# Supplementary Information (SI) for Materials Chemistry Frontiers.
# This journal is © the Partner Organisations 2026

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_js825h
_database_code_depnum_ccdc_archive 'CCDC 2497606'
loop_
_audit_author_name
_audit_author_address
'Richard J. Staples'
;University of Idaho
India
;
_audit_update_record             
;
2025-10-24 deposited with the CCDC.	2026-01-26 downloaded from the CCDC.
;
_audit_creation_date             2025-08-27
_audit_creation_method           
;
Olex2 1.5
(compiled 2025.07.13 svn.rb7424aed for OlexSys, GUI svn.r7314)
;
_shelx_SHELXL_version_number     2018/3
loop_
_audit_author_email
''
staples@chemistry.msu.edu
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C10 H4 N14 O12'
_chemical_formula_sum            'C10 H4 N14 O12'
_chemical_formula_weight         512.27
_chemical_melting_point          ?
_chemical_oxdiff_formula         C10H4N14O12
_chemical_oxdiff_usercomment     AKY-34N
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 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 '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'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_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'

_cell_length_a                   6.76375(14)
_cell_length_b                   14.2639(3)
_cell_length_c                   9.97845(16)
_cell_angle_alpha                90
_cell_angle_beta                 94.1732(18)
_cell_angle_gamma                90
_cell_volume                     960.14(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    5890
_cell_measurement_temperature    99.99(10)
_cell_measurement_theta_max      78.5990
_cell_measurement_theta_min      3.0220
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.452
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.666
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.44.118a (Rigaku Oxford Diffraction, 2025)
Numerical absorption correction based on gaussian integration over
a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.772
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             516
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
0 -6 5 0.0606
1 9 0 0.0432
2 5 4 0.0668
-2 -4 -5 0.0778
-4 1 1 0.0413
4 -1 -1 0.0476
-3 -1 -5 0.0647
-2 2 6 0.0502
4 -5 0 0.0557
-2 0 -5 0.0656
0 -7 4 0.0512
-2 -6 4 0.0482
-4 -3 2 0.0317

_exptl_crystal_recrystallization_method 'used as received'
_exptl_crystal_size_max          0.169
_exptl_crystal_size_mid          0.138
_exptl_crystal_size_min          0.091
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
0.3715 -6.1704 4.7220 -0.1861 -0.7638 -0.6145
1.1471 8.8997 -0.4238 0.2287 0.9531 -0.1888
1.8887 5.0370 4.4642 0.1002 0.4300 -0.8987
-1.8535 -3.5858 -5.1096 -0.0593 -0.2612 0.9649
-4.3607 0.9827 0.5619 0.8825 -0.3093 0.3500
4.3485 -1.0630 -0.8641 -0.8972 0.3146 -0.3048
-2.6453 -0.8203 -4.8392 0.2416 -0.0824 0.9663
-1.5383 1.9497 6.0610 0.6437 -0.2282 -0.7299
3.6593 -4.9683 0.4434 -0.9154 -0.1712 -0.3618
-2.4491 0.2206 -5.1053 0.2477 0.0444 0.9686
-0.0371 -7.3857 3.8768 -0.2091 -0.8742 -0.4353
-1.8098 -6.4115 3.9842 0.1741 -0.9404 -0.2844
-3.9404 -3.3698 2.0001 0.6413 -0.7475 0.1682

