#------------------------------------------------------------------------------
#$Date: 2025-10-06 11:35:27 +0200 (Mon 06 de Oct de 2025) $
#$Revision: 302662 $
#$URL: svn://www.crystallography.net/cod/cif/7/71/92/7719232.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_7719232
loop_
_publ_author_name
'Jujam, Manojkumar'
'Yadav, Abhishek Kumar'
'Dharavath, Srinivas'
_publ_section_title
;
 Crystal engineering of dinitropyrazine-based sodium E-MOFs: toward
 thermally robust and low-sensitivity energetic materials.
;
_journal_issue                   35
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              13347
_journal_page_last               13355
_journal_paper_doi               10.1039/d5dt01508a
_journal_volume                  54
_journal_year                    2025
_chemical_formula_moiety         'C4 H4 N4 Na2 O8'
_chemical_formula_sum            'C4 H4 N4 Na2 O8'
_chemical_formula_weight         282.09
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     iterative
_audit_creation_date             2025-05-19
_audit_creation_method
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_audit_update_record
;
2025-06-09 deposited with the CCDC.	2025-07-30 downloaded from the CCDC.
;
_cell_angle_alpha                116.6640(10)
_cell_angle_beta                 90.4290(10)
_cell_angle_gamma                101.4270(10)
_cell_formula_units_Z            2
_cell_length_a                   6.1140(3)
_cell_length_b                   9.0512(4)
_cell_length_c                   9.3073(4)
_cell_measurement_reflns_used    3509
_cell_measurement_temperature    100
_cell_measurement_theta_max      28.32
_cell_measurement_theta_min      2.58
_cell_volume                     448.42(4)
_computing_cell_refinement       'SAINT V8.38A (Bruker, 2018)'
_computing_data_reduction        'SAINT V8.38A (Bruker, 2018)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve 1.3 (Bourhis et al., 2015)'
_diffrn_ambient_temperature      100
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0272
_diffrn_reflns_av_unetI/netI     0.0384
_diffrn_reflns_Laue_measured_fraction_full 0.981
_diffrn_reflns_Laue_measured_fraction_max 0.984
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            4575
_diffrn_reflns_point_group_measured_fraction_full 0.981
_diffrn_reflns_point_group_measured_fraction_max 0.984
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.326
_diffrn_reflns_theta_min         3.420
_diffrn_source_current           1.0
_diffrn_source_power             0.05
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.276
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.5358
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1565 before and 0.0429 after correction.
The Ratio of minimum to maximum transmission is 0.7185.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            'metallic reddish red'
_exptl_crystal_colour_lustre     metallic
_exptl_crystal_colour_modifier   reddish
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    2.089
_exptl_crystal_description       needle
_exptl_crystal_F_000             284
_exptl_crystal_size_max          0.125
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.433
_refine_diff_density_min         -0.266
_refine_diff_density_rms         0.058
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.950
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     179
_refine_ls_number_reflns         2191
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.950
_refine_ls_R_factor_all          0.0304
_refine_ls_R_factor_gt           0.0286
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0397P)²+0.2894P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0777
_refine_ls_wR_factor_ref         0.0794
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2048
_reflns_number_total             2191
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d5dt01508a2.cif
_cod_data_source_block           7janb_0m_a
_cod_depositor_comments
'Adding full bibliography for 7719232--7719234.cif.'
_cod_database_code               7719232
_shelx_shelxl_version_number     2018/3
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_max   0.973
_shelx_estimated_absorpt_t_min   0.966
_olex2_refinement_description
;
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Na2 Na 0.20746(8) 0.91196(6) 0.53215(6) 0.00998(13) Uani 1 1 d . . . . .
Na1 Na 0.43877(8) 0.78963(6) -0.20307(6) 0.01023(13) Uani 1 1 d . . . . .
O8 O 0.13429(15) 0.93325(12) 0.78660(11) 0.01137(18) Uani 1 1 d . . . . .
O6 O 0.22844(15) 0.62831(11) 0.52920(10) 0.01150(18) Uani 1 1 d . . . . .
O5 O 0.28866(15) 0.37379(11) 0.40529(11) 0.01207(19) Uani 1 1 d . . . . .
O1 O 0.20587(14) 0.22009(11) 0.07955(10) 0.00982(18) Uani 1 1 d . . . . .
O2 O 0.26869(14) 0.57899(11) -0.14259(10) 0.01017(18) Uani 1 1 d . . . . .
O4 O 0.39230(15) 0.98440(11) 0.32947(10) 0.01053(18) Uani 1 1 d . . . . .
