# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2017

####################################################################### 
# 
# 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_prytscoa
_database_code_depnum_ccdc_archive 'CCDC 1508843'
_audit_update_record             
;
2016-10-07 deposited with the CCDC.
2017-01-30 downloaded from the CCDC.
;
_audit_creation_date             2016-10-07
_audit_creation_method           
;
Olex2 1.2
(compiled 2016.09.09 svn.r3337 for OlexSys, GUI svn.r5227)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '0.25(C24 Co4 K4 N24), 2(C H6 N)'
_chemical_formula_sum            'C8 H12 Co K N8'
_chemical_formula_weight         318.29
_chemical_melting_point          ?
_chemical_oxdiff_formula         C8H12CoKN8
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'
Co Co 0.3494 0.9721 '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'

_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           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   13.626(5)
_cell_length_b                   7.821(3)
_cell_length_c                   13.610(5)
_cell_angle_alpha                90
_cell_angle_beta                 108.55(3)
_cell_angle_gamma                90
_cell_volume                     1375.0(9)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    1905
_cell_measurement_temperature    100.00(14)
_cell_measurement_theta_max      28.3510
_cell_measurement_theta_min      3.0590
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.547
_exptl_absorpt_correction_T_max  0.838
_exptl_absorpt_correction_T_min  0.760
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.34a (Rigaku Oxford Diffraction, 2015)
Analytical numeric absorption correction using a multifaceted crystal
			model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    1.537
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             648
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
10 6 9 0.0463
-10 -6 -9 0.0933
17 1 -14 0.0751
-17 -1 14 0.1151
5 -8 10 0.1841
-15 6 0 0.1392
2 -10 -7 0.0822
14 -2 -16 0.0837

_exptl_crystal_size_max          0.393
_exptl_crystal_size_mid          0.217
_exptl_crystal_size_min          0.14
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
9.9355 6.1021 8.7310 -0.6306 -0.7653 0.1292
-9.9355 -6.1021 -8.7310 0.6306 0.7653 -0.1292
16.6587 1.1999 -14.1014 -0.8767 0.4369 -0.2013
-16.6587 -1.1999 14.1014 0.8767 -0.4369 0.2013
5.3911 -8.0914 9.5556 -0.0587 0.0292 0.9978
-14.7216 6.4733 -0.0821 0.5749 -0.2864 -0.7665
1.8898 -10.2469 -7.0961 0.1453 0.8696 0.4720
14.2186 -2.3142 -16.1181 -0.6727 0.7338 -0.0947

_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0227
_diffrn_reflns_av_unetI/netI     0.0378
_diffrn_reflns_Laue_measured_fraction_full 0.989
_diffrn_reflns_Laue_measured_fraction_max 0.857
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            3013
_diffrn_reflns_point_group_measured_fraction_full 0.989
_diffrn_reflns_point_group_measured_fraction_max 0.857
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         28.936
_diffrn_reflns_theta_min         3.045
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.00(14)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.3456
_diffrn_detector_type            Ruby
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.857
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     72.00  97.00   1.00    5.00    --   15.50-178.00  60.00   25
  2  ω     34.00  75.00   1.00    5.00    --  -16.75   0.00 -60.00   41
  3  ω   -107.00  28.00   1.00    5.00    --  -16.75   0.00 -60.00  135
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Ruby'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0497359000
_diffrn_orient_matrix_UB_12      -0.0242868000
_diffrn_orient_matrix_UB_13      0.0013497000
_diffrn_orient_matrix_UB_21      -0.0052585000
_diffrn_orient_matrix_UB_22      -0.0567313000
_diffrn_orient_matrix_UB_23      -0.0420201000
_diffrn_orient_matrix_UB_31      0.0226717000
_diffrn_orient_matrix_UB_32      -0.0663999000
_diffrn_orient_matrix_UB_33      0.0354087000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                1422
_reflns_number_total             1562
_reflns_odcompleteness_completeness 98.67
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_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 1.171.38.34a (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.34a (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.34a (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    ?
