#------------------------------------------------------------------------------
#$Date: 2025-08-23 00:57:28 +0200 (Sat 23 de Aug de 2025) $
#$Revision: 301878 $
#$URL: svn://www.crystallography.net/cod/cif/7/70/71/7707106.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_7707106
loop_
_publ_author_name
'Bykov, Maxim'
'Bykova, Elena'
'Chariton, Stella'
'Prakapenka, Vitali B.'
'Batyrev, Iskander G.'
'Mahmood, Mohammad F.'
'Goncharov, Alexander F.'
_publ_section_title
;
 Stabilization of pentazolate anions in the high-pressure compounds
 Na₂N₅ and NaN₅ and in the sodium
 pentazolate framework NaN₅·N₂.
;
_journal_issue                   21
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              7229
_journal_page_last               7237
_journal_paper_doi               10.1039/d1dt00722j
_journal_volume                  50
_journal_year                    2021
_chemical_formula_moiety         'N5 Na2'
_chemical_formula_sum            'N5 Na2'
_chemical_formula_weight         116.03
_chemical_name_systematic        'sodium pentazolate'
_space_group_crystal_system      monoclinic
_space_group_IT_number           6
_space_group_name_Hall           'P -2y'
_space_group_name_H-M_alt        'P 1 m 1'
_audit_creation_date             2021-04-01
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2021-04-05 deposited with the CCDC.	2021-04-14 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 119.6(3)
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   4.781(10)
_cell_length_b                   2.5873(7)
_cell_length_c                   4.934(12)
_cell_measurement_reflns_used    43
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      14.2010
_cell_measurement_theta_min      3.8090
_cell_volume                     53.1(2)
_computing_cell_refinement       'CrysAlisPro 1.171.40.84a (Rigaku OD, 2020)'
_computing_data_collection       'CrysAlisPro 1.171.40.84a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.40.84a (Rigaku OD, 2020)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_diffrn_ambient_pressure         50000000
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'Pilatus 1M CdTe'
_diffrn_detector_area_resol_mean 5.8
_diffrn_detector_type            'pixel detector'
_diffrn_measured_fraction_theta_full 0.336
_diffrn_measured_fraction_theta_max 0.260
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -23.50  30.00   0.50    1.00    --    0.00   0.00   0.00  107
;
_diffrn_measurement_device       'GSECARS @ APS'
_diffrn_measurement_device_type  'Pilatus 1M CdTe'
_diffrn_measurement_method       /w
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0353453000
_diffrn_orient_matrix_UB_12      -0.0086722000
_diffrn_orient_matrix_UB_13      0.0356521000
_diffrn_orient_matrix_UB_21      -0.0328957000
_diffrn_orient_matrix_UB_22      -0.0927914000
_diffrn_orient_matrix_UB_23      -0.0354791000
_diffrn_orient_matrix_UB_31      0.0519028000
_diffrn_orient_matrix_UB_32      -0.0645933000
_diffrn_orient_matrix_UB_33      0.0468223000
_diffrn_radiation_monochromator  synchrotron
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.29521
_diffrn_reflns_av_R_equivalents  0.0137
_diffrn_reflns_av_unetI/netI     0.0243
_diffrn_reflns_Laue_measured_fraction_full 0.336
_diffrn_reflns_Laue_measured_fraction_max 0.260
_diffrn_reflns_limit_h_max       4
_diffrn_reflns_limit_h_min       -5
_diffrn_reflns_limit_k_max       4
_diffrn_reflns_limit_k_min       -4
_diffrn_reflns_limit_l_max       5
_diffrn_reflns_limit_l_min       -4
_diffrn_reflns_number            135
_diffrn_reflns_point_group_measured_fraction_full 0.260
_diffrn_reflns_point_group_measured_fraction_max 0.175
_diffrn_reflns_theta_full        10.202
_diffrn_reflns_theta_max         14.591
_diffrn_reflns_theta_min         3.462
_diffrn_source                   synchrotron
_diffrn_source_type              'APS, Argonne National Laboratory'
_exptl_absorpt_coefficient_mu    0.102
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.59760
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.40.84a (Rigaku Oxford Diffraction, 2020)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            metallic
_exptl_crystal_colour_lustre     metallic
_exptl_crystal_density_diffrn    3.629
_exptl_crystal_description       irregular
_exptl_crystal_F_000             57
_exptl_crystal_size_max          0.003
_exptl_crystal_size_mid          0.003
_exptl_crystal_size_min          0.003
_refine_diff_density_max         0.616
_refine_diff_density_min         -0.402
_refine_diff_density_rms         0.147
_refine_ls_abs_structure_details
;
 Flack x determined using 20 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -1.9(10)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.109
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     23
_refine_ls_number_reflns         115
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.097
_refine_ls_R_factor_all          0.0694
_refine_ls_R_factor_gt           0.0566
_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)+(0.1080P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1345
_refine_ls_wR_factor_ref         0.1397
_reflns_Friedel_coverage         0.337
_reflns_Friedel_fraction_full    0.181
_reflns_Friedel_fraction_max     0.089
_reflns_number_gt                93
_reflns_number_total             115
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1dt00722j2.cif
_cod_data_source_block           Na2N5_50GPa
_cod_depositor_comments
'Adding full bibliography for 7707104--7707106.cif.'