O7 O 0.15381(15) 1.19102(12) 0.62218(11) 0.01161(18) Uani 1 1 d . . . . .
O3 O 0.35967(15) 0.91302(11) 0.07405(11) 0.01204(19) Uani 1 1 d . . . . .
N4 N 0.35163(16) 0.87217(12) 0.18435(12) 0.00754(19) Uani 1 1 d . . . . .
N1 N 0.29117(15) 0.67223(13) 0.27621(12) 0.00699(19) Uani 1 1 d . . . . .
N2 N 0.22602(16) 0.39850(12) -0.03304(12) 0.0077(2) Uani 1 1 d . . . . .
N3 N 0.25770(16) 0.50465(13) 0.40487(12) 0.0080(2) Uani 1 1 d . . . . .
C2 C 0.22817(18) 0.36795(14) 0.09604(14) 0.0074(2) Uani 1 1 d . . . . .
C3 C 0.26424(18) 0.55872(15) -0.01905(14) 0.0073(2) Uani 1 1 d . . . . .
C4 C 0.29937(18) 0.69754(14) 0.14706(14) 0.0070(2) Uani 1 1 d . . . . .
C1 C 0.25865(18) 0.51704(14) 0.25538(14) 0.0072(2) Uani 1 1 d . . . . .
H8A H 0.022(4) 0.879(3) 0.803(3) 0.032(5) Uiso 1 1 d . . . . .
H7A H 0.215(4) 1.258(3) 0.592(3) 0.041(6) Uiso 1 1 d . . . . .
H7B H 0.167(4) 1.246(3) 0.722(3) 0.036(6) Uiso 1 1 d . . . . .
H8B H 0.153(4) 1.025(3) 0.871(3) 0.035(6) Uiso 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'
Na Na 0.0362 0.0249 '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'
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
Na2 Na2 Na2 115.77(3) 2_576 2_676 ?
Na2 Na2 Na1 144.79(2) 2_576 1_556 ?
Na1 Na2 Na2 89.835(18) 1_556 2_676 ?
O8 Na2 Na2 119.86(3) . 2_676 ?
O8 Na2 Na2 99.57(3) . 2_576 ?
O8 Na2 Na1 45.27(2) . 1_556 ?
O8 Na2 O6 71.91(3) . . ?
O8 Na2 O4 158.58(4) . . ?
O8 Na2 O4 80.56(3) . 2_676 ?
O8 Na2 O7 88.90(4) . . ?
O8 Na2 O7 104.89(4) . 2_576 ?
O8 Na2 N1 132.27(4) . . ?
O6 Na2 Na2 136.23(3) . 2_576 ?
O6 Na2 Na2 104.85(3) . 2_676 ?
O6 Na2 Na1 43.96(2) . 1_556 ?
O4 Na2 Na2 41.80(2) . 2_676 ?
O4 Na2 Na2 137.28(3) 2_676 2_576 ?
O4 Na2 Na2 84.76(3) . 2_576 ?
O4 Na2 Na2 40.33(2) 2_676 2_676 ?
O4 Na2 Na1 52.72(2) 2_676 1_556 ?
O4 Na2 Na1 128.28(3) . 1_556 ?
O4 Na2 O6 118.94(3) . . ?
O4 Na2 O6 84.89(3) 2_676 . ?
O4 Na2 O4 82.13(3) . 2_676 ?
O4 Na2 N1 61.91(3) . . ?
O7 Na2 Na2 43.69(2) 2_576 2_576 ?
O7 Na2 Na2 85.40(3) . 2_676 ?
O7 Na2 Na2 134.54(3) 2_576 2_676 ?
O7 Na2 Na2 44.29(2) . 2_576 ?
O7 Na2 Na1 121.56(3) . 1_556 ?
O7 Na2 Na1 130.67(3) 2_576 1_556 ?
O7 Na2 O6 160.78(4) . . ?
O7 Na2 O6 95.71(3) 2_576 . ?
O7 Na2 O4 79.57(3) . . ?
O7 Na2 O4 92.78(3) 2_576 . ?
O7 Na2 O4 93.25(3) . 2_676 ?
O7 Na2 O4 174.45(4) 2_576 2_676 ?
O7 Na2 O7 87.98(4) . 2_576 ?
O7 Na2 N1 138.79(4) . . ?
O7 Na2 N1 80.27(3) 2_576 . ?
N1 Na2 Na2 75.79(3) . 2_676 ?
N1 Na2 Na2 113.70(3) . 2_576 ?
