075 1.2024 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
I I -0.4742 1.8119 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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 Cd1 N4 112.0(2) . 2_566 ?
N1 Cd1 I1 105.15(19) . . ?
N4 Cd1 I1 103.04(17) 2_566 . ?
N1 Cd1 I2 99.5(2) . . ?
N4 Cd1 I2 102.07(17) 2_566 . ?
I1 Cd1 I2 134.63(3) . . ?
C12 N3 C13 125.0(6) . . ?
C12 N3 C21 117.4(6) . . ?
C13 N3 C21 117.3(6) . . ?
C7 N2 C18 125.6(6) . . ?
C7 N2 C6 116.5(7) . . ?
C18 N2 C6 117.6(6) . . ?
C5 N1 C1 118.4(8) . . ?
C5 N1 Cd1 120.1(6) . . ?
C1 N1 Cd1 121.2(6) . . ?
C26 N4 C22 118.6(7) . . ?
C26 N4 Cd1 119.9(6) . 2_566 ?
C22 N4 Cd1 121.4(5) . 2_566 ?
C17 C20 C8 122.9(6) . . ?
C17 C20 C19 118.6(6) . . ?
C8 C20 C19 118.4(6) . . ?
C14 C19 C11 120.5(6) . . ?
C14 C19 C20 120.0(6) . . ?
C11 C19 C20 119.5(6) . . ?
C9 C8 C20 120.6(7) . . ?
C9 C8 C7 120.6(7) . . ?
C20 C8 C7 118.8(6) . . ?
C17 C16 C15 120.7(7) . . ?
C17 C16 H16A 119.6 . . ?
C15 C16 H16A 119.6 . . ?
C14 C15 C16 120.8(7) . . ?
C14 C15 H15A 119.6 . . ?
C16 C15 H15A 119.6 . . ?
C15 C14 C19 119.6(6) . . ?
C15 C14 C13 119.8(7) . . ?
C19 C14 C13 120.6(7) . . ?
O2 C7 N2 121.1(7) . . ?
O2 C7 C8 122.5(7) . . ?
N2 C7 C8 116.4(7) . . ?
O4 C13 N3 119.7(7) . . ?
O4 C13 C14 123.5(7) . . ?
N3 C13 C14 116.8(7) . . ?
C16 C17 C20 120.2(7) . . ?
C16 C17 C18 121.3(7) . . ?
C20 C17 C18 118.5(6) . . ?
O1 C18 N2 120.6(7) . . ?
O1 C18 C17 121.8(7) . . ?
N2 C18 C17 117.6(6) . . ?
C19 C11 C10 120.3(6) . . ?
C19 C11 C12 121.6(7) . . ?
C10 C11 C12 118.2(7) . . ?
C10 C9 C8 122.3(8) . . ?
C10 C9 H9A 118.8 . . ?
C8 C9 H9A 118.8 . . ?
O3 C12 N3 120.4(7) . . ?
O3 C12 C11 124.5(8) . . ?
N3 C12 C11 115.1(7) . . ?
C3 C2 C1 118.7(8) . . ?
C3 C2 C6 121.6(8) . . ?
C1 C2 C6 119.3(7) . . ?
C9 C10 C11 118.8(7) . . ?
C9 C10 H10A 120.6 . . ?
C11 C10 H10A 120.6 . . ?
N2 C6 C2 112.5(6) . . ?
N2 C6 H6A 109.1 . . ?
C2 C6 H6A 109.1 . . ?
N2 C6 H6B 109.1 . . ?
C2 C6 H6B 109.1 . . ?
H6A C6 H6B 107.8 . . ?
N3 C21 C23 110.6(6) . . ?
N3 C21 H21A 109.5 . . ?
C23 C21 H21A 109.5 . . ?
N3 C21 H21B 109.5 . . ?
C23 C21 H21B 109.5 . . ?
H21A C21 H21B 108.1 . . ?
N1 C1 C2 122.7(8) . . ?
N1 C1 H1A 118.7 . . ?
C2 C1 H1A 118.7 . . ?
N1 C5 C4 122.6(9) . . ?
N1 C5 H5A 118.7 . . ?
C4 C5 H5A 118.7 . . ?
C2 C3 C4 117.6(8) . . ?
C2 C3 H3A 121.2 . . ?
C4 C3 H3A 121.2 . . ?
C5 C4 C3 119.9(9) . . ?
C5 C4 H4A 120.1 . . ?
C3 C4 H4A 120.1 . . ?
C24 C23 C22 116.9(8) . . ?
C24 C23 C21 122.4(8) . . ?
C22 C23 C21 120.7(8) . . ?
N4 C22 C23 121.5(7) . . ?
N4 C22 H22A 119.2 . . ?
C23 C22 H22A 119.2 . . ?