_cod_database_code               7707106
_shelx_shelxl_version_number     2014/7
_chemical_oxdiff_formula         'Na N3'
_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   1.000
_shelx_estimated_absorpt_t_min   1.000
_reflns_odcompleteness_completeness 36.84
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     10.63
_olex2_refinement_description
;
1. Uiso/Uaniso restraints and constraints
Uanis(Na2) = Uanis(Na1)
Uanis(N1) = Uanis(N2) = Uanis(N5) = Uanis(N4) = Uanis(N3)
;
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
- Detector area scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 2.075
_oxdiff_exptl_absorpt_empirical_full_min 0.684
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 -0.8424(17) 0.0000 -0.1434(16) 0.017(3) Uani 1 2 d S T P . .
Na1 Na -0.1850(19) 0.0000 -0.8344(18) 0.017(3) Uani 1 2 d S T P . .
N5 N -0.278(5) -0.5000 -0.242(3) 0.026(6) Uani 1 2 d S T P . .
N2 N -0.530(5) -0.5000 -0.742(4) 0.026(6) Uani 1 2 d S T P . .
N3 N -0.740(4) -0.5000 -0.646(4) 0.026(6) Uani 1 2 d S T P . .
N4 N -0.587(5) -0.5000 -0.335(4) 0.026(6) Uani 1 2 d S T P . .
N1 N -0.243(5) -0.5000 -0.483(4) 0.026(6) Uani 1 2 d S T P . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
N N -0.0011 0.0005 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.0019 0.0037 '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 180.0 1_565 1_545 ?
Na2 Na2 N3 119.8(3) 1_545 1_566 ?
Na2 Na2 N3 119.8(3) 1_565 1_556 ?
Na2 Na2 N3 60.2(3) 1_565 1_566 ?
Na2 Na2 N3 60.2(3) 1_545 1_556 ?
N5 Na2 Na2 124.4(4) 1_455 1_565 ?
N5 Na2 Na2 55.6(4) 1_455 1_545 ?
N5 Na2 Na2 55.6(4) 1_465 1_565 ?
N5 Na2 Na2 124.4(4) 1_465 1_545 ?
N5 Na2 N5 68.8(8) 1_455 1_465 ?
N5 Na2 N3 102.1(9) 1_465 1_556 ?
N5 Na2 N3 102.1(9) 1_455 1_566 ?
N5 Na2 N3 69.4(6) 1_465 1_566 ?
N5 Na2 N3 69.4(6) 1_455 1_556 ?
N2 Na2 Na2 54.3(2) 1_566 1_565 ?
N2 Na2 Na2 125.7(2) 1_556 1_565 ?
N2 Na2 Na2 125.7(2) 1_566 1_545 ?
N2 Na2 Na2 54.3(2) 1_556 1_545 ?
N2 Na2 N5 90.1(8) 1_556 1_455 ?
N2 Na2 N5 131.4(11) 1_556 1_465 ?
N2 Na2 N5 131.4(11) 1_566 1_455 ?
N2 Na2 N5 90.1(8) 1_566 1_465 ?
N2 Na2 N2 71.5(5) 1_566 1_556 ?
N2 Na2 N3 73.5(6) 1_566 1_556 ?
N2 Na2 N3 73.5(6) 1_556 1_566 ?
N2 Na2 N3 30.2(9) 1_556 1_556 ?
N2 Na2 N3 30.2(9) 1_566 1_566 ?
N2 Na2 N4 77.0(9) 1_566 1_565 ?
N2 Na2 N4 116.0(8) 1_556 1_565 ?
N2 Na2 N4 116.0(8) 1_566 . ?
N2 Na2 N4 77.0(9) 1_556 . ?
N2 Na2 N1 163.7(14) 1_566 1_455 ?
N2 Na2 N1 106.5(4) 1_566 1_465 ?
N2 Na2 N1 106.5(4) 1_556 1_455 ?