N1 Na2 Na1 95.09(3) . 1_556 ?
N1 Na2 O6 60.36(3) . . ?
N1 Na2 O4 95.30(3) . 2_676 ?
Na2 Na1 Na1 102.075(19) 1_554 2_675 ?
O8 Na1 Na2 41.80(2) 1_554 1_554 ?
O8 Na1 Na1 75.65(3) 1_554 2_675 ?
O8 Na1 O5 136.59(3) 1_554 2_665 ?
O8 Na1 O4 72.70(3) 1_554 2_675 ?
O8 Na1 N4 71.24(3) 1_554 2_675 ?
O8 Na1 C2 163.86(4) 1_554 2_665 ?
O6 Na1 Na2 47.40(2) 1_554 1_554 ?
O6 Na1 Na1 146.86(3) 1_554 2_675 ?
O6 Na1 O8 71.97(3) 1_554 1_554 ?
O6 Na1 O5 72.55(3) 1_554 2_665 ?
O6 Na1 O1 134.13(3) 1_554 2_665 ?
O6 Na1 O4 81.97(3) 1_554 2_675 ?
O6 Na1 O3 127.63(3) 1_554 2_675 ?
O6 Na1 N4 104.56(3) 1_554 2_675 ?
O6 Na1 C2 119.29(3) 1_554 2_665 ?
O5 Na1 Na2 95.09(2) 2_665 1_554 ?
O5 Na1 Na1 131.39(3) 2_665 2_675 ?
O5 Na1 O4 78.34(3) 2_665 2_675 ?
O5 Na1 N4 94.60(3) 2_665 2_675 ?
O5 Na1 C2 59.46(3) 2_665 2_665 ?
O1 Na1 Na2 144.71(3) 2_665 1_554 ?
O1 Na1 Na1 77.34(2) 2_665 2_675 ?
O1 Na1 O8 152.77(4) 2_665 1_554 ?
O1 Na1 O5 63.34(3) 2_665 2_665 ?
O1 Na1 O4 100.19(3) 2_665 2_675 ?
O1 Na1 N4 91.28(3) 2_665 2_675 ?
O1 Na1 C2 22.85(3) 2_665 2_665 ?
O2 Na1 Na2 126.20(3) . 1_554 ?
O2 Na1 Na1 106.57(3) . 2_675 ?
O2 Na1 O8 104.58(4) . 1_554 ?
O2 Na1 O6 88.41(3) . 1_554 ?
O2 Na1 O5 98.60(3) . 2_665 ?
O2 Na1 O1 86.33(3) . 2_665 ?
O2 Na1 O4 170.38(4) . 2_675 ?
O2 Na1 O3 141.46(4) . 2_675 ?
O2 Na1 O3 70.65(3) . . ?
O2 Na1 N4 163.80(3) . 2_675 ?
O2 Na1 C2 66.22(3) . 2_665 ?
O4 Na1 Na2 45.85(2) 2_675 1_554 ?
O4 Na1 Na1 81.92(2) 2_675 2_675 ?
O4 Na1 N4 24.70(3) 2_675 2_675 ?
O4 Na1 C2 118.56(3) 2_675 2_665 ?
O3 Na1 Na2 82.11(3) 2_675 1_554 ?
O3 Na1 Na2 118.64(3) . 1_554 ?
O3 Na1 Na1 36.64(2) . 2_675 ?
O3 Na1 Na1 35.97(2) 2_675 2_675 ?
O3 Na1 O8 78.27(3) . 1_554 ?
O3 Na1 O8 78.68(3) 2_675 1_554 ?
O3 Na1 O6 137.75(4) . 1_554 ?
O3 Na1 O5 104.69(3) 2_675 2_665 ?
O3 Na1 O5 144.74(3) . 2_665 ?
O3 Na1 O1 77.51(3) 2_675 2_665 ?
O3 Na1 O1 82.16(3) . 2_665 ?
O3 Na1 O4 117.02(3) . 2_675 ?
O3 Na1 O4 47.79(3) 2_675 2_675 ?
O3 Na1 O3 72.61(4) . 2_675 ?
O3 Na1 N4 93.15(3) . 2_675 ?
O3 Na1 N4 23.49(3) 2_675 2_675 ?
O3 Na1 C2 100.16(3) 2_675 2_665 ?
O3 Na1 C2 85.99(3) . 2_665 ?
N4 Na1 Na2 61.36(2) 2_675 1_554 ?
N4 Na1 Na1 57.34(2) 2_675 2_675 ?
N4 Na1 C2 113.66(3) 2_675 2_665 ?