_exptl_special_details           
;
Data was collected using a Rigaku Synergy S Diffractometer diffractometer equipped 
with an Oxford 800 low-temperature apparatus.  A suitable 
crystal was chosen and mounted on a nylon loop using Paratone oil.  Data  were 
measured based on the Pre-Experiment plugin of CrysAlisPro software.  Cell 
parameters were retrieved using CrysAlisPro software and data reduction was 
performed using the intergration software inside the CrysAlisPro which 
corrects for Lp.  The structure was solved by the direct method using the 
SHELXT program and refined by least squares method on F2, SHELXL,
 incorporated in OLEX2. 
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0273
_diffrn_reflns_av_unetI/netI     0.0249
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.975
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            8284
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.975
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         79.901
_diffrn_reflns_theta_min         5.420
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      99.99(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.975
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     43.00  68.00   0.50    0.91    --  113.25-125.00 120.00   50
  2  ω     51.00  92.00   0.50    0.91    --  113.25-125.00 -60.00   82
  3  ω     85.00 121.00   0.50    0.91    --  113.25-158.00-135.00   72
  4  ω     42.00  67.00   0.50    0.91    --  113.25-125.00-150.00   50
  5  ω     60.00  85.00   0.50    0.23    --   47.65-158.00-135.00   50
  6  ω     47.00 103.00   0.50    0.91    --  113.25 -94.00   0.00  112
  7  ω     74.00  99.00   0.50    0.91    --  113.25-118.00  17.00   50
  8  ω     77.00 102.00   0.50    0.91    --  113.25 -94.00  30.00   50
  9  ω     38.00  63.00   0.50    0.23    --   47.65-118.00  17.00   50
 10  ω     51.00 103.00   0.50    0.91    --  113.25 -94.00 120.00  104
 11  ω     76.00 101.00   0.50    0.91    --  113.25 -94.00  60.00   50
 12  ω     42.00  96.00   0.50    0.91    --  113.25 -77.00  30.00  108
 13  ω     49.00  98.00   0.50    0.91    --  113.25 -77.00  60.00   98
 14  ω     44.00  69.00   0.50    0.91    --  113.25 -61.00 150.00   50
 15  ω     42.00  67.00   0.50    0.91    --  113.25 -61.00   0.00   50
 16  ω     43.00  68.00   0.50    0.91    --  113.25 -61.00 -30.00   50
 17  ω    -17.00  26.00   0.50    0.23    --   47.65 -19.00 -90.00   86
 18  ω     42.00  69.00   0.50    0.91    --  113.25 -61.00-180.00   54
 19  ω     44.00  69.00   0.50    0.91    --  113.25 -61.00-150.00   50
 20  ω    100.00 146.00   0.50    0.91    --  113.25  15.00-150.00   92
 21  ω    152.00 177.00   0.50    0.91    --  113.25  15.00-150.00   50
 22  ω    113.00 172.00   0.50    0.91    --  113.25  61.00   0.00  118
 23  ω    103.00 137.00   0.50    0.91    --  113.25 118.00 104.00   68
 24  ω     91.00 116.00   0.50    0.91    --  113.25 158.00-102.00   50
 25  ω     -8.00  28.00   0.50    0.23    --  -47.65  19.00  60.00   72
 26  ω    -29.00  24.00   0.50    0.23    --  -47.65  19.00 -60.00  106
 27  ω    -26.00  28.00   0.50    0.23    --  -47.65  19.00-120.00  108
 28  ω    -53.00 -20.00   0.50    0.91    --  -91.75  45.00 -30.00   66
 29  ω   -162.00-123.00   0.50    0.91    --  -91.75 -77.00 -90.00   78
 30  ω   -139.00 -85.00   0.50    0.91    --  -91.75-158.00-135.00  108
 31  ω   -120.00 -54.00   0.50    0.23    --  -47.65-158.00-135.00  132
 32  ω   -133.00 -81.00   0.50    0.91    --  -91.75-118.00  17.00  104
 33  ω    -74.00 -15.00   0.50    0.23    --  -47.65 118.00 104.00  118
 34  ω    -74.00 -49.00   0.50    0.91    --  -91.75 118.00 104.00   50
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.1852540000
_diffrn_orient_matrix_UB_12      0.0516016000
_diffrn_orient_matrix_UB_13      0.0425907000
_diffrn_orient_matrix_UB_21      0.0861475000
_diffrn_orient_matrix_UB_22      0.0937980000
_diffrn_orient_matrix_UB_23      -0.0459637000
_diffrn_orient_matrix_UB_31      -0.1018405000
_diffrn_orient_matrix_UB_32      -0.0148243000
_diffrn_orient_matrix_UB_33      -0.1415019000
_diffrn_oxdiff_digest_hkl        
;
439c5c5a1ed8f686f0daf14a11c170f0586bf1
;
_diffrn_oxdiff_digest_od_ed      
;