N2 Na2 N1 163.7(14) 1_556 1_465 ?
N3 Na2 N3 59.7(6) 1_566 1_556 ?
N4 Na2 Na2 124.6(5) . 1_565 ?
N4 Na2 Na2 55.4(5) 1_565 1_565 ?
N4 Na2 Na2 124.6(5) 1_565 1_545 ?
N4 Na2 Na2 55.4(5) . 1_545 ?
N4 Na2 N5 102.0(7) . 1_455 ?
N4 Na2 N5 102.0(7) 1_565 1_465 ?
N4 Na2 N5 148.1(6) 1_565 1_455 ?
N4 Na2 N5 148.1(6) . 1_465 ?
N4 Na2 N3 102.6(6) 1_565 1_566 ?
N4 Na2 N3 141.6(5) 1_565 1_556 ?
N4 Na2 N3 102.6(6) . 1_556 ?
N4 Na2 N3 141.6(5) . 1_566 ?
N4 Na2 N4 69.2(10) 1_565 . ?
N1 Na2 Na2 54.6(2) 1_465 1_565 ?
N1 Na2 Na2 125.4(2) 1_455 1_565 ?
N1 Na2 Na2 125.4(2) 1_465 1_545 ?
N1 Na2 Na2 54.6(2) 1_455 1_545 ?
N1 Na2 N5 79.3(6) 1_455 1_465 ?
N1 Na2 N5 79.3(6) 1_465 1_455 ?
N1 Na2 N5 32.8(10) 1_455 1_455 ?
N1 Na2 N5 32.8(10) 1_465 1_465 ?
N1 Na2 N3 96.5(7) 1_455 1_556 ?
N1 Na2 N3 96.5(7) 1_465 1_566 ?
N1 Na2 N3 133.6(10) 1_465 1_556 ?
N1 Na2 N3 133.6(10) 1_455 1_566 ?
N1 Na2 N4 78.3(9) 1_465 1_565 ?
N1 Na2 N4 78.3(9) 1_455 . ?
N1 Na2 N4 117.0(8) 1_465 . ?
N1 Na2 N4 117.0(8) 1_455 1_565 ?
N1 Na2 N1 70.8(4) 1_455 1_465 ?
Na1 Na1 Na1 180.0 1_565 1_545 ?
Na1 Na1 N4 119.80(18) 1_565 1_554 ?
Na1 Na1 N4 60.20(18) 1_545 1_554 ?
Na1 Na1 N4 119.80(18) 1_545 1_564 ?
Na1 Na1 N4 60.20(18) 1_565 1_564 ?
N5 Na1 Na1 125.2(3) 1_554 1_565 ?
N5 Na1 Na1 125.2(3) 1_564 1_545 ?
N5 Na1 Na1 54.8(3) 1_564 1_565 ?
N5 Na1 Na1 54.8(3) 1_554 1_545 ?
N5 Na1 N5 70.4(7) 1_554 1_564 ?
N5 Na1 N2 90.5(8) 1_564 1_565 ?
N5 Na1 N2 130.9(6) 1_554 1_565 ?
N5 Na1 N2 90.5(8) 1_554 . ?
N5 Na1 N2 130.9(6) 1_564 . ?
N5 Na1 N3 76.7(7) 1_554 1_655 ?
N5 Na1 N3 115.4(11) 1_564 1_655 ?
N5 Na1 N3 76.7(7) 1_564 1_665 ?
N5 Na1 N3 115.4(11) 1_554 1_665 ?
N5 Na1 N4 73.1(5) 1_554 1_564 ?
N5 Na1 N4 73.1(5) 1_564 1_554 ?
N5 Na1 N4 30.3(9) 1_554 1_554 ?
N5 Na1 N4 30.3(9) 1_564 1_564 ?
N5 Na1 N1 108.0(6) 1_554 . ?
N5 Na1 N1 108.0(6) 1_564 1_565 ?
N5 Na1 N1 164.0(7) 1_564 . ?
N5 Na1 N1 164.0(7) 1_554 1_565 ?
N2 Na1 Na1 56.0(6) . 1_545 ?
N2 Na1 Na1 56.0(6) 1_565 1_565 ?
N2 Na1 Na1 124.0(6) . 1_565 ?
N2 Na1 Na1 124.0(6) 1_565 1_545 ?
N2 Na1 N2 68.1(11) . 1_565 ?
N2 Na1 N4 69.1(8) . 1_554 ?
N2 Na1 N4 101.5(7) 1_565 1_554 ?
N2 Na1 N4 101.5(7) . 1_564 ?