C2 Na1 Na2 154.33(3) 2_665 1_554 ?
C2 Na1 Na1 93.85(3) 2_665 2_675 ?
Na2 O8 Na1 92.93(3) . 1_556 ?
Na2 O8 H8A 124.0(15) . . ?
Na2 O8 H8B 124.0(16) . . ?
Na1 O8 H8A 104.8(15) 1_556 . ?
Na1 O8 H8B 108.4(16) 1_556 . ?
H8A O8 H8B 100(2) . . ?
Na1 O6 Na2 88.65(3) 1_556 . ?
N3 O6 Na2 122.01(7) . . ?
N3 O6 Na1 132.28(7) . 1_556 ?
N3 O5 Na1 117.42(7) . 2_665 ?
C2 O1 Na1 106.89(7) . 2_665 ?
C3 O2 Na1 135.25(8) . . ?
Na2 O4 Na2 97.87(3) . 2_676 ?
Na2 O4 Na1 153.29(4) . 2_675 ?
Na2 O4 Na1 81.43(3) 2_676 2_675 ?
N4 O4 Na2 119.55(7) . 2_676 ?
N4 O4 Na2 116.88(7) . . ?
N4 O4 Na1 85.56(6) . 2_675 ?
Na2 O7 Na2 92.02(4) . 2_576 ?
Na2 O7 H7A 125.5(17) . . ?
Na2 O7 H7A 101.2(17) 2_576 . ?
Na2 O7 H7B 121.1(16) 2_576 . ?
Na2 O7 H7B 112.4(16) . . ?
H7A O7 H7B 105(2) . . ?
Na1 O3 Na1 107.39(4) . 2_675 ?
N4 O3 Na1 104.51(7) . 2_675 ?
N4 O3 Na1 136.42(7) . . ?
O4 N4 Na1 69.74(6) . 2_675 ?
O4 N4 C4 119.86(9) . . ?
O3 N4 Na1 52.00(6) . 2_675 ?
O3 N4 O4 120.20(10) . . ?
O3 N4 C4 119.93(10) . . ?
C4 N4 Na1 164.11(7) . 2_675 ?
C4 N1 Na2 115.98(7) . . ?
C1 N1 Na2 122.37(8) . . ?
C1 N1 C4 118.31(10) . . ?
C2 N2 C3 122.84(10) . . ?
O6 N3 C1 118.04(9) . . ?
O5 N3 O6 122.56(10) . . ?
O5 N3 C1 119.39(10) . . ?
O1 C2 Na1 50.26(6) . 2_665 ?
O1 C2 N2 121.45(10) . . ?
O1 C2 C1 122.41(10) . . ?
N2 C2 Na1 128.67(7) . 2_665 ?
N2 C2 C1 116.14(10) . . ?
C1 C2 Na1 93.00(7) . 2_665 ?
O2 C3 N2 119.85(10) . . ?
O2 C3 C4 124.46(10) . . ?
N2 C3 C4 115.69(10) . . ?
N4 C4 C3 123.27(10) . . ?
N1 C4 N4 113.53(10) . . ?
N1 C4 C3 123.18(10) . . ?
N1 C1 N3 113.57(10) . . ?
N1 C1 C2 123.70(10) . . ?
N3 C1 C2 122.72(10) . . ?
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
Na2 Na2 3.4305(9) 2_576 ?
Na2 Na2 3.7846(10) 2_676 ?
Na2 Na1 3.5095(7) 1_556 ?
Na2 O8 2.3423(10) . ?
Na2 O6 2.5839(10) . ?
Na2 O4 2.5467(10) 2_676 ?
Na2 O4 2.4726(10) . ?
Na2 O7 2.3711(10) . ?
Na2 O7 2.3971(10) 2_576 ?
Na2 N1 2.5424(11) . ?
Na1 Na1 3.9064(10) 2_675 ?
Na1 O8 2.4966(10) 1_554 ?
Na1 O6 2.4366(10) 1_554 ?
Na1 O5 2.6519(10) 2_665 ?
Na1 O1 2.4858(10) 2_665 ?
Na1 O2 2.2847(10) . ?
Na1 O4 2.8240(10) 2_675 ?
Na1 O3 2.4428(10) 2_675 ?
Na1 O3 2.4044(10) . ?
Na1 N4 3.0011(11) 2_675 ?
Na1 C2 3.0934(12) 2_665 ?
O8 H8A 0.82(2) . ?
O8 H8B 0.83(2) . ?
O6 N3 1.2425(13) . ?