_refine_diff_density_max         0.249
_refine_diff_density_min         -0.425
_refine_diff_density_rms         0.073
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.065
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     108
_refine_ls_number_reflns         1562
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0303
_refine_ls_R_factor_gt           0.0263
_refine_ls_restrained_S_all      1.065
_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)+(0.0277P)²+0.2839P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0609
_refine_ls_wR_factor_ref         0.0647
_refine_special_details          ?
_olex2_refinement_description    
;
;
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     ?
_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
K1 K 0.0000 0.21115(7) 0.2500 0.01080(13) Uani 1 2 d S T P . .
Co1 Co 0.2500 0.2500 0.0000 0.00760(11) Uani 1 2 d S T P . .
N2 N 0.06164(11) 0.17836(19) 0.06917(10) 0.0131(3) Uani 1 1 d . . . . .
N4 N 0.36906(13) 0.2857(2) 0.39565(14) 0.0139(3) Uani 1 1 d . . . . .
N3 N 0.34491(11) -0.08590(19) 0.10237(11) 0.0148(3) Uani 1 1 d . . . . .
C2 C 0.13278(13) 0.2060(2) 0.04320(12) 0.0101(3) Uani 1 1 d . . . . .
N1 N 0.34827(12) 0.45222(19) 0.19879(11) 0.0183(4) Uani 1 1 d . . . . .
C1 C 0.31236(13) 0.3745(2) 0.12398(13) 0.0122(4) Uani 1 1 d . . . . .
C3 C 0.31096(12) 0.0422(2) 0.06443(12) 0.0106(4) Uani 1 1 d . . . . .
C4 C 0.40425(17) 0.1265(3) 0.35733(16) 0.0196(4) Uani 1 1 d . . . . .
H4D H 0.4667(18) 0.154(3) 0.3426(17) 0.038(7) Uiso 1 1 d . . . . .
H4A H 0.4134(17) 0.320(3) 0.4513(17) 0.023(6) Uiso 1 1 d . . . . .
H4B H 0.3147(19) 0.269(2) 0.4067(17) 0.019(6) Uiso 1 1 d . . . . .
H4E H 0.3487(18) 0.096(3) 0.2937(18) 0.036(6) Uiso 1 1 d . . . . .
H4C H 0.3633(16) 0.365(3) 0.3489(17) 0.026(6) Uiso 1 1 d . . . . .
H4F H 0.4127(16) 0.040(3) 0.4105(16) 0.026(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
K1 N2 2.8535(17) 2 ?
K1 N2 2.8536(17) . ?
K1 N3 2.8846(18) 3_455 ?
K1 N3 2.8846(18) 4 ?
K1 N1 2.8186(17) 3_445 ?
K1 N1 2.8186(17) 4_545 ?
Co1 C2 1.9008(18) . ?
Co1 C2 1.9008(18) 7 ?
Co1 C1 1.8986(18) 7 ?
Co1 C1 1.8986(18) . ?
Co1 C3 1.9073(18) 7 ?
Co1 C3 1.9073(18) . ?
N2 C2 1.153(2) . ?
N4 C4 1.487(3) . ?
N4 H4A 0.85(2) . ?
N4 H4B 0.81(2) . ?
N4 H4C 0.88(2) . ?
N3 K1 2.8846(18) 3_545 ?
N3 C3 1.154(2) . ?
N1 K1 2.8186(17) 3 ?
N1 C1 1.153(2) . ?
C4 H4D 0.96(2) . ?
C4 H4E 0.98(2) . ?
C4 H4F 0.97(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
N2 K1 N2 169.69(6) 2 . ?
N2 K1 N3 78.47(5) 2 4 ?
N2 K1 N3 107.38(5) . 4 ?
N2 K1 N3 107.38(5) 2 3_455 ?
N2 K1 N3 78.47(5) . 3_455 ?
N3 K1 N3 113.23(7) 3_455 4 ?
N1 K1 N2 96.67(5) 4_545 2 ?
N1 K1 N2 96.67(5) 3_445 . ?
N1 K1 N2 75.80(5) 4_545 . ?
N1 K1 N2 75.80(5) 3_445 2 ?
