# Supplementary Information (SI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2025

####################################################################### 
# 
# 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_bj-920
_database_code_depnum_ccdc_archive 'CCDC 2493751'
loop_
_audit_author_name
_audit_author_address
'Jian Wang'
;Wichita State University
United States of America
;
_audit_update_record             
;
2025-10-07 deposited with the CCDC.	2025-11-14 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT919_bj-920              
;
PROBLEM: Reflection # Likely Affected by the Beamstop ...          1 Check
RESPONSE: This type B error likely originates from the beamstop, which does not affect final data.
;
# Added during the CSD deposition process: Tuesday 07 October 2025 02:55 PM
# end Validation Reply Form

_audit_creation_date             2025-06-21
_audit_creation_method           
;
Olex2 1.5-ac6-018
(compiled 2024.02.14 svn.r2f8d729c for Rigaku Oxford Diffraction, GUI svn.r6920)
;
_shelx_SHELXL_version_number     2019/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C3 H4 K N3 O4'
_chemical_formula_sum            'C3 H4 K N3 O4'
_chemical_formula_weight         185.19
_chemical_melting_point          ?
_chemical_oxdiff_formula         KCNOH
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'
K K 0.2009 0.2494 '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'

_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           12
_space_group_name_H-M_alt        'C 1 2/m 1'
_space_group_name_Hall           '-C 2y'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x, -y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z'

_cell_length_a                   11.0268(5)
_cell_length_b                   16.3686(5)
_cell_length_c                   7.1958(4)
_cell_angle_alpha                90
_cell_angle_beta                 103.765(5)
_cell_angle_gamma                90
_cell_volume                     1261.49(10)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    4690
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      30.5110
_cell_measurement_theta_min      2.2760
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.809
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.95125
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.43.143a (Rigaku Oxford Diffraction, 2024)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            Translucent
_exptl_crystal_density_diffrn    1.950
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             752
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0376
_diffrn_reflns_av_unetI/netI     0.0263
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.961
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            17874
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.961
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.625
_diffrn_reflns_theta_min         2.272
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.961
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     70.00 101.00   0.50   19.00    --   20.00  54.00-147.89   62
  2  ω    -72.00  67.00   0.50   19.00    --   20.00  54.00  14.82  278
  3  ω     75.00 109.00   0.50   19.00    --   20.00  54.00  14.82   68
  4  ω    -74.00 -36.00   0.50   19.00    --   20.00  54.00 -35.36   76
  5  ω      3.00  30.00   0.50   19.00    --   20.00  54.00 -35.36   54
  6  ω     31.00 110.00   0.50   19.00    --   20.00  54.00 -35.36  158
  7  ω    -66.00 -41.00   0.50   19.00    --   20.00  54.00 -29.26   50
  8  ω    -33.00   2.00   0.50   19.00    --   20.00  54.00 -29.26   70
  9  ω     85.00 110.00   0.50   19.00    --   20.00  54.00 -29.26   50
 10  ω    -71.00 106.00   0.50   19.00    --   20.00  54.00 150.00  354
 11  ω    -71.00 -41.00   0.50   19.00    --   20.00  54.00 120.00   60