O5 N3 1.2376(13) . ?
O1 C2 1.2554(14) . ?
O2 C3 1.2426(14) . ?
O4 N4 1.2576(13) . ?
O7 H7A 0.81(3) . ?
O7 H7B 0.83(2) . ?
O3 N4 1.2357(13) . ?
N4 C4 1.4237(14) . ?
N1 C4 1.3204(15) . ?
N1 C1 1.3018(15) . ?
N2 C2 1.3488(15) . ?
N2 C3 1.3677(15) . ?
N3 C1 1.4452(15) . ?
C2 C1 1.4680(16) . ?
C3 C4 1.4696(15) . ?
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
Na2 O6 N3 O5 173.17(8) . . . . ?
Na2 O6 N3 C1 -5.84(13) . . . . ?
Na2 O4 N4 Na1 164.83(6) . . . 2_675 ?
Na2 O4 N4 Na1 -77.53(5) 2_676 . . 2_675 ?
Na2 O4 N4 O3 151.74(8) . . . . ?
Na2 O4 N4 O3 -90.63(10) 2_676 . . . ?
Na2 O4 N4 C4 -29.17(12) . . . . ?
Na2 O4 N4 C4 88.46(10) 2_676 . . . ?
Na2 N1 C4 N4 24.41(12) . . . . ?
Na2 N1 C4 C3 -157.24(8) . . . . ?
Na2 N1 C1 N3 -22.80(13) . . . . ?
Na2 N1 C1 C2 157.86(8) . . . . ?
Na1 O6 N3 O5 51.11(15) 1_556 . . . ?
Na1 O6 N3 C1 -127.91(9) 1_556 . . . ?
Na1 O5 N3 O6 -145.87(9) 2_665 . . . ?
Na1 O5 N3 C1 33.13(12) 2_665 . . . ?
Na1 O1 C2 N2 116.37(10) 2_665 . . . ?
Na1 O1 C2 C1 -63.44(11) 2_665 . . . ?
Na1 O2 C3 N2 -152.87(8) . . . . ?
Na1 O2 C3 C4 26.69(17) . . . . ?
Na1 O4 N4 O3 -13.09(9) 2_675 . . . ?
Na1 O4 N4 C4 165.99(9) 2_675 . . . ?
Na1 O3 N4 Na1 136.03(12) . . . 2_675 ?
Na1 O3 N4 O4 15.65(11) 2_675 . . . ?
Na1 O3 N4 O4 151.68(8) . . . . ?
Na1 O3 N4 C4 -163.44(8) 2_675 . . . ?
Na1 O3 N4 C4 -27.41(16) . . . . ?
Na1 N4 C4 N1 126.4(2) 2_675 . . . ?
Na1 N4 C4 C3 -51.9(3) 2_675 . . . ?
Na1 C2 C1 N1 133.60(10) 2_665 . . . ?
Na1 C2 C1 N3 -45.68(10) 2_665 . . . ?
O6 N3 C1 N1 18.27(14) . . . . ?
O6 N3 C1 C2 -162.38(10) . . . . ?
O5 N3 C1 N1 -160.78(10) . . . . ?
O5 N3 C1 C2 18.57(16) . . . . ?
O1 C2 C1 N1 177.13(10) . . . . ?
O1 C2 C1 N3 -2.15(17) . . . . ?
O2 C3 C4 N4 -2.61(18) . . . . ?
O2 C3 C4 N1 179.20(10) . . . . ?
O4 N4 C4 N1 2.46(14) . . . . ?
O4 N4 C4 C3 -175.89(10) . . . . ?
O3 N4 C4 N1 -178.45(9) . . . . ?
O3 N4 C4 C3 3.19(16) . . . . ?
N2 C2 C1 N1 -2.68(16) . . . . ?
N2 C2 C1 N3 178.03(10) . . . . ?
N2 C3 C4 N4 176.97(9) . . . . ?
N2 C3 C4 N1 -1.23(16) . . . . ?
C2 N2 C3 O2 177.21(10) . . . . ?
C2 N2 C3 C4 -2.38(16) . . . . ?
C3 N2 C2 Na1 -113.74(10) . . . 2_665 ?
C3 N2 C2 O1 -175.68(10) . . . . ?
C3 N2 C2 C1 4.14(16) . . . . ?
C4 N1 C1 N3 178.69(9) . . . . ?
C4 N1 C1 C2 -0.65(16) . . . . ?
C1 N1 C4 N4 -175.73(9) . . . . ?
C1 N1 C4 C3 2.63(16) . . . . ?