N4 C26 C25 123.5(8) . . ?
N4 C26 H26A 118.2 . . ?
C25 C26 H26A 118.2 . . ?
C25 C24 C23 120.6(8) . . ?
C25 C24 H24A 119.7 . . ?
C23 C24 H24A 119.7 . . ?
C24 C25 C26 118.8(8) . . ?
C24 C25 H25A 120.6 . . ?
C26 C25 H25A 120.6 . . ?
Cl3 C27 Cl2 113.0(8) . . ?
Cl3 C27 Cl1 106.1(9) . . ?
Cl2 C27 Cl1 102.2(9) . . ?
Cl3 C27 H27A 111.7 . . ?
Cl2 C27 H27A 111.7 . . ?
Cl1 C27 H27A 111.7 . . ?
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
Cd1 N1 2.313(7) . ?
Cd1 N4 2.309(6) 2_566 ?
Cd1 I1 2.7080(11) . ?
Cd1 I2 2.7109(12) . ?
N3 C12 1.414(10) . ?
N3 C13 1.412(10) . ?
N3 C21 1.508(9) . ?
N2 C7 1.399(10) . ?
N2 C18 1.406(10) . ?
N2 C6 1.459(10) . ?
N1 C5 1.330(11) . ?
N1 C1 1.337(11) . ?
N4 C26 1.310(10) . ?
N4 C22 1.356(10) . ?
N4 Cd1 2.309(6) 2_566 ?
O4 C13 1.221(10) . ?
O2 C7 1.213(9) . ?
O3 C12 1.206(9) . ?
O1 C18 1.213(9) . ?
C20 C17 1.414(9) . ?
C20 C8 1.417(10) . ?
C20 C19 1.415(9) . ?
C19 C14 1.398(10) . ?
C19 C11 1.409(10) . ?
C8 C9 1.368(11) . ?
C8 C7 1.522(10) . ?
C16 C17 1.358(11) . ?
C16 C15 1.396(10) . ?
C16 H16A 0.9500 . ?
C15 C14 1.371(10) . ?
C15 H15A 0.9500 . ?
C14 C13 1.467(11) . ?
C17 C18 1.500(11) . ?
C11 C10 1.420(11) . ?
C11 C12 1.474(11) . ?
C9 C10 1.365(11) . ?
C9 H9A 0.9500 . ?
C2 C3 1.376(12) . ?
C2 C1 1.375(11) . ?
C2 C6 1.536(12) . ?
C10 H10A 0.9500 . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C21 C23 1.507(11) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C1 H1A 0.9500 . ?
C5 C4 1.341(13) . ?
C5 H5A 0.9500 . ?
C3 C4 1.407(14) . ?
C3 H3A 0.9500 . ?
C4 H4A 0.9500 . ?
C23 C24 1.378(12) . ?
C23 C22 1.414(11) . ?
C22 H22A 0.9500 . ?
C26 C25 1.363(13) . ?
C26 H26A 0.9500 . ?
C24 C25 1.366(13) . ?
C24 H24A 0.9500 . ?
C25 H25A 0.9500 . ?
Cl3 C27 1.673(11) . ?
Cl2 C27 1.741(12) . ?
Cl1 C27 1.785(14) . ?
C27 H27A 1.0000 . ?
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 Cd1 N1 C5 113.1(7) 2_566 . . . ?
I1 Cd1 N1 C5 2.0(7) . . . . ?
I2 Cd1 N1 C5 -139.6(7) . . . . ?
N4 Cd1 N1 C1 -73.1(7) 2_566 . . . ?
I1 Cd1 N1 C1 175.7(6) . . . . ?
I2 Cd1 N1 C1 34.1(6) . . . . ?
C17 C20 C19 C14 2.9(10) . . . . ?
C8 C20 C19 C14 -179.7(7) . . . . ?
C17 C20 C19 C11 179.7(7) . . . . ?
C8 C20 C19 C11 -2.9(10) . . . . ?
C17 C20 C8 C9 179.5(8) . . . . ?
C19 C20 C8 C9 2.3(12) . . . . ?
C17 C20 C8 C7 -2.4(11) . . . . ?
C19 C20 C8 C7 -179.6(6) . . . . ?
C17 C16 C15 C14 0.5(12) . . . . ?
C16 C15 C14 C19 -0.1(12) . . . . ?
C16 C15 C14 C13 178.3(7) . . . . ?
C11 C19 C14 C15 -178.3(7) . . . . ?
C20 C19 C14 C15 -1.6(11) . . . . ?
C11 C19 C14 C13 3.3(12) . . . . ?
C20 C19 C14 C13 -180.0(7) . . . . ?
C18 N2 C7 O2 173.4(8) . . . . ?
C6 N2 C7 O2 -0.6(11) . . . . ?