N2 Na1 N4 69.1(8) 1_565 1_564 ?
N3 Na1 Na1 124.9(3) 1_655 1_565 ?
N3 Na1 Na1 55.1(3) 1_655 1_545 ?
N3 Na1 Na1 55.1(3) 1_665 1_565 ?
N3 Na1 Na1 124.9(3) 1_665 1_545 ?
N3 Na1 N2 102.5(6) 1_665 1_565 ?
N3 Na1 N2 149.0(8) 1_655 1_565 ?
N3 Na1 N2 149.0(8) 1_665 . ?
N3 Na1 N2 102.5(6) 1_655 . ?
N3 Na1 N3 69.8(7) 1_665 1_655 ?
N3 Na1 N4 141.2(11) 1_655 1_564 ?
N3 Na1 N4 102.2(6) 1_655 1_554 ?
N3 Na1 N4 102.2(6) 1_665 1_564 ?
N3 Na1 N4 141.2(11) 1_665 1_554 ?
N3 Na1 N1 78.8(10) 1_655 . ?
N3 Na1 N1 78.8(10) 1_665 1_565 ?
N3 Na1 N1 117.0(7) 1_655 1_565 ?
N3 Na1 N1 117.0(7) 1_665 . ?
N4 Na1 N4 59.6(4) 1_554 1_564 ?
N1 Na1 Na1 55.5(5) 1_565 1_565 ?
N1 Na1 Na1 124.5(5) . 1_565 ?
N1 Na1 Na1 124.5(5) 1_565 1_545 ?
N1 Na1 Na1 55.5(5) . 1_545 ?
N1 Na1 N2 78.6(10) . 1_565 ?
N1 Na1 N2 33.7(5) 1_565 1_565 ?
N1 Na1 N2 78.6(10) 1_565 . ?
N1 Na1 N2 33.7(5) . . ?
N1 Na1 N4 97.4(7) 1_565 1_564 ?
N1 Na1 N4 133.7(8) . 1_564 ?
N1 Na1 N4 133.7(8) 1_565 1_554 ?
N1 Na1 N4 97.4(7) . 1_554 ?
N1 Na1 N1 68.9(9) 1_565 . ?
Na2 N5 Na2 68.8(8) 1_655 1_645 ?
Na1 N5 Na2 112.2(6) 1_556 1_645 ?
Na1 N5 Na2 112.2(6) 1_546 1_655 ?
Na1 N5 Na2 74.1(5) 1_546 1_645 ?
Na1 N5 Na2 74.1(5) 1_556 1_655 ?
Na1 N5 Na1 70.4(7) 1_556 1_546 ?
N4 N5 Na2 145.3(3) . 1_645 ?
N4 N5 Na2 145.3(3) . 1_655 ?
N4 N5 Na1 90.1(15) . 1_556 ?
N4 N5 Na1 90.1(15) . 1_546 ?
N1 N5 Na2 71.2(14) . 1_655 ?
N1 N5 Na2 71.2(14) . 1_645 ?
N1 N5 Na1 140.8(9) . 1_556 ?
N1 N5 Na1 140.8(9) . 1_546 ?
N1 N5 N4 108.5(16) . . ?
Na2 N2 Na2 71.5(5) 1_544 1_554 ?
Na2 N2 Na1 74.3(7) 1_544 1_545 ?
Na2 N2 Na1 74.3(7) 1_554 . ?
Na2 N2 Na1 112.5(13) 1_544 . ?
Na2 N2 Na1 112.5(13) 1_554 1_545 ?
Na1 N2 Na1 68.1(11) 1_545 . ?
N3 N2 Na2 91.4(11) . 1_554 ?
N3 N2 Na2 91.4(11) . 1_544 ?
N3 N2 Na1 145.4(7) . 1_545 ?
N3 N2 Na1 145.4(7) . . ?
N3 N2 N1 105(2) . . ?
N1 N2 Na2 140.9(10) . 1_554 ?
N1 N2 Na2 140.9(10) . 1_544 ?
N1 N2 Na1 72.1(15) . . ?
N1 N2 Na1 72.1(15) . 1_545 ?
Na2 N3 Na2 59.7(6) 1_544 1_554 ?
Na2 N3 Na2 121.8(3) 1_544 1_545 ?
Na2 N3 Na2 161.9(9) 1_554 1_545 ?
Na2 N3 Na2 121.8(3) 1_554 . ?
Na2 N3 Na2 50.3(5) . 1_545 ?
Na2 N3 Na2 161.9(9) 1_544 . ?
Na1 N3 Na2 68.0(5) 1_445 1_544 ?