 12  ω    -26.00  29.00   0.50   19.00    --   20.00  54.00 120.00  110
 13  ω     47.00 109.00   0.50   19.00    --   20.00  54.00 120.00  124
 14  ω    -55.00 -22.00   0.50   19.00    --   20.00  54.00-120.00   66
 15  ω    -10.00 110.00   0.50   19.00    --   20.00  54.00-120.00  240
 16  ω    -64.00 -23.00   0.50   19.00    --   20.00  54.00-180.00   82
 17  ω     -4.00  38.00   0.50   19.00    --   20.00  54.00-180.00   84
 18  ω     67.00 107.00   0.50   19.00    --   20.00  54.00-180.00   80
 19  ω    -70.00 -44.00   0.50   19.00    --   20.00  54.00 -60.00   52
 20  ω    -24.00 110.00   0.50   19.00    --   20.00  54.00 -60.00  268
 21  ω    -71.00 -43.00   0.50   19.00    --   20.00  54.00  90.00   56
 22  ω    -21.00 107.00   0.50   19.00    --   20.00  54.00  90.00  256
 23  ω    -67.00 -42.00   0.50   19.00    --   20.00  54.00  30.00   50
 24  ω      1.00 110.00   0.50   19.00    --   20.00  54.00  30.00  218
 25  ω    -59.00  42.00   0.50   19.00    --   20.00  54.00-147.89  202
;
_diffrn_measurement_device       'two-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Mini II'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0145041000
_diffrn_orient_matrix_UB_12      -0.0305546000
_diffrn_orient_matrix_UB_13      0.0717294000
_diffrn_orient_matrix_UB_21      0.0157465000
_diffrn_orient_matrix_UB_22      0.0307288000
_diffrn_orient_matrix_UB_23      0.0711885000
_diffrn_orient_matrix_UB_31      -0.0627043000
_diffrn_orient_matrix_UB_32      0.0006489000
_diffrn_orient_matrix_UB_33      0.0088714000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Rigaku (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                1372
_reflns_number_total             1945
_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 1.171.43.143a (Rigaku OD, 2024)'
_computing_data_collection       
'CrysAlisPro system (CCD 43.144a 64-bit (release 23-01-2025))'
_computing_data_reduction        'CrysAlisPro 1.171.43.143a (Rigaku OD, 2024)'
_computing_molecular_graphics    'Olex2 1.5-ac6-018 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5-ac6-018 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.615
_refine_diff_density_min         -0.331
_refine_diff_density_rms         0.075
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     125
_refine_ls_number_reflns         1945
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0634
_refine_ls_R_factor_gt           0.0384
_refine_ls_restrained_S_all      1.030
_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)+(0.0617P)²+0.5370P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1005
_refine_ls_wR_factor_ref         0.1108
_refine_special_details          ?
_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
K001 K 0.92440(5) 0.500000 0.25492(8) 0.03090(17) Uani 1 2 d S T P . .
K002 K 0.58053(6) 0.500000 0.25766(9) 0.03472(18) Uani 1 2 d S T P . .
O003 O 0.30310(11) 0.13506(7) -0.18914(19) 0.0311(3) Uani 1 1 d . . . . .
O004 O 0.500000 0.60415(11) 0.500000 0.0346(4) Uani 1 2 d S T P . .
O005 O 0.6955(2) 0.500000 -0.0348(4) 0.0386(5) Uani 1 2 d S T P . .
O006 O 0.500000 0.37313(11) 0.000000 0.0369(5) Uani 1 2 d S T P . .
O007 O 0.8060(2) 0.500000 0.5507(4) 0.0375(5) Uani 1 2 d S T P . .
O008 O 0.69384(12) 0.84276(8) 0.6990(2) 0.0348(3) Uani 1 1 d . . . . .
N009 N 0.500000 0.85047(12) 0.500000 0.0263(4) Uani 1 2 d S T P . .
N00A N 0.500000 0.12690(12) 0.000000 0.0249(4) Uani 1 2 d S T P . .
N00B N 0.40074(14) 0.25363(9) -0.0955(2) 0.0262(3) Uani 1 1 d . . . . .
N00C N 0.59829(14) 0.72391(10) 0.5957(2) 0.0283(3) Uani 1 1 d . . . . .
C00D C 0.39972(16) 0.16978(10) -0.0960(2) 0.0231(4) Uani 1 1 d . . . . .
C00E C 0.500000 0.67876(15) 0.500000 0.0249(5) Uani 1 2 d S T P . .
C00F C 0.500000 0.29919(14) 0.000000 0.0250(5) Uani 1 2 d S T P . .
