#------------------------------------------------------------------------------
#$Date: 2016-03-26 17:22:32 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180390 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/59/7205997.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_7205997
loop_
_publ_author_name
'Molčanov, Krešimir'
'Sabljić, Igor'
'Kojić-Prodić, Biserka'
_publ_section_title
;
 Face-to-face π-stacking in the multicomponent crystals of chloranilic
 acid, alkali hydrogenchloranilates, and water
;
_journal_issue                   12
_journal_name_full               CrystEngComm
_journal_page_first              4211
_journal_paper_doi               10.1039/c1ce05161j
_journal_volume                  13
_journal_year                    2011
_chemical_formula_moiety         'C8 H9 Cl2 N4 Na1 O6'
_chemical_formula_sum            'C8 H9 Cl2 N4 Na O6'
_chemical_formula_weight         351.08
_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'
_audit_creation_date             2008-02-29T12:33:07-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 90.850(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.8219(2)
_cell_length_b                   7.0831(2)
_cell_length_c                   19.9550(4)
_cell_measurement_reflns_used    0
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      0
_cell_measurement_theta_min      0
_cell_volume                     1388.11(6)
_computing_cell_refinement
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.11 (release 31-10-2007 CrysAlis171 .NET)
(compiled Oct 31 2007,17:16:07)
;
_computing_data_collection
;
CrysAlis CCD, Oxford Diffraction Ltd.,
Version 1.171.32.11 (release 31-10-2007 CrysAlis171 .NET)
(compiled Oct 31 2007,17:16:07)
;
_computing_data_reduction
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.11 (release 31-10-2007 CrysAlis171 .NET)
(compiled Oct 31 2007,17:16:07)
;
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 10.4323
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'Oxford Xcalibur Nova'
_diffrn_measurement_method
;
CCD detector
;
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'Enhance (Cu) X-ray Source'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0357
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            14080
_diffrn_reflns_theta_full        76.51
_diffrn_reflns_theta_max         76.51
_diffrn_reflns_theta_min         4.43
_exptl_absorpt_coefficient_mu    4.859
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            'dark red'
_exptl_crystal_density_diffrn    1.68
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             712
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.562
_refine_diff_density_min         -0.186
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     226
_refine_ls_number_reflns         2873
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.045
_refine_ls_R_factor_gt           0.046
_refine_ls_shift/su_max          0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0784P)²+0.1940P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1223
_reflns_number_gt                2364
_reflns_number_total             2873
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1ce05161j.txt
_cod_data_source_block           ureja-ca-2
_cod_database_code               7205997
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_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
_atom_site_disorder_assembly
Cl2 Cl 0.98634(5) 0.30704(9) 0.23812(3) 0.05562(19) Uani 1 d . . .
Cl1 Cl 0.34699(6) 0.30352(13) 0.27357(4) 0.0772(3) Uani 1 d . . .
O4 O 0.77022(16) 0.3446(3) 0.13020(7) 0.0616(5) Uani 1 d . . .
O2 O 0.55876(18) 0.2640(3) 0.37901(8) 0.0655(5) Uani 1 d . . .
O1 O 0.82614(16) 0.2788(3) 0.36270(8) 0.0626(5) Uani 1 d . . .
C6 C 0.8109(2) 0.3096(3) 0.24592(10) 0.0412(4) Uani 1 d . . .
C2 C 0.6049(2) 0.2876(3) 0.31767(10) 0.0457(5) Uani 1 d . . .
O3 O 0.50251(17) 0.3562(3) 0.14858(9) 0.0675(5) Uani 1 d . . .
C4 C 0.5740(2) 0.3317(3) 0.19816(11) 0.0481(5) Uani 1 d . . .
C5 C 0.7300(2) 0.3284(3) 0.18881(10) 0.0447(5) Uani 1 d . . .
C1 C 0.7577(2) 0.2918(3) 0.31049(10) 0.0428(4) Uani 1 d . . .
Na1 Na 0.61748(8) 0.53128(14) 0.06043(4) 0.0504(2) Uani 1 d . . .
O6 O 0.79653(17) 0.6864(3) 0.00797(8) 0.0565(4) Uani 1 d . . .
O5 O 0.57861(17) 0.3195(2) -0.02727(9) 0.0575(4) Uani 1 d . . .