;
_diffrn_oxdiff_measurement_exp_name JS825H.par
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_current           1
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_diffrn_source_voltage           50
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                1909
_reflns_number_total             2046
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.44.118a (Rigaku OD, 2025)'
_computing_data_collection       'CrysAlisPro 1.171.44.118a (Rigaku OD, 2025)'
_computing_data_reduction        'CrysAlisPro 1.171.44.118a (Rigaku OD, 2025)'
_computing_molecular_graphics    
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material  
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT  (Sheldrick, 2015)'
_refine_diff_density_max         0.237
_refine_diff_density_min         -0.246
_refine_diff_density_rms         0.049
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.097
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     171
_refine_ls_number_reflns         2046
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0432
_refine_ls_R_factor_gt           0.0408
_refine_ls_restrained_S_all      1.097
_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)+(0.0432P)²+0.6549P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1073
_refine_ls_wR_factor_ref         0.1089
_refine_special_details          
;
The structure was refined by Least Squares SHELXL incorporated 
in Olex2 software program. All non-hydrogen atoms were refined anisotropically. 
Hydrogen atom positions were calculated geometrically and refined using the 
riding model, except for the hydrogen atom on the non-carbon atom(s) which were found 
by difference Fourier methods and refined isotropically when data permits.
;
_olex2_refinement_description    
;
;
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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
O1 O 0.3381(2) 0.61722(11) 0.55970(14) 0.0427(4) Uani 1 1 d . . . . .
O2 O 0.3719(3) 0.76715(11) 0.52644(17) 0.0512(4) Uani 1 1 d . . . . .
O3 O 0.6960(3) 0.80261(10) 0.37171(14) 0.0493(4) Uani 1 1 d . . . . .
O4 O 0.8660(3) 0.78692(10) 0.56407(16) 0.0483(4) Uani 1 1 d . . . . .
O5 O 0.8809(2) 0.56971(10) 0.59915(13) 0.0397(3) Uani 1 1 d . . . . .
O6 O 0.6886(2) 0.64556(11) 0.72737(12) 0.0447(4) Uani 1 1 d . . . . .
N1 N 0.8163(2) 0.60307(10) 0.30799(13) 0.0282(3) Uani 1 1 d . . . . .
N2 N 0.5603(2) 0.53972(10) 0.19617(13) 0.0283(3) Uani 1 1 d . . . . .
H2 H 0.478(3) 0.5180(16) 0.137(2) 0.031(5) Uiso 1 1 d . . . . .
N3 N 0.4853(2) 0.57623(11) 0.30649(14) 0.0302(3) Uani 1 1 d . . . . .
N4 N 0.7933(2) 0.49599(10) -0.02385(13) 0.0266(3) Uani 1 1 d . . . . .
N5 N 0.4281(3) 0.68726(12) 0.53017(14) 0.0358(4) Uani 1 1 d . . . . .
N6 N 0.7459(3) 0.76214(11) 0.47558(15) 0.0370(4) Uani 1 1 d . . . . .
N7 N 0.7470(3) 0.62255(11) 0.61911(14) 0.0336(4) Uani 1 1 d . . . . .
C1 C 0.6468(3) 0.61235(12) 0.36909(16) 0.0276(4) Uani 1 1 d . . . . .
C2 C 0.7550(3) 0.55624(11) 0.19739(15) 0.0259(3) Uani 1 1 d . . . . .
C3 C 0.8811(3) 0.52677(11) 0.09287(15) 0.0260(3) Uani 1 1 d . . . . .
C4 C 0.9145(3) 0.46895(12) -0.11616(15) 0.0270(4) Uani 1 1 d . . . . .
H4 H 0.858(3) 0.4482(14) -0.201(2) 0.024(5) Uiso 1 1 d . . . . .
C5 C 0.6403(3) 0.66809(12) 0.49472(17) 0.0308(4) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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
O1 N5 1.217(2) . ?
O2 N5 1.201(2) . ?
O3 N6 1.213(2) . ?
O4 N6 1.208(2) . ?
O5 N7 1.206(2) . ?
O6 N7 1.222(2) . ?
N1 C1 1.344(2) . ?
N1 C2 1.330(2) . ?
N2 H2 0.85(2) . ?
N2 N3 1.350(2) . ?
N2 C2 1.337(2) . ?
N3 C1 1.323(2) . ?
N4 C3 1.342(2) . ?
N4 C4 1.334(2) . ?
N5 C5 1.528(3) . ?
N6 C5 1.538(2) . ?
N7 C5 1.534(2) . ?
C1 C5 1.488(2) . ?
C2 C3 1.456(2) . ?
C3 C4 1.387(3) 3_765 ?
C4 H4 0.95(2) . ?