N1 K1 N3 152.23(4) 4_545 3_455 ?
N1 K1 N3 84.60(5) 3_445 3_455 ?
N1 K1 N3 152.23(4) 3_445 4 ?
N1 K1 N3 84.60(5) 4_545 4 ?
N1 K1 N1 88.14(7) 3_445 4_545 ?
C2 Co1 C2 180.00(10) 7 . ?
C2 Co1 C3 89.39(7) . . ?
C2 Co1 C3 90.61(7) 7 . ?
C2 Co1 C3 90.61(7) . 7 ?
C2 Co1 C3 89.39(7) 7 7 ?
C1 Co1 C2 90.03(8) 7 7 ?
C1 Co1 C2 90.03(8) . . ?
C1 Co1 C2 89.97(8) 7 . ?
C1 Co1 C2 89.97(8) . 7 ?
C1 Co1 C1 180.0 7 . ?
C1 Co1 C3 88.73(7) . 7 ?
C1 Co1 C3 88.73(7) 7 . ?
C1 Co1 C3 91.27(7) . . ?
C1 Co1 C3 91.27(7) 7 7 ?
C3 Co1 C3 180.0 7 . ?
C2 N2 K1 138.97(12) . . ?
C4 N4 H4A 111.3(14) . . ?
C4 N4 H4B 110.3(14) . . ?
C4 N4 H4C 107.8(14) . . ?
H4A N4 H4B 109(2) . . ?
H4A N4 H4C 107.1(19) . . ?
H4B N4 H4C 111.8(19) . . ?
C3 N3 K1 152.85(13) . 3_545 ?
N2 C2 Co1 179.61(16) . . ?
C1 N1 K1 132.01(13) . 3 ?
N1 C1 Co1 178.49(16) . . ?
N3 C3 Co1 177.91(15) . . ?
N4 C4 H4D 107.2(14) . . ?
N4 C4 H4E 105.4(13) . . ?
N4 C4 H4F 107.2(13) . . ?
H4D C4 H4E 110.8(18) . . ?
H4D C4 H4F 114.1(17) . . ?
H4E C4 H4F 111.6(17) . . ?

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
N4 H4A N2 0.85(2) 2.14(2) 2.932(3) 155(2) 8_556
N4 H4B N3 0.81(2) 2.42(2) 3.092(2) 140.8(18) 4
N4 H4C N1 0.88(2) 2.10(2) 2.911(2) 153.4(19) .

_shelx_SHELXL_version_number     2014/7
_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 1.049
_oxdiff_exptl_absorpt_empirical_full_min 0.965
####################################################################### 
# 
# 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_prytsco170caa
_database_code_depnum_ccdc_archive 'CCDC 1508844'
_audit_update_record             
;
2016-10-07 deposited with the CCDC.
2017-01-30 downloaded from the CCDC.
;
_audit_creation_date             2016-10-07
_audit_creation_method           
;
Olex2 1.2
(compiled 2016.09.09 svn.r3337 for OlexSys, GUI svn.r5227)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '0.5(C12 Co2 K2 N12), 4(C0.5 H3 N0.5)'
_chemical_formula_sum            'C8 H12 Co K N8'
_chemical_formula_weight         318.29
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C8 Co K N8'
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'
Co Co 0.3494 0.9721 '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'

_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      cubic