Na1 N3 Na2 94.7(11) 1_445 . ?
Na1 N3 Na2 66.1(8) 1_445 1_545 ?
Na1 N3 Na2 101.2(6) 1_455 1_544 ?
Na1 N3 Na2 66.1(8) 1_455 . ?
Na1 N3 Na2 101.2(6) 1_445 1_554 ?
Na1 N3 Na2 94.7(11) 1_455 1_545 ?
Na1 N3 Na2 68.0(5) 1_455 1_554 ?
Na1 N3 Na1 69.8(7) 1_445 1_455 ?
N2 N3 Na2 58.4(11) . 1_554 ?
N2 N3 Na2 139.3(8) . 1_545 ?
N2 N3 Na2 58.4(11) . 1_544 ?
N2 N3 Na2 139.3(8) . . ?
N2 N3 Na1 125.9(13) . 1_445 ?
N2 N3 Na1 125.9(13) . 1_455 ?
N2 N3 N4 109.6(18) . . ?
N4 N3 Na2 145.8(9) . 1_544 ?
N4 N3 Na2 145.8(9) . 1_554 ?
N4 N3 Na2 44.0(13) . . ?
N4 N3 Na2 44.0(13) . 1_545 ?
N4 N3 Na1 110.1(19) . 1_455 ?
N4 N3 Na1 110.1(19) . 1_445 ?
Na2 N4 Na2 69.2(9) . 1_545 ?
Na2 N4 Na1 66.8(5) . 1_455 ?
Na2 N4 Na1 66.8(5) 1_545 1_445 ?
Na2 N4 Na1 67.7(6) 1_545 1_546 ?
Na2 N4 Na1 67.7(6) . 1_556 ?
Na2 N4 Na1 100.7(9) 1_545 1_556 ?
Na2 N4 Na1 95.6(8) 1_545 1_455 ?
Na2 N4 Na1 100.7(9) . 1_546 ?
Na2 N4 Na1 95.6(8) . 1_445 ?
Na1 N4 Na1 59.6(4) 1_556 1_546 ?
Na1 N4 Na1 51.2(3) 1_445 1_455 ?
Na1 N4 Na1 162.4(13) 1_546 1_455 ?
Na1 N4 Na1 162.4(13) 1_556 1_445 ?
Na1 N4 Na1 121.6(4) 1_556 1_455 ?
Na1 N4 Na1 121.6(4) 1_546 1_445 ?
N5 N4 Na2 126.7(10) . 1_545 ?
N5 N4 Na2 126.7(10) . . ?
N5 N4 Na1 137.6(15) . 1_445 ?
N5 N4 Na1 59.6(9) . 1_556 ?
N5 N4 Na1 59.6(9) . 1_546 ?
N5 N4 Na1 137.6(15) . 1_455 ?
N5 N4 N3 106(3) . . ?
N3 N4 Na2 112.0(14) . 1_545 ?
N3 N4 Na2 112.0(14) . . ?
N3 N4 Na1 145.0(12) . 1_546 ?
N3 N4 Na1 145.0(12) . 1_556 ?
N3 N4 Na1 45.1(12) . 1_445 ?
N3 N4 Na1 45.1(12) . 1_455 ?
Na2 N1 Na2 70.8(4) 1_655 1_645 ?
Na2 N1 Na1 82.0(7) 1_645 1_545 ?
Na2 N1 Na1 121.1(13) 1_655 1_545 ?
Na2 N1 Na1 82.0(7) 1_655 . ?
Na2 N1 Na1 121.1(13) 1_645 . ?
Na1 N1 Na1 68.9(9) 1_545 . ?
N5 N1 Na2 76.0(10) . 1_655 ?
N5 N1 Na2 76.0(10) . 1_645 ?
N5 N1 Na1 145.5(4) . 1_545 ?
N5 N1 Na1 145.5(4) . . ?
N5 N1 N2 110(3) . . ?
N2 N1 Na2 144.5(3) . 1_645 ?
N2 N1 Na2 144.5(3) . 1_655 ?
N2 N1 Na1 74.2(15) . . ?
N2 N1 Na1 74.2(15) . 1_545 ?
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 N5 2.29(2) 1_455 ?
Na2 N5 2.29(2) 1_465 ?
Na2 N2 2.215(13) 1_556 ?
Na2 N2 2.215(13) 1_566 ?
Na2 N4 2.28(3) 1_565 ?
Na2 N4 2.28(3) . ?
Na2 N1 2.234(12) 1_465 ?
Na2 N1 2.234(12) 1_455 ?
Na1 N5 2.245(19) 1_554 ?