C8 C 0.8675(2) 0.6556(4) -0.04215(11) 0.0516(5) Uani 1 d . . .
N4 N 0.9952(2) 0.7132(4) -0.04499(14) 0.0724(7) Uani 1 d . . .
C7 C 0.6264(2) 0.1594(4) -0.03446(11) 0.0518(5) Uani 1 d . . .
N2 N 0.6028(3) 0.0578(5) -0.08978(14) 0.0760(7) Uani 1 d . . .
N1 N 0.7104(3) 0.0828(4) 0.01175(12) 0.0687(6) Uani 1 d D . .
N3 N 0.8158(3) 0.5657(5) -0.09461(13) 0.0867(9) Uani 1 d D . .
C3 C 0.5207(2) 0.3067(3) 0.26448(11) 0.0496(5) Uani 1 d . . .
H1A H 0.733(3) -0.039(5) 0.0089(15) 0.072(9) Uiso 1 d . . .
H4B H 1.031(4) 0.773(5) -0.012(2) 0.084(11) Uiso 1 d . . .
H2 H 0.622(4) 0.249(5) 0.406(2) 0.092(11) Uiso 1 d . . .
H4A H 1.047(4) 0.691(5) -0.078(2) 0.092(12) Uiso 1 d . . .
H1B H 0.713(3) 0.130(5) 0.0498(11) 0.075(9) Uiso 1 d D . .
H2B H 0.636(4) -0.046(6) -0.096(2) 0.099(14) Uiso 1 d . . .
H3A H 0.866(4) 0.539(5) -0.1264(18) 0.084(10) Uiso 1 d . . .
H2A H 0.544(4) 0.107(6) -0.1142(19) 0.094(12) Uiso 1 d . . .
H3B H 0.738(2) 0.526(5) -0.0888(19) 0.093(12) Uiso 1 d D . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0 0 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.1353 0.1239 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.018 '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
C5 O4 Na1 112.80(14) . . ?
C2 O2 H2 111(3) . . ?
C1 O1 Na1 135.58(17) . 2_645 ?
C5 C6 C1 123.16(19) . . ?
C5 C6 Cl2 119.07(16) . . ?
C1 C6 Cl2 117.77(15) . . ?
O2 C2 C3 122.0(2) . . ?
O2 C2 C1 116.43(18) . . ?
C3 C2 C1 121.62(18) . . ?
C4 O3 Na1 112.98(15) . . ?
O3 C4 C3 123.4(2) . . ?
O3 C4 C5 117.7(2) . . ?
C3 C4 C5 118.87(18) . . ?
O3 C4 Na1 46.01(12) . . ?
C3 C4 Na1 156.81(17) . . ?
C5 C4 Na1 75.66(11) . . ?
O4 C5 C6 126.5(2) . . ?
O4 C5 C4 116.13(18) . . ?
C6 C5 C4 117.33(18) . . ?
O4 C5 Na1 45.65(11) . . ?
C6 C5 Na1 155.49(16) . . ?
C4 C5 Na1 75.69(11) . . ?
O1 C1 C6 125.2(2) . . ?
O1 C1 C2 116.61(18) . . ?
C6 C1 C2 118.23(17) . . ?
O5 Na1 O5 87.28(7) 3_665 . ?
O5 Na1 O6 106.83(7) 3_665 . ?
O5 Na1 O6 94.72(7) . . ?
O5 Na1 O1 91.87(7) 3_665 2_655 ?
O5 Na1 O1 170.97(8) . 2_655 ?
O6 Na1 O1 76.91(6) . 2_655 ?
O5 Na1 O4 158.44(7) 3_665 . ?
O5 Na1 O4 99.97(7) . . ?
O6 Na1 O4 92.89(7) . . ?
O1 Na1 O4 84.03(7) 2_655 . ?
O5 Na1 O3 92.68(7) 3_665 . ?
O5 Na1 O3 98.14(8) . . ?
O6 Na1 O3 157.10(7) . . ?
O1 Na1 O3 90.88(7) 2_655 . ?
O4 Na1 O3 66.31(6) . . ?
O5 Na1 C5 137.40(7) 3_665 . ?
O5 Na1 C5 111.80(7) . . ?
O6 Na1 C5 108.93(6) . . ?