_space_group_IT_number           225
_space_group_name_H-M_alt        'F m -3 m'
_space_group_name_Hall           '-F 4 2 3'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'-x, y, -z'
'x, -y, -z'
'z, x, y'
'z, -x, -y'
'-z, -x, y'
'-z, x, -y'
'y, z, x'
'-y, z, -x'
'y, -z, -x'
'-y, -z, x'
'y, x, -z'
'-y, -x, -z'
'y, -x, z'
'-y, x, z'
'x, z, -y'
'-x, z, y'
'-x, -z, -y'
'x, -z, y'
'z, y, -x'
'z, -y, x'
'-z, y, x'
'-z, -y, -x'
'x, y+1/2, z+1/2'
'-x, -y+1/2, z+1/2'
'-x, y+1/2, -z+1/2'
'x, -y+1/2, -z+1/2'
'z, x+1/2, y+1/2'
'z, -x+1/2, -y+1/2'
'-z, -x+1/2, y+1/2'
'-z, x+1/2, -y+1/2'
'y, z+1/2, x+1/2'
'-y, z+1/2, -x+1/2'
'y, -z+1/2, -x+1/2'
'-y, -z+1/2, x+1/2'
'y, x+1/2, -z+1/2'
'-y, -x+1/2, -z+1/2'
'y, -x+1/2, z+1/2'
'-y, x+1/2, z+1/2'
'x, z+1/2, -y+1/2'
'-x, z+1/2, y+1/2'
'-x, -z+1/2, -y+1/2'
'x, -z+1/2, y+1/2'
'z, y+1/2, -x+1/2'
'z, -y+1/2, x+1/2'
'-z, y+1/2, x+1/2'
'-z, -y+1/2, -x+1/2'
'x+1/2, y, z+1/2'
'-x+1/2, -y, z+1/2'
'-x+1/2, y, -z+1/2'
'x+1/2, -y, -z+1/2'
'z+1/2, x, y+1/2'
'z+1/2, -x, -y+1/2'
'-z+1/2, -x, y+1/2'
'-z+1/2, x, -y+1/2'
'y+1/2, z, x+1/2'
'-y+1/2, z, -x+1/2'
'y+1/2, -z, -x+1/2'
'-y+1/2, -z, x+1/2'
'y+1/2, x, -z+1/2'
'-y+1/2, -x, -z+1/2'
'y+1/2, -x, z+1/2'
'-y+1/2, x, z+1/2'
'x+1/2, z, -y+1/2'
'-x+1/2, z, y+1/2'
'-x+1/2, -z, -y+1/2'
'x+1/2, -z, y+1/2'
'z+1/2, y, -x+1/2'
'z+1/2, -y, x+1/2'
'-z+1/2, y, x+1/2'
'-z+1/2, -y, -x+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, z'
'-x+1/2, y+1/2, -z'
'x+1/2, -y+1/2, -z'
'z+1/2, x+1/2, y'
'z+1/2, -x+1/2, -y'
'-z+1/2, -x+1/2, y'
'-z+1/2, x+1/2, -y'
'y+1/2, z+1/2, x'
'-y+1/2, z+1/2, -x'
'y+1/2, -z+1/2, -x'
'-y+1/2, -z+1/2, x'
'y+1/2, x+1/2, -z'
'-y+1/2, -x+1/2, -z'
'y+1/2, -x+1/2, z'
'-y+1/2, x+1/2, z'
'x+1/2, z+1/2, -y'
'-x+1/2, z+1/2, y'
'-x+1/2, -z+1/2, -y'
'x+1/2, -z+1/2, y'
'z+1/2, y+1/2, -x'
'z+1/2, -y+1/2, x'
'-z+1/2, y+1/2, x'
'-z+1/2, -y+1/2, -x'
'-x, -y, -z'
'x, y, -z'
'x, -y, z'
'-x, y, z'
'-z, -x, -y'
'-z, x, y'
'z, x, -y'
'z, -x, y'
'-y, -z, -x'
'y, -z, x'
'-y, z, x'
'y, z, -x'
'-y, -x, z'
'y, x, z'
'-y, x, -z'
'y, -x, -z'
'-x, -z, y'
'x, -z, -y'
'x, z, y'
'-x, z, -y'
'-z, -y, x'
'-z, y, -x'
'z, -y, -x'
'z, y, x'
'-x, -y+1/2, -z+1/2'
'x, y+1/2, -z+1/2'
'x, -y+1/2, z+1/2'
'-x, y+1/2, z+1/2'