C00G C 0.59953(16) 0.80846(10) 0.5998(2) 0.0247(4) Uani 1 1 d . . . . .
H00B H 0.3382(18) 0.2837(13) -0.153(3) 0.029(5) Uiso 1 1 d . . . . .
H00C H 0.661(2) 0.6960(15) 0.659(3) 0.043(7) Uiso 1 1 d . . . . .
H005 H 0.718(2) 0.5330(14) -0.079(3) 0.043(8) Uiso 1 1 d . . . . .
H007 H 0.7976(19) 0.5327(13) 0.608(3) 0.031(6) Uiso 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
K001 K001 3.5244(12) 5_766 ?
K001 O005 2.866(3) . ?
K001 O007 2.749(3) . ?
K001 O007 2.969(3) 5_766 ?
K001 O008 2.9394(13) 4_646 ?
K001 O008 2.9394(13) 7_666 ?
K001 N009 3.0160(17) 3_545 ?
K001 N009 3.0160(17) 7_666 ?
K001 N00A 3.0170(14) 3 ?
K001 N00A 3.0170(14) 7_655 ?
K001 C00G 3.3351(17) 4_646 ?
K001 C00G 3.3351(17) 7_666 ?
K002 K002 4.2739(12) 5_666 ?
K002 K002 3.7108(12) 5_665 ?
K002 O004 2.7336(12) 5_666 ?
K002 O004 2.7336(12) . ?
K002 O005 3.084(3) 5_665 ?
K002 O005 2.703(3) . ?
K002 O006 2.7848(14) 5_665 ?
K002 O006 2.7848(14) . ?
K002 O007 2.852(3) . ?
O003 C00D 1.252(2) . ?
O004 C00E 1.221(3) . ?
O006 C00F 1.210(3) . ?
O008 C00G 1.246(2) . ?
N009 C00G 1.3483(19) . ?
N009 C00G 1.3484(19) 2_656 ?
N00A C00D 1.3523(19) 2_655 ?
N00A C00D 1.3523(19) . ?
N00B C00D 1.373(2) . ?
N00B C00F 1.3669(19) . ?
N00C C00E 1.356(2) . ?
N00C C00G 1.384(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
O005 K001 K001 148.54(6) . 5_766 ?
O005 K001 O007 162.27(8) . 5_766 ?
O005 K001 O008 75.20(3) . 7_666 ?
O005 K001 O008 75.20(3) . 4_646 ?
O005 K001 N009 119.90(3) . 3_545 ?
O005 K001 N009 119.90(3) . 7_666 ?
O005 K001 N00A 83.14(4) . 3 ?
O005 K001 N00A 83.14(4) . 7_655 ?
O005 K001 C00G 96.10(4) . 7_666 ?
O005 K001 C00G 96.10(4) . 4_646 ?
O007 K001 K001 54.82(5) . 5_766 ?
O007 K001 K001 49.18(5) 5_766 5_766 ?
O007 K001 O005 93.73(7) . . ?
O007 K001 O007 104.00(6) . 5_766 ?
O007 K001 O008 66.90(3) . 4_646 ?
O007 K001 O008 66.90(3) . 7_666 ?
O007 K001 N009 70.33(3) . 3_545 ?
O007 K001 N009 67.55(3) 5_766 3_545 ?
O007 K001 N009 70.33(3) . 7_666 ?
O007 K001 N009 67.55(3) 5_766 7_666 ?
O007 K001 N00A 136.19(3) . 7_655 ?
O007 K001 N00A 84.02(4) 5_766 7_655 ?
O007 K001 N00A 84.02(4) 5_766 3 ?
O007 K001 N00A 136.19(3) . 3 ?
O007 K001 C00G 70.72(3) . 7_666 ?
O007 K001 C00G 70.72(3) . 4_646 ?
O007 K001 C00G 89.85(4) 5_766 4_646 ?
O007 K001 C00G 89.85(4) 5_766 7_666 ?
O008 K001 K001 90.23(3) 7_666 5_766 ?