Na1 N5 2.245(19) 1_564 ?
Na1 N2 2.31(3) 1_565 ?
Na1 N2 2.31(3) . ?
Na1 N3 2.261(19) 1_655 ?
Na1 N3 2.261(19) 1_665 ?
Na1 N1 2.29(3) . ?
Na1 N1 2.29(3) 1_565 ?
N5 Na2 2.29(2) 1_645 ?
N5 Na2 2.29(2) 1_655 ?
N5 Na1 2.245(19) 1_546 ?
N5 Na1 2.245(19) 1_556 ?
N5 N4 1.31(4) . ?
N5 N1 1.28(4) . ?
N2 Na2 2.215(13) 1_544 ?
N2 Na2 2.215(13) 1_554 ?
N2 Na1 2.31(3) 1_545 ?
N2 N3 1.31(4) . ?
N2 N1 1.334(17) . ?
N3 Na1 2.261(19) 1_455 ?
N3 Na1 2.261(19) 1_445 ?
N3 N4 1.33(2) . ?
N4 Na2 2.28(3) 1_545 ?
N1 Na2 2.234(12) 1_655 ?
N1 Na2 2.234(12) 1_645 ?
N1 Na1 2.29(3) 1_545 ?
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 N5 N4 Na2 -52(4) 1_655 . . . ?
Na2 N5 N4 Na2 -141.7(19) 1_655 . . 1_545 ?
Na2 N5 N4 Na2 141.7(19) 1_645 . . . ?
Na2 N5 N4 Na2 52(4) 1_645 . . 1_545 ?
Na2 N5 N4 Na1 123.2(16) 1_655 . . 1_445 ?
Na2 N5 N4 Na1 -132(3) 1_655 . . 1_546 ?
Na2 N5 N4 Na1 61(2) 1_645 . . 1_546 ?
Na2 N5 N4 Na1 -123.2(16) 1_645 . . 1_455 ?
Na2 N5 N4 Na1 -44(4) 1_645 . . 1_445 ?
Na2 N5 N4 Na1 -61(2) 1_655 . . 1_556 ?
Na2 N5 N4 Na1 132(3) 1_645 . . 1_556 ?
Na2 N5 N4 Na1 44(4) 1_655 . . 1_455 ?
Na2 N5 N4 N3 83(3) 1_655 . . . ?
Na2 N5 N4 N3 -83(3) 1_645 . . . ?
Na2 N5 N1 Na2 -73.3(4) 1_645 . . 1_655 ?
Na2 N5 N1 Na2 73.3(4) 1_655 . . 1_645 ?
Na2 N5 N1 Na1 125(3) 1_655 . . 1_545 ?
Na2 N5 N1 Na1 -52(3) 1_655 . . . ?
Na2 N5 N1 Na1 52(3) 1_645 . . 1_545 ?
Na2 N5 N1 Na1 -125(3) 1_645 . . . ?
Na2 N5 N1 N2 -143.4(2) 1_655 . . . ?
Na2 N5 N1 N2 143.4(2) 1_645 . . . ?
Na2 N2 N3 Na2 -175.0(8) 1_544 . . . ?
Na2 N2 N3 Na2 -71.5(5) 1_544 . . 1_554 ?
Na2 N2 N3 Na2 71.5(5) 1_554 . . 1_544 ?
Na2 N2 N3 Na2 -103.5(12) 1_554 . . . ?
Na2 N2 N3 Na2 103.5(12) 1_544 . . 1_545 ?
Na2 N2 N3 Na2 175.0(8) 1_554 . . 1_545 ?
Na2 N2 N3 Na1 9.2(9) 1_544 . . 1_445 ?
Na2 N2 N3 Na1 -80.7(7) 1_544 . . 1_455 ?
Na2 N2 N3 Na1 80.7(7) 1_554 . . 1_445 ?
Na2 N2 N3 Na1 -9.2(9) 1_554 . . 1_455 ?
Na2 N2 N3 N4 -144.3(3) 1_554 . . . ?
Na2 N2 N3 N4 144.3(3) 1_544 . . . ?
Na2 N2 N1 Na2 154(2) 1_544 . . 1_655 ?
Na2 N2 N1 Na2 -154(2) 1_554 . . 1_645 ?
Na2 N2 N1 Na2 -18(7) 1_544 . . 1_645 ?
Na2 N2 N1 Na2 18(7) 1_554 . . 1_655 ?
Na2 N2 N1 Na1 -104(3) 1_554 . . 1_545 ?
Na2 N2 N1 Na1 32(3) 1_544 . . 1_545 ?