'-z, -x+1/2, -y+1/2'
'-z, x+1/2, y+1/2'
'z, x+1/2, -y+1/2'
'z, -x+1/2, y+1/2'
'-y, -z+1/2, -x+1/2'
'y, -z+1/2, x+1/2'
'-y, z+1/2, x+1/2'
'y, z+1/2, -x+1/2'
'-y, -x+1/2, z+1/2'
'y, x+1/2, z+1/2'
'-y, x+1/2, -z+1/2'
'y, -x+1/2, -z+1/2'
'-x, -z+1/2, y+1/2'
'x, -z+1/2, -y+1/2'
'x, z+1/2, y+1/2'
'-x, z+1/2, -y+1/2'
'-z, -y+1/2, x+1/2'
'-z, y+1/2, -x+1/2'
'z, -y+1/2, -x+1/2'
'z, y+1/2, x+1/2'
'-x+1/2, -y, -z+1/2'
'x+1/2, y, -z+1/2'
'x+1/2, -y, z+1/2'
'-x+1/2, y, z+1/2'
'-z+1/2, -x, -y+1/2'
'-z+1/2, x, y+1/2'
'z+1/2, x, -y+1/2'
'z+1/2, -x, y+1/2'
'-y+1/2, -z, -x+1/2'
'y+1/2, -z, x+1/2'
'-y+1/2, z, x+1/2'
'y+1/2, z, -x+1/2'
'-y+1/2, -x, z+1/2'
'y+1/2, x, z+1/2'
'-y+1/2, x, -z+1/2'
'y+1/2, -x, -z+1/2'
'-x+1/2, -z, y+1/2'
'x+1/2, -z, -y+1/2'
'x+1/2, z, y+1/2'
'-x+1/2, z, -y+1/2'
'-z+1/2, -y, x+1/2'
'-z+1/2, y, -x+1/2'
'z+1/2, -y, -x+1/2'
'z+1/2, y, x+1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, y+1/2, -z'
'x+1/2, -y+1/2, z'
'-x+1/2, y+1/2, z'
'-z+1/2, -x+1/2, -y'
'-z+1/2, x+1/2, y'
'z+1/2, x+1/2, -y'
'z+1/2, -x+1/2, y'
'-y+1/2, -z+1/2, -x'
'y+1/2, -z+1/2, x'
'-y+1/2, z+1/2, x'
'y+1/2, z+1/2, -x'
'-y+1/2, -x+1/2, z'
'y+1/2, x+1/2, z'
'-y+1/2, x+1/2, -z'
'y+1/2, -x+1/2, -z'
'-x+1/2, -z+1/2, y'
'x+1/2, -z+1/2, -y'
'x+1/2, z+1/2, y'
'-x+1/2, z+1/2, -y'
'-z+1/2, -y+1/2, x'
'-z+1/2, y+1/2, -x'
'z+1/2, -y+1/2, -x'
'z+1/2, y+1/2, x'

_cell_length_a                   11.38833(18)
_cell_length_b                   11.38833(18)
_cell_length_c                   11.38833(18)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     1477.00(7)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    2768
_cell_measurement_temperature    443(2)
_cell_measurement_theta_max      29.3480
_cell_measurement_theta_min      3.0910
_shelx_estimated_absorpt_T_max   0.762
_shelx_estimated_absorpt_T_min   0.648
_exptl_absorpt_coefficient_mu    1.440
_exptl_absorpt_correction_T_max  0.766
_exptl_absorpt_correction_T_min  0.665
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.34a (Rigaku Oxford Diffraction, 2015)
Analytical numeric absorption correction using a multifaceted crystal
			model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    1.431
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       ?