C18 N2 C7 C8 -4.1(11) . . . . ?
C6 N2 C7 C8 -178.1(7) . . . . ?
C9 C8 C7 O2 5.2(13) . . . . ?
C20 C8 C7 O2 -172.9(8) . . . . ?
C9 C8 C7 N2 -177.3(8) . . . . ?
C20 C8 C7 N2 4.6(11) . . . . ?
C12 N3 C13 O4 175.7(8) . . . . ?
C21 N3 C13 O4 2.5(11) . . . . ?
C12 N3 C13 C14 -6.1(11) . . . . ?
C21 N3 C13 C14 -179.3(7) . . . . ?
C15 C14 C13 O4 -0.4(13) . . . . ?
C19 C14 C13 O4 178.0(8) . . . . ?
C15 C14 C13 N3 -178.6(7) . . . . ?
C19 C14 C13 N3 -0.2(11) . . . . ?
C15 C16 C17 C20 0.9(12) . . . . ?
C15 C16 C17 C18 -178.2(7) . . . . ?
C8 C20 C17 C16 -179.8(7) . . . . ?
C19 C20 C17 C16 -2.6(11) . . . . ?
C8 C20 C17 C18 -0.6(11) . . . . ?
C19 C20 C17 C18 176.6(7) . . . . ?
C7 N2 C18 O1 -177.6(8) . . . . ?
C6 N2 C18 O1 -3.6(12) . . . . ?
C7 N2 C18 C17 1.1(12) . . . . ?
C6 N2 C18 C17 175.1(7) . . . . ?
C16 C17 C18 O1 -0.7(12) . . . . ?
C20 C17 C18 O1 -179.9(7) . . . . ?
C16 C17 C18 N2 -179.4(7) . . . . ?
C20 C17 C18 N2 1.4(11) . . . . ?
C14 C19 C11 C10 179.9(8) . . . . ?
C20 C19 C11 C10 3.2(11) . . . . ?
C14 C19 C11 C12 -0.6(11) . . . . ?
C20 C19 C11 C12 -177.4(7) . . . . ?
C20 C8 C9 C10 -1.8(14) . . . . ?
C7 C8 C9 C10 -179.9(8) . . . . ?
C13 N3 C12 O3 -172.6(8) . . . . ?
C21 N3 C12 O3 0.6(11) . . . . ?
C13 N3 C12 C11 8.5(11) . . . . ?
C21 N3 C12 C11 -178.3(6) . . . . ?
C19 C11 C12 O3 176.1(8) . . . . ?
C10 C11 C12 O3 -4.4(13) . . . . ?
C19 C11 C12 N3 -5.0(11) . . . . ?
C10 C11 C12 N3 174.5(7) . . . . ?
C8 C9 C10 C11 1.9(14) . . . . ?
C19 C11 C10 C9 -2.6(13) . . . . ?
C12 C11 C10 C9 177.9(8) . . . . ?
C7 N2 C6 C2 -61.7(10) . . . . ?
C18 N2 C6 C2 123.7(8) . . . . ?
C3 C2 C6 N2 -40.4(11) . . . . ?
C1 C2 C6 N2 145.8(8) . . . . ?
C12 N3 C21 C23 -86.6(9) . . . . ?
C13 N3 C21 C23 87.2(8) . . . . ?
C5 N1 C1 C2 -1.3(12) . . . . ?
Cd1 N1 C1 C2 -175.1(6) . . . . ?
C3 C2 C1 N1 1.8(12) . . . . ?
C6 C2 C1 N1 175.8(7) . . . . ?
C1 N1 C5 C4 0.6(15) . . . . ?
Cd1 N1 C5 C4 174.6(9) . . . . ?
C1 C2 C3 C4 -1.6(13) . . . . ?
C6 C2 C3 C4 -175.4(9) . . . . ?
N1 C5 C4 C3 -0.5(17) . . . . ?
C2 C3 C4 C5 1.0(16) . . . . ?
N3 C21 C23 C24 -90.7(9) . . . . ?
N3 C21 C23 C22 87.1(8) . . . . ?
C26 N4 C22 C23 -0.4(11) . . . . ?
Cd1 N4 C22 C23 176.8(5) 2_566 . . . ?
C24 C23 C22 N4 1.7(11) . . . . ?
C21 C23 C22 N4 -176.1(7) . . . . ?
C22 N4 C26 C25 -1.0(14) . . . . ?
Cd1 N4 C26 C25 -178.3(7) 2_566 . . . ?
C22 C23 C24 C25 -1.7(13) . . . . ?
C21 C23 C24 C25 176.2(7) . . . . ?
C23 C24 C25 C26 0.4(14) . . . . ?
N4 C26 C25 C24 1.1(15) . . . . ?