O1 Na1 C5 74.65(6) 2_655 . ?
O4 Na1 C5 21.55(6) . . ?
O3 Na1 C5 48.53(5) . . ?
O5 Na1 C4 109.77(7) 3_665 . ?
O5 Na1 C4 110.24(7) . . ?
O6 Na1 C4 136.11(6) . . ?
O1 Na1 C4 78.50(7) 2_655 . ?
O4 Na1 C4 48.67(6) . . ?
O3 Na1 C4 21.01(5) . . ?
C5 Na1 C4 28.65(5) . . ?
O5 Na1 Na1 44.18(5) 3_665 3_665 ?
O5 Na1 Na1 43.10(4) . 3_665 ?
O6 Na1 Na1 104.80(6) . 3_665 ?
O1 Na1 Na1 135.35(6) 2_655 3_665 ?
O4 Na1 Na1 139.19(7) . 3_665 ?
O3 Na1 Na1 97.51(5) . 3_665 ?
C5 Na1 Na1 139.69(6) . 3_665 ?
C4 Na1 Na1 118.21(6) . 3_665 ?
C8 O6 Na1 135.32(17) . . ?
C7 O5 Na1 135.25(15) . 3_665 ?
C7 O5 Na1 128.24(14) . . ?
Na1 O5 Na1 92.72(7) 3_665 . ?
O6 C8 N3 120.5(2) . . ?
O6 C8 N4 121.5(2) . . ?
N3 C8 N4 118.0(2) . . ?
C8 N4 H4B 120(2) . . ?
C8 N4 H4A 123(3) . . ?
H4B N4 H4A 117(3) . . ?
O5 C7 N2 121.9(2) . . ?
O5 C7 N1 121.4(2) . . ?
N2 C7 N1 116.6(3) . . ?
C7 N2 H2B 123(3) . . ?
C7 N2 H2A 112(3) . . ?
H2B N2 H2A 125(4) . . ?
C7 N1 H1A 120(2) . . ?
C7 N1 H1B 118(2) . . ?
H1A N1 H1B 117(3) . . ?
C8 N3 H3A 119(2) . . ?
C8 N3 H3B 114(3) . . ?
H3A N3 H3B 127(3) . . ?
C2 C3 C4 120.7(2) . . ?
C2 C3 Cl1 121.06(17) . . ?
C4 C3 Cl1 118.24(16) . . ?
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
Cl2 C6 1.733(2) . ?
Cl1 C3 1.719(2) . ?
O4 C5 1.245(3) . ?
O4 Na1 2.4240(18) . ?
O2 C2 1.322(3) . ?
O2 H2 0.83(4) . ?
O1 C1 1.235(3) . ?
O1 Na1 2.389(2) 2_645 ?
C6 C5 1.386(3) . ?
C6 C1 1.403(3) . ?
C2 C3 1.342(3) . ?
C2 C1 1.510(3) . ?
O3 C4 1.217(3) . ?
O3 Na1 2.443(2) . ?
C4 C3 1.441(3) . ?
C4 C5 1.546(3) . ?
C4 Na1 3.125(2) . ?
C5 Na1 3.125(2) . ?
Na1 O5 2.2863(18) 3_665 ?
Na1 O5 2.3323(18) . ?
Na1 O6 2.3346(19) . ?
Na1 O1 2.389(2) 2_655 ?
Na1 Na1 3.3425(15) 3_665 ?
O6 C8 1.247(3) . ?
O5 C7 1.236(3) . ?
O5 Na1 2.2863(18) 3_665 ?
C8 N3 1.320(3) . ?
C8 N4 1.321(3) . ?
N4 H4B 0.85(4) . ?
N4 H4A 0.86(4) . ?
C7 N2 1.335(3) . ?
C7 N1 1.343(3) . ?
N2 H2B 0.81(4) . ?
N2 H2A 0.83(4) . ?
N1 H1A 0.89(3) . ?
N1 H1B 0.830(18) . ?
N3 H3A 0.83(4) . ?
N3 H3B 0.827(18) . ?
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
Na1 O3 C4 C3 153.3(2) . . . . ?
Na1 O3 C4 C5 -26.4(3) . . . . ?
Na1 O4 C5 C6 -149.2(2) . . . . ?
Na1 O4 C5 C4 30.2(2) . . . . ?