_exptl_crystal_F_000             648
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
0 0 1 0.1602
1 0 0 0.1151
0 -1 0 0.1718
0 1 0 0.1534
-1 0 0 0.0861
0 0 -1 0.1602
0 1 -1 0.1694
1 -1 1 0.1950
13 8 5 0.1613
-1 0 1 0.1516
0 1 1 0.1828
1 0 -1 0.1628

_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.2
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
-0.0008 0.0005 0.9954 -0.0407 0.0431 -0.0182
0.9961 0.0001 0.0004 -0.0434 -0.0438 -0.0065
0.0004 -0.9954 -0.0003 0.0175 -0.0085 -0.0589
-0.0004 0.9954 0.0003 -0.0175 0.0085 0.0589
-0.9961 -0.0001 -0.0004 0.0434 0.0438 0.0065
0.0008 -0.0005 -0.9954 0.0407 -0.0431 0.0182
0.0004 0.9950 -0.9952 0.0232 -0.0345 0.0771
0.9957 -0.9948 0.9955 -0.0666 -0.0093 -0.0836
12.9258 7.9164 5.2618 -0.9177 -0.2743 0.2875
-0.9969 0.0003 0.9951 0.0027 0.0869 -0.0118
-0.0012 0.9959 0.9957 -0.0582 0.0516 0.0406
0.9969 -0.0003 -0.9951 -0.0027 -0.0869 0.0118

_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0241
_diffrn_reflns_av_unetI/netI     0.0066
_diffrn_reflns_Laue_measured_fraction_full 0.981
_diffrn_reflns_Laue_measured_fraction_max 0.981
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            3079
_diffrn_reflns_point_group_measured_fraction_full 0.981
_diffrn_reflns_point_group_measured_fraction_max 0.981
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         26.187
_diffrn_reflns_theta_min         3.098
_diffrn_ambient_temperature      443.15
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 8.4350
_diffrn_detector_type            'Sapphire1, long nozzle'
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -67.00 122.75   0.75   25.00    --   28.00   0.00   0.00  253
  2  ω    -36.00  79.50   0.75   25.00    --   34.00 -84.00   0.00  154
  3  ω    -36.00  79.50   0.75   25.00    --   34.00 -84.00  88.00  154
  4  ω    -36.00  79.50   0.75   25.00    --   34.00 -84.00 180.00  154
  5  ω    -36.00  79.50   0.75   25.00    --   34.00 -84.00 268.00  154
  6  ω    -26.00 -11.75   0.75   25.00    --   28.00  45.00  45.00   19
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Sapphire1, long nozzle'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0435652000
_diffrn_orient_matrix_UB_12      -0.0175969000
_diffrn_orient_matrix_UB_13      -0.0409068000
_diffrn_orient_matrix_UB_21      -0.0440360000
_diffrn_orient_matrix_UB_22      0.0085299000
_diffrn_orient_matrix_UB_23      0.0432080000
_diffrn_orient_matrix_UB_31      -0.0065136000
_diffrn_orient_matrix_UB_32      0.0591475000
_diffrn_orient_matrix_UB_33      -0.0183548000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                104
_reflns_number_total             104
_reflns_odcompleteness_completeness 100.00
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_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 1.171.38.34a (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.34a (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.34a (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.748
_refine_diff_density_min         -0.633
_refine_diff_density_rms         0.178
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.280
_refine_ls_hydrogen_treatment    refxyz
_refine_ls_matrix_type           full
_refine_ls_number_parameters     19
_refine_ls_number_reflns         104
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.0702
_refine_ls_R_factor_gt           0.0702
_refine_ls_restrained_S_all      1.289
_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)+(0.1120P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1299
_refine_ls_wR_factor_ref         0.1299
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.5 times of:
  All N(H) groups
2. Restrained distances
 N2-H2A
 0.9 with sigma of 0.002
 H2A-N1
 1.65 with sigma of 0.02
3. Others
 Fixed Sof: C2(0.04167) N2(0.04167) H2A(0.125) H2(0.125)
;
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     direct
_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
Co1 Co 0.0000 0.5000 0.0000 0.0414(9) Uani 1 48 d S T P . .
K1 K 0.0000 0.5000 0.5000 0.0549(11) Uani 1 48 d S T P . .
C1 C 0.0000 0.5000 0.1635(10) 0.121(3) Uani 1 8 d S T P . .
N1 N 0.0000 0.5000 0.2615(11) 0.220(16) Uani 1 8 d DS T P . .
C2 C 0.201(3) 0.299(3) 0.299(3) 0.136(15) Uani 0.25 6 d S T P . .
N2 N 0.147(2) 0.353(2) 0.353(2) 0.164(19) Uani 0.25 6 d DS T P . .
H2A H 0.097(4) 0.403(4) 0.317(11) 0.246 Uiso 0.25 2 d DRS T P . .