Na2 N2 N1 Na1 104(3) 1_544 . . . ?
Na2 N2 N1 Na1 -32(3) 1_554 . . . ?
Na2 N2 N1 N5 -112(3) 1_544 . . . ?
Na2 N2 N1 N5 112(3) 1_554 . . . ?
Na2 N3 N4 Na2 80(4) 1_554 . . . ?
Na2 N3 N4 Na2 75.5(17) . . . 1_545 ?
Na2 N3 N4 Na2 156(2) 1_554 . . 1_545 ?
Na2 N3 N4 Na2 -75.5(17) 1_545 . . . ?
Na2 N3 N4 Na2 -80(4) 1_544 . . 1_545 ?
Na2 N3 N4 Na2 -156(2) 1_544 . . . ?
Na2 N3 N4 Na1 -82(2) . . . 1_556 ?
Na2 N3 N4 Na1 75.3(7) . . . 1_445 ?
Na2 N3 N4 Na1 -75.3(7) 1_545 . . 1_455 ?
Na2 N3 N4 Na1 -158(4) 1_545 . . 1_556 ?
Na2 N3 N4 Na1 -155(4) 1_544 . . 1_455 ?
Na2 N3 N4 Na1 2(6) 1_544 . . 1_546 ?
Na2 N3 N4 Na1 -2(6) 1_554 . . 1_556 ?
Na2 N3 N4 Na1 -122.3(14) 1_554 . . 1_546 ?
Na2 N3 N4 Na1 -0.2(15) 1_545 . . 1_445 ?
Na2 N3 N4 Na1 158(4) . . . 1_546 ?
Na2 N3 N4 Na1 0.2(15) . . . 1_455 ?
Na2 N3 N4 Na1 82(2) 1_545 . . 1_546 ?
Na2 N3 N4 Na1 122.3(14) 1_544 . . 1_556 ?
Na2 N3 N4 Na1 -80(2) 1_544 . . 1_445 ?
Na2 N3 N4 Na1 155(4) 1_554 . . 1_445 ?
Na2 N3 N4 Na1 80(2) 1_554 . . 1_455 ?
Na2 N3 N4 N5 62(3) 1_544 . . . ?
Na2 N3 N4 N5 142.2(8) 1_545 . . . ?
Na2 N3 N4 N5 -62(3) 1_554 . . . ?
Na2 N3 N4 N5 -142.2(8) . . . . ?
Na1 N5 N4 Na2 -9.9(14) 1_546 . . 1_545 ?
Na1 N5 N4 Na2 80.3(11) 1_546 . . . ?
Na1 N5 N4 Na2 -80.3(11) 1_556 . . 1_545 ?
Na1 N5 N4 Na2 9.9(14) 1_556 . . . ?
Na1 N5 N4 Na1 175.3(12) 1_546 . . 1_455 ?
Na1 N5 N4 Na1 -70.4(7) 1_556 . . 1_546 ?
Na1 N5 N4 Na1 -105.0(15) 1_546 . . 1_445 ?
Na1 N5 N4 Na1 70.4(7) 1_546 . . 1_556 ?
Na1 N5 N4 Na1 -175.3(12) 1_556 . . 1_445 ?
Na1 N5 N4 Na1 105.0(15) 1_556 . . 1_455 ?
Na1 N5 N4 N3 144.8(3) 1_556 . . . ?
Na1 N5 N4 N3 -144.8(3) 1_546 . . . ?
Na1 N5 N1 Na2 -102(2) 1_546 . . 1_655 ?
Na1 N5 N1 Na2 102(2) 1_556 . . 1_645 ?
Na1 N5 N1 Na2 -29.0(19) 1_546 . . 1_645 ?
Na1 N5 N1 Na2 29.0(19) 1_556 . . 1_655 ?
Na1 N5 N1 Na1 23(4) 1_546 . . 1_545 ?
Na1 N5 N1 Na1 -154.3(11) 1_546 . . . ?
Na1 N5 N1 Na1 -23(4) 1_556 . . . ?
Na1 N5 N1 Na1 154.3(11) 1_556 . . 1_545 ?
Na1 N5 N1 N2 -114.3(19) 1_556 . . . ?
Na1 N5 N1 N2 114.3(19) 1_546 . . . ?
Na1 N2 N3 Na2 40(3) 1_545 . . 1_545 ?
Na1 N2 N3 Na2 63.8(18) . . . 1_554 ?
Na1 N2 N3 Na2 135(2) . . . 1_544 ?
Na1 N2 N3 Na2 -121.2(11) . . . 1_545 ?
Na1 N2 N3 Na2 -63.8(18) 1_545 . . 1_544 ?