C1 C6 C5 O4 -179.9(2) . . . . ?
Cl2 C6 C5 O4 -0.1(3) . . . . ?
C1 C6 C5 C4 0.7(3) . . . . ?
Cl2 C6 C5 C4 -179.48(15) . . . . ?
C1 C6 C5 Na1 118.2(3) . . . . ?
Cl2 C6 C5 Na1 -61.9(4) . . . . ?
O3 C4 C5 O4 -2.5(3) . . . . ?
C3 C4 C5 O4 177.8(2) . . . . ?
Na1 C4 C5 O4 -21.76(18) . . . . ?
O3 C4 C5 C6 177.0(2) . . . . ?
C3 C4 C5 C6 -2.8(3) . . . . ?
Na1 C4 C5 C6 157.7(2) . . . . ?
O3 C4 C5 Na1 19.3(2) . . . . ?
C3 C4 C5 Na1 -160.5(2) . . . . ?
Na1 O1 C1 C6 -106.0(2) 2_645 . . . ?
Na1 O1 C1 C2 73.9(3) 2_645 . . . ?
C5 C6 C1 O1 -178.3(2) . . . . ?
Cl2 C6 C1 O1 1.8(3) . . . . ?
C5 C6 C1 C2 1.7(3) . . . . ?
Cl2 C6 C1 C2 -178.12(15) . . . . ?
O2 C2 C1 O1 -2.3(3) . . . . ?
C3 C2 C1 O1 177.8(2) . . . . ?
O2 C2 C1 C6 177.7(2) . . . . ?
C3 C2 C1 C6 -2.2(3) . . . . ?
C5 O4 Na1 O5 -17.3(3) . . . 3_665 ?
C5 O4 Na1 O5 -125.54(17) . . . . ?
C5 O4 Na1 O6 139.15(17) . . . . ?
C5 O4 Na1 O1 62.64(17) . . . 2_655 ?
C5 O4 Na1 O3 -30.96(16) . . . . ?
C5 O4 Na1 C4 -17.29(15) . . . . ?
C5 O4 Na1 Na1 -104.12(17) . . . 3_665 ?
C4 O3 Na1 O5 -145.33(19) . . . 3_665 ?
C4 O3 Na1 O5 127.03(19) . . . . ?
C4 O3 Na1 O6 3.5(3) . . . . ?
C4 O3 Na1 O1 -53.42(19) . . . 2_655 ?
C4 O3 Na1 O4 29.67(18) . . . . ?
C4 O3 Na1 C5 15.06(16) . . . . ?
C4 O3 Na1 Na1 170.55(18) . . . 3_665 ?
O4 C5 Na1 O5 170.73(17) . . . 3_665 ?
C6 C5 Na1 O5 -107.2(4) . . . 3_665 ?
C4 C5 Na1 O5 18.48(17) . . . 3_665 ?
O4 C5 Na1 O5 59.67(18) . . . . ?
C6 C5 Na1 O5 141.8(4) . . . . ?
C4 C5 Na1 O5 -92.58(13) . . . . ?
O4 C5 Na1 O6 -43.68(18) . . . . ?
C6 C5 Na1 O6 38.4(4) . . . . ?
C4 C5 Na1 O6 164.07(12) . . . . ?
O4 C5 Na1 O1 -113.66(18) . . . 2_655 ?
C6 C5 Na1 O1 -31.6(4) . . . 2_655 ?
C4 C5 Na1 O1 94.09(12) . . . 2_655 ?
C6 C5 Na1 O4 82.1(4) . . . . ?
C4 C5 Na1 O4 -152.3(2) . . . . ?
O4 C5 Na1 O3 141.0(2) . . . . ?
C6 C5 Na1 O3 -136.8(4) . . . . ?
C4 C5 Na1 O3 -11.20(12) . . . . ?
O4 C5 Na1 C4 152.3(2) . . . . ?
C6 C5 Na1 C4 -125.6(4) . . . . ?
O4 C5 Na1 Na1 101.57(18) . . . 3_665 ?
C6 C5 Na1 Na1 -176.3(3) . . . 3_665 ?
C4 C5 Na1 Na1 -50.68(15) . . . 3_665 ?
O3 C4 Na1 O5 37.1(2) . . . 3_665 ?