H2 H 0.2500 0.300(8) 0.2500 0.01(3) Uiso 0.5 4 d S T P . .


_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
Co1 C1 1.862(11) . ?
Co1 C1 1.862(11) 125 ?
Co1 C1 1.862(11) 29_554 ?
Co1 C1 1.862(11) 177 ?
Co1 C1 1.862(11) 97_565 ?
Co1 C1 1.862(11) 81_455 ?
K1 N1 2.716(12) . ?
K1 N1 2.717(12) 173_556 ?
K1 N1 2.717(12) 57_455 ?
K1 N1 2.717(12) 97_566 ?
K1 N1 2.717(12) 153_565 ?
K1 N1 2.717(12) 77_455 ?
K1 H2A 2.61(13) . ?
C1 N1 1.116(16) . ?
C2 C2 1.57(10) 74 ?
C2 C2 1.57(10) 51 ?
C2 C2 1.57(10) 28 ?
C2 N2 1.07(6) 181 ?
C2 N2 1.07(6) . ?
C2 N2 1.07(6) 79 ?
C2 N2 1.07(6) 115 ?
C2 N2 1.07(6) 58 ?
C2 N2 1.07(6) 166 ?
C2 H2 0.78(5) . ?
N2 N2 0.00000(3) 166 ?
N2 N2 0.00000(3) 58 ?
N2 N2 0.00(5) 181 ?
N2 N2 0.00(5) 79 ?
N2 N2 0.00(5) 115 ?
N2 H2A 0.900(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
C1 Co1 C1 90.0 . 177 ?
C1 Co1 C1 90.000(1) 97_565 125 ?
C1 Co1 C1 90.0 97_565 81_455 ?
C1 Co1 C1 180.0 . 97_565 ?
C1 Co1 C1 90.0 . 81_455 ?
C1 Co1 C1 90.0 177 97_565 ?
C1 Co1 C1 90.000(1) 177 125 ?
C1 Co1 C1 90.000(1) . 29_554 ?
C1 Co1 C1 180.0 29_554 125 ?
C1 Co1 C1 90.0 177 29_554 ?
C1 Co1 C1 180.0 177 81_455 ?
C1 Co1 C1 90.0 97_565 29_554 ?
C1 Co1 C1 90.0 29_554 81_455 ?
C1 Co1 C1 90.0 . 125 ?
C1 Co1 C1 90.000(1) 125 81_455 ?
N1 K1 N1 90.000(2) . 77_455 ?
N1 K1 N1 180.0 153_565 57_455 ?
N1 K1 N1 90.000(2) 153_565 173_556 ?
N1 K1 N1 180.0 . 97_566 ?
N1 K1 N1 180.0 77_455 173_556 ?
N1 K1 N1 90.000(1) 77_455 97_566 ?
N1 K1 N1 90.0 97_566 57_455 ?
N1 K1 N1 90.000(1) 77_455 153_565 ?
N1 K1 N1 90.0 . 173_556 ?
N1 K1 N1 90.000(1) 97_566 153_565 ?
N1 K1 N1 90.000(2) 97_566 173_556 ?
N1 K1 N1 90.000(1) . 57_455 ?
N1 K1 N1 90.000(1) 57_455 173_556 ?
N1 K1 N1 90.000(2) 77_455 57_455 ?
N1 K1 N1 90.0 . 153_565 ?
N1 K1 H2A 36.9(8) . . ?
N1 K1 H2A 64.9(5) 173_556 . ?
N1 K1 H2A 64.9(5) 57_455 . ?
N1 K1 H2A 115.1(5) 77_455 . ?
N1 K1 H2A 143.1(8) 97_566 . ?
N1 K1 H2A 115.1(5) 153_565 . ?
N1 C1 Co1 180.0 . . ?
C1 N1 K1 180.0 . . ?
C2 C2 C2 60.003(2) 74 51 ?
C2 C2 C2 60.001(1) 28 74 ?
C2 C2 C2 60.001(1) 28 51 ?
C2 C2 H2 1(8) 51 . ?