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
C2 N1 C1 101.61(15) . . ?
N3 N2 H2 116.5(15) . . ?
C2 N2 H2 132.2(15) . . ?
C2 N2 N3 110.67(14) . . ?
C1 N3 N2 100.89(15) . . ?
C4 N4 C3 116.04(15) . . ?
O1 N5 C5 113.83(15) . . ?
O2 N5 O1 128.57(19) . . ?
O2 N5 C5 117.60(18) . . ?
O3 N6 C5 114.73(15) . . ?
O4 N6 O3 128.01(18) . . ?
O4 N6 C5 117.26(15) . . ?
O5 N7 O6 127.50(15) . . ?
O5 N7 C5 116.47(14) . . ?
O6 N7 C5 116.01(15) . . ?
N1 C1 C5 120.88(16) . . ?
N3 C1 N1 116.75(15) . . ?
N3 C1 C5 122.15(17) . . ?
N1 C2 N2 110.08(15) . . ?
N1 C2 C3 125.15(16) . . ?
N2 C2 C3 124.77(14) . . ?
N4 C3 C2 118.10(16) . . ?
N4 C3 C4 122.17(16) . 3_765 ?
C4 C3 C2 119.73(14) 3_765 . ?
N4 C4 C3 121.79(15) . 3_765 ?
N4 C4 H4 118.5(12) . . ?
C3 C4 H4 119.7(12) 3_765 . ?
N5 C5 N6 108.99(14) . . ?
N5 C5 N7 106.43(14) . . ?
N7 C5 N6 105.93(14) . . ?
C1 C5 N5 112.12(15) . . ?
C1 C5 N6 108.61(15) . . ?
C1 C5 N7 114.49(14) . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
_geom_hbond_publ_flag
N2 H2 N4 0.85(2) 2.09(2) 2.888(2) 157(2) 3_665 yes

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
O1 N5 C5 N6 -173.45(14) . . . . ?
O1 N5 C5 N7 -59.62(17) . . . . ?
O1 N5 C5 C1 66.28(19) . . . . ?
O2 N5 C5 N6 6.2(2) . . . . ?
O2 N5 C5 N7 120.01(16) . . . . ?
O2 N5 C5 C1 -114.09(17) . . . . ?
O3 N6 C5 N5 -74.39(19) . . . . ?
O3 N6 C5 N7 171.45(16) . . . . ?
O3 N6 C5 C1 48.0(2) . . . . ?
O4 N6 C5 N5 105.33(19) . . . . ?
O4 N6 C5 N7 -8.8(2) . . . . ?
O4 N6 C5 C1 -132.26(18) . . . . ?
O5 N7 C5 N5 151.36(16) . . . . ?
O5 N7 C5 N6 -92.73(18) . . . . ?
O5 N7 C5 C1 26.9(2) . . . . ?
O6 N7 C5 N5 -30.0(2) . . . . ?
O6 N7 C5 N6 85.9(2) . . . . ?
O6 N7 C5 C1 -154.47(18) . . . . ?
N1 C1 C5 N5 167.60(15) . . . . ?
N1 C1 C5 N6 47.1(2) . . . . ?
N1 C1 C5 N7 -71.0(2) . . . . ?
N1 C2 C3 N4 -167.67(15) . . . . ?
N1 C2 C3 C4 12.4(2) . . . 3_765 ?
N2 N3 C1 N1 0.76(19) . . . . ?
N2 N3 C1 C5 175.39(15) . . . . ?
N2 C2 C3 N4 12.6(2) . . . . ?
N2 C2 C3 C4 -167.33(16) . . . 3_765 ?
N3 N2 C2 N1 0.58(19) . . . . ?
N3 N2 C2 C3 -179.65(15) . . . . ?
N3 C1 C5 N5 -6.8(2) . . . . ?
N3 C1 C5 N6 -127.30(17) . . . . ?
N3 C1 C5 N7 114.56(19) . . . . ?
C1 N1 C2 N2 -0.10(18) . . . . ?
C1 N1 C2 C3 -179.87(15) . . . . ?
C2 N1 C1 N3 -0.44(19) . . . . ?
C2 N1 C1 C5 -175.15(15) . . . . ?
C2 N2 N3 C1 -0.77(18) . . . . ?
C3 N4 C4 C3 -0.5(3) . . . 3_765 ?
C4 N4 C3 C2 -179.41(14) . . . . ?
C4 N4 C3 C4 0.5(3) . . . 3_765 ?

_olex2_diffrn_ambient_temperature_device 'Oxford Cryosystems'
_olex2_exptl_crystal_mounting_method 
'The crystal was mounted on a nylon loop with paratone oil'
_olex2_submission_original_sample_id AKY-34N
_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
;
_oxdiff_exptl_absorpt_empirical_full_max 1.522
_oxdiff_exptl_absorpt_empirical_full_min 0.517