C3 C4 Na1 O5 -34.8(4) . . . 3_665 ?
C5 C4 Na1 O5 -166.82(12) . . . 3_665 ?
O3 C4 Na1 O5 -57.4(2) . . . . ?
C3 C4 Na1 O5 -129.3(4) . . . . ?
C5 C4 Na1 O5 98.66(12) . . . . ?
O3 C4 Na1 O6 -178.04(19) . . . . ?
C3 C4 Na1 O6 110.0(4) . . . . ?
C5 C4 Na1 O6 -22.00(16) . . . . ?
O3 C4 Na1 O1 125.0(2) . . . 2_655 ?
C3 C4 Na1 O1 53.0(4) . . . 2_655 ?
C5 C4 Na1 O1 -78.98(12) . . . 2_655 ?
O3 C4 Na1 O4 -142.9(2) . . . . ?
C3 C4 Na1 O4 145.2(4) . . . . ?
C5 C4 Na1 O4 13.16(11) . . . . ?
C3 C4 Na1 O3 -72.0(4) . . . . ?
C5 C4 Na1 O3 156.0(3) . . . . ?
O3 C4 Na1 C5 -156.0(3) . . . . ?
C3 C4 Na1 C5 132.0(5) . . . . ?
O3 C4 Na1 Na1 -10.6(2) . . . 3_665 ?
C3 C4 Na1 Na1 -82.6(4) . . . 3_665 ?
C5 C4 Na1 Na1 145.39(11) . . . 3_665 ?
O5 Na1 O6 C8 -100.4(2) 3_665 . . . ?
O5 Na1 O6 C8 -11.8(2) . . . . ?
O1 Na1 O6 C8 171.6(2) 2_655 . . . ?
O4 Na1 O6 C8 88.4(2) . . . . ?
O3 Na1 O6 C8 112.3(3) . . . . ?
C5 Na1 O6 C8 103.1(2) . . . . ?
C4 Na1 O6 C8 114.1(2) . . . . ?
Na1 Na1 O6 C8 -54.4(2) 3_665 . . . ?
O5 Na1 O5 C7 -160.5(2) 3_665 . . . ?
O6 Na1 O5 C7 92.8(2) . . . . ?
O1 Na1 O5 C7 114.7(4) 2_655 . . . ?
O4 Na1 O5 C7 -0.9(2) . . . . ?
O3 Na1 O5 C7 -68.2(2) . . . . ?
C5 Na1 O5 C7 -19.7(2) . . . . ?
C4 Na1 O5 C7 -50.4(2) . . . . ?
Na1 Na1 O5 C7 -160.5(2) 3_665 . . . ?
O5 Na1 O5 Na1 0 3_665 . . 3_665 ?
O6 Na1 O5 Na1 -106.67(7) . . . 3_665 ?
O1 Na1 O5 Na1 -84.8(4) 2_655 . . 3_665 ?
O4 Na1 O5 Na1 159.55(7) . . . 3_665 ?
O3 Na1 O5 Na1 92.32(7) . . . 3_665 ?
C5 Na1 O5 Na1 140.77(7) . . . 3_665 ?
C4 Na1 O5 Na1 110.08(7) . . . 3_665 ?
Na1 O6 C8 N3 31.7(4) . . . . ?
Na1 O6 C8 N4 -149.2(2) . . . . ?
Na1 O5 C7 N2 33.1(4) 3_665 . . . ?
Na1 O5 C7 N2 -175.2(2) . . . . ?
Na1 O5 C7 N1 -150.3(2) 3_665 . . . ?
Na1 O5 C7 N1 1.4(4) . . . . ?
O2 C2 C3 C4 -179.8(2) . . . . ?
C1 C2 C3 C4 0.1(4) . . . . ?
O2 C2 C3 Cl1 0.6(4) . . . . ?
C1 C2 C3 Cl1 -179.49(17) . . . . ?
O3 C4 C3 C2 -177.4(2) . . . . ?
C5 C4 C3 C2 2.4(4) . . . . ?
Na1 C4 C3 C2 -122.3(3) . . . . ?
O3 C4 C3 Cl1 2.2(4) . . . . ?
C5 C4 C3 Cl1 -178.03(16) . . . . ?
Na1 C4 C3 Cl1 57.3(5) . . . . ?