Na1 N2 N3 Na2 121.2(11) 1_545 . . . ?
Na1 N2 N3 Na2 -135(2) 1_545 . . 1_554 ?
Na1 N2 N3 Na2 -40(3) . . . . ?
Na1 N2 N3 Na1 -144.5(13) 1_545 . . 1_455 ?
Na1 N2 N3 Na1 144.5(13) . . . 1_445 ?
Na1 N2 N3 Na1 -55(3) 1_545 . . 1_445 ?
Na1 N2 N3 Na1 55(3) . . . 1_455 ?
Na1 N2 N3 N4 -80.4(19) . . . . ?
Na1 N2 N3 N4 80(2) 1_545 . . . ?
Na1 N2 N1 Na2 122(4) 1_545 . . 1_655 ?
Na1 N2 N1 Na2 -122(4) . . . 1_645 ?
Na1 N2 N1 Na2 50(4) . . . 1_655 ?
Na1 N2 N1 Na2 -50(4) 1_545 . . 1_645 ?
Na1 N2 N1 Na1 -72.1(9) . . . 1_545 ?
Na1 N2 N1 Na1 72.1(9) 1_545 . . . ?
Na1 N2 N1 N5 -144.0(5) 1_545 . . . ?
Na1 N2 N1 N5 144.0(5) . . . . ?
Na1 N3 N4 Na2 75.3(7) 1_455 . . 1_545 ?
Na1 N3 N4 Na2 -0.2(15) 1_455 . . . ?
Na1 N3 N4 Na2 -75.3(7) 1_445 . . . ?
Na1 N3 N4 Na2 0.2(15) 1_445 . . 1_545 ?
Na1 N3 N4 Na1 157(2) 1_455 . . 1_546 ?
Na1 N3 N4 Na1 -75.1(17) 1_445 . . 1_455 ?
Na1 N3 N4 Na1 82(4) 1_445 . . 1_546 ?
Na1 N3 N4 Na1 75.1(17) 1_455 . . 1_445 ?
Na1 N3 N4 Na1 -82(4) 1_455 . . 1_556 ?
Na1 N3 N4 Na1 -157(2) 1_445 . . 1_556 ?
Na1 N3 N4 N5 142.5(8) 1_445 . . . ?
Na1 N3 N4 N5 -142.5(8) 1_455 . . . ?
N2 N3 N4 Na2 -142.2(8) . . . 1_545 ?
N2 N3 N4 Na2 142.2(8) . . . . ?
N2 N3 N4 Na1 60(3) . . . 1_556 ?
N2 N3 N4 Na1 -142.5(8) . . . 1_445 ?
N2 N3 N4 Na1 -60(3) . . . 1_546 ?
N2 N3 N4 Na1 142.5(8) . . . 1_455 ?
N2 N3 N4 N5 0.000(4) . . . . ?
N3 N2 N1 Na2 -94(4) . . . 1_655 ?
N3 N2 N1 Na2 94(4) . . . 1_645 ?
N3 N2 N1 Na1 144.0(5) . . . 1_545 ?
N3 N2 N1 Na1 -144.0(5) . . . . ?
N3 N2 N1 N5 0.000(4) . . . . ?
N4 N5 N1 Na2 143.4(2) . . . 1_655 ?
N4 N5 N1 Na2 -143.4(2) . . . 1_645 ?
N4 N5 N1 Na1 -91(3) . . . 1_545 ?
N4 N5 N1 Na1 91(3) . . . . ?
N4 N5 N1 N2 0.000(5) . . . . ?
N1 N5 N4 Na2 -134.9(12) . . . . ?
N1 N5 N4 Na2 134.9(12) . . . 1_545 ?
N1 N5 N4 Na1 39.8(13) . . . 1_445 ?
N1 N5 N4 Na1 -144.8(3) . . . 1_556 ?
N1 N5 N4 Na1 144.8(3) . . . 1_546 ?
N1 N5 N4 Na1 -39.8(13) . . . 1_455 ?
N1 N5 N4 N3 0.000(4) . . . . ?
N1 N2 N3 Na2 40.7(10) . . . . ?
N1 N2 N3 Na2 144.3(3) . . . 1_554 ?
N1 N2 N3 Na2 -40.7(10) . . . 1_545 ?
N1 N2 N3 Na2 -144.3(3) . . . 1_544 ?
N1 N2 N3 Na1 135.1(8) . . . 1_455 ?
N1 N2 N3 Na1 -135.1(8) . . . 1_445 ?
N1 N2 N3 N4 0.000(5) . . . . ?
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 168343983