O008 K001 K001 90.23(3) 4_646 5_766 ?
O008 K001 O007 111.60(3) 7_666 5_766 ?
O008 K001 O007 111.60(3) 4_646 5_766 ?
O008 K001 O008 122.24(6) 4_646 7_666 ?
O008 K001 N009 44.91(3) 4_646 3_545 ?
O008 K001 N009 135.48(4) 4_646 7_666 ?
O008 K001 N009 135.48(4) 7_666 3_545 ?
O008 K001 N009 44.91(3) 7_666 7_666 ?
O008 K001 N00A 149.95(4) 7_666 7_655 ?
O008 K001 N00A 149.95(4) 4_646 3 ?
O008 K001 N00A 70.11(4) 4_646 7_655 ?
O008 K001 N00A 70.11(4) 7_666 3 ?
O008 K001 C00G 135.85(5) 4_646 7_666 ?
O008 K001 C00G 135.85(5) 7_666 4_646 ?
O008 K001 C00G 21.75(4) 7_666 7_666 ?
O008 K001 C00G 21.75(4) 4_646 4_646 ?
N009 K001 K001 54.25(2) 7_666 5_766 ?
N009 K001 K001 54.25(2) 3_545 5_766 ?
N009 K001 N009 108.49(5) 7_666 3_545 ?
N009 K001 N00A 73.67(3) 3_545 7_655 ?
N009 K001 N00A 146.76(3) 3_545 3 ?
N009 K001 N00A 146.76(3) 7_666 7_655 ?
N009 K001 N00A 73.67(3) 7_666 3 ?
N009 K001 C00G 23.84(3) 7_666 7_666 ?
N009 K001 C00G 23.84(3) 3_545 4_646 ?
N009 K001 C00G 127.67(4) 7_666 4_646 ?
N009 K001 C00G 127.67(4) 3_545 7_666 ?
N00A K001 K001 118.37(2) 7_655 5_766 ?
N00A K001 K001 118.37(2) 3 5_766 ?
N00A K001 N00A 87.02(6) 7_655 3 ?
N00A K001 C00G 153.09(5) 7_655 7_666 ?
N00A K001 C00G 153.09(5) 3 4_646 ?
N00A K001 C00G 66.25(4) 7_655 4_646 ?
N00A K001 C00G 66.25(4) 3 7_666 ?
C00G K001 K001 74.94(3) 7_666 5_766 ?
C00G K001 K001 74.94(3) 4_646 5_766 ?
C00G K001 C00G 140.12(6) 7_666 4_646 ?
K001 K002 K002 127.86(3) . 5_666 ?
K002 K002 K001 103.65(3) 5_665 . ?
K002 K002 K002 128.49(3) 5_665 5_666 ?
O004 K002 K001 118.67(2) . . ?
O004 K002 K001 118.67(2) 5_666 . ?
O004 K002 K002 119.12(3) . 5_665 ?
O004 K002 K002 119.12(3) 5_666 5_665 ?
O004 K002 K002 38.58(3) 5_666 5_666 ?
O004 K002 K002 38.58(3) . 5_666 ?
O004 K002 O004 77.16(6) 5_666 . ?
O004 K002 O005 84.35(4) . 5_665 ?
O004 K002 O005 84.35(4) 5_666 5_665 ?
O004 K002 O006 142.11(3) 5_666 5_665 ?
O004 K002 O006 81.90(3) 5_666 . ?
O004 K002 O006 81.90(3) . 5_665 ?
O004 K002 O006 142.11(3) . . ?
O004 K002 O007 83.49(4) . . ?
O004 K002 O007 83.49(4) 5_666 . ?
O005 K002 K001 48.85(6) . . ?
O005 K002 K001 149.38(5) 5_665 . ?
O005 K002 K002 54.80(6) . 5_665 ?
O005 K002 K002 45.73(5) 5_665 5_665 ?
O005 K002 K002 82.76(5) 5_665 5_666 ?
O005 K002 K002 176.71(6) . 5_666 ?
O005 K002 O004 141.30(3) . 5_666 ?
O005 K002 O004 141.30(3) . . ?
O005 K002 O005 100.53(7) . 5_665 ?
O005 K002 O006 67.41(4) . . ?
O005 K002 O006 67.41(4) . 5_665 ?
O005 K002 O007 95.04(7) . . ?
O006 K002 K001 99.045(17) 5_665 . ?
O006 K002 K001 99.045(17) . . ?
O006 K002 K002 114.50(2) . 5_666 ?
O006 K002 K002 114.50(2) 5_665 5_666 ?
O006 K002 K002 48.22(3) 5_665 5_665 ?
O006 K002 K002 48.22(3) . 5_665 ?
O006 K002 O005 62.29(3) . 5_665 ?
O006 K002 O005 62.29(3) 5_665 5_665 ?
O006 K002 O006 96.44(5) 5_665 . ?
O006 K002 O007 125.18(3) 5_665 . ?
O006 K002 O007 125.17(3) . . ?
O007 K002 K001 46.19(5) . . ?
O007 K002 K002 149.84(6) . 5_665 ?
O007 K002 K002 81.67(5) . 5_666 ?
O007 K002 O005 164.42(8) . 5_665 ?
K002 O004 K002 102.84(6) 5_666 . ?
C00E O004 K002 128.58(3) . 5_666 ?
C00E O004 K002 128.58(3) . . ?
K001 O005 K002 165.37(10) . 5_665 ?
K002 O005 K001 85.91(7) . . ?
K002 O005 K002 79.47(7) . 5_665 ?
K002 O006 K002 83.56(5) 5_665 . ?
C00F O006 K002 138.22(3) . . ?
C00F O006 K002 138.22(3) . 5_665 ?
K001 O007 K001 76.00(6) . 5_766 ?
K001 O007 K002 85.32(7) . . ?
K002 O007 K001 161.32(10) . 5_766 ?
C00G O008 K001 97.29(11) . 7_666 ?
K001 N009 K001 71.51(5) 7_666 3_455 ?
C00G N009 K001 143.33(10) 2_656 7_666 ?
C00G N009 K001 91.47(9) 2_656 3_455 ?
C00G N009 K001 143.33(10) . 3_455 ?
C00G N009 K001 91.47(9) . 7_666 ?
C00G N009 C00G 118.7(2) . 2_656 ?
K001 N00A K001 92.98(6) 7_655 3_445 ?
C00D N00A K001 110.92(8) 2_655 7_655 ?
C00D N00A K001 110.93(8) . 3_445 ?
C00D N00A K001 110.95(8) . 7_655 ?
C00D N00A K001 110.95(8) 2_655 3_445 ?
C00D N00A C00D 117.5(2) 2_655 . ?
C00F N00B C00D 123.49(16) . . ?
C00E N00C C00G 123.93(16) . . ?
O003 C00D N00A 121.74(16) . . ?
O003 C00D N00B 117.42(16) . . ?
N00A C00D N00B 120.84(16) . . ?
O004 C00E N00C 123.01(11) . . ?
O004 C00E N00C 123.01(11) . 2_656 ?
N00C C00E N00C 114.0(2) 2_656 . ?
O006 C00F N00B 123.06(11) . 2_655 ?
O006 C00F N00B 123.06(11) . . ?
N00B C00F N00B 113.9(2) 2_655 . ?
O008 C00G K001 60.95(9) . 7_666 ?
O008 C00G N009 122.54(16) . . ?
O008 C00G N00C 117.73(16) . . ?
N009 C00G K001 64.69(9) . 7_666 ?
N009 C00G N00C 119.72(16) . . ?
N00C C00G K001 160.99(13) . 7_666 ?

_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 1.120
_oxdiff_exptl_absorpt_empirical_full_min 0.922