C2 C2 H2 61(6) 74 . ?
C2 C2 H2 61(6) 28 . ?
N2 C2 C2 144.734(11) 79 74 ?
N2 C2 C2 144.734(16) . 51 ?
N2 C2 C2 144.74(3) 79 28 ?
N2 C2 C2 144.734(12) . 74 ?
N2 C2 C2 144.734(16) 181 51 ?
N2 C2 C2 144.734(11) 58 74 ?
N2 C2 C2 144.734(16) 79 51 ?
N2 C2 C2 144.734(15) 166 51 ?
N2 C2 C2 144.734(15) 58 51 ?
N2 C2 C2 144.74(3) 58 28 ?
N2 C2 C2 144.734(16) 115 51 ?
N2 C2 C2 144.74(3) 181 28 ?
N2 C2 C2 144.74(3) . 28 ?
N2 C2 C2 144.734(11) 181 74 ?
N2 C2 C2 144.74(3) 166 28 ?
N2 C2 C2 144.734(12) 115 74 ?
N2 C2 C2 144.734(11) 166 74 ?
N2 C2 C2 144.74(3) 115 28 ?
N2 C2 N2 0(2) 79 166 ?
N2 C2 N2 0(2) . 181 ?
N2 C2 N2 0(2) 58 115 ?
N2 C2 N2 0.000(9) . 166 ?
N2 C2 N2 0(4) 79 115 ?
N2 C2 N2 0(4) 58 166 ?
N2 C2 N2 0(4) 79 181 ?
N2 C2 N2 0.000(9) 115 166 ?
N2 C2 N2 0(2) 58 181 ?
N2 C2 N2 0(4) 79 . ?
N2 C2 N2 0(4) . 115 ?
N2 C2 N2 0(2) 79 58 ?
N2 C2 N2 0(4) 181 115 ?
N2 C2 N2 0.000(9) . 58 ?
N2 C2 N2 0(2) 181 166 ?
N2 C2 H2 144(8) 181 . ?
N2 C2 H2 144(8) . . ?
N2 C2 H2 144(8) 79 . ?
N2 C2 H2 144(8) 115 . ?
N2 C2 H2 144(8) 166 . ?
N2 C2 H2 144(8) 58 . ?
C2 N2 H2A 117(10) . . ?
N2 N2 C2 92(10) 181 . ?
N2 N2 C2 92(10) 79 . ?
N2 N2 C2 0(10) 115 . ?
N2 N2 C2 92(10) 166 . ?
N2 N2 C2 92(10) 58 . ?
N2 N2 N2 0(10) 79 115 ?
N2 N2 N2 0(10) 166 115 ?
N2 N2 N2 0(10) 58 181 ?
N2 N2 N2 0(10) 166 79 ?
N2 N2 N2 0(10) 115 58 ?
N2 N2 N2 0(10) 115 181 ?
N2 N2 N2 0(10) 166 58 ?
N2 N2 N2 0(10) 166 181 ?
N2 N2 N2 0(10) 79 58 ?
N2 N2 N2 0(10) 79 181 ?
N2 N2 H2A 88(10) 79 . ?
N2 N2 H2A 39(10) 166 . ?
N2 N2 H2A 88(10) 181 . ?
N2 N2 H2A 0(10) 115 . ?
N2 N2 H2A 39(10) 58 . ?

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
C2 H2 N2 0.78(5) 1.77(5) 2.52(7) 161(10) 51

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
C2 C2 N2 N2 -29(41) 28 . . 166 ?
C2 C2 N2 N2 149(100) 51 . . 181 ?
C2 C2 N2 N2 -29(41) 28 . . 58 ?
C2 C2 N2 N2 -149(100) 74 . . 166 ?
C2 C2 N2 N2 0(100) 74 . . 115 ?
C2 C2 N2 N2 91(100) 51 . . 166 ?
C2 C2 N2 N2 -91(100) 74 . . 181 ?
C2 C2 N2 N2 29(100) 28 . . 181 ?
C2 C2 N2 N2 0.000(3) 28 . . 115 ?
C2 C2 N2 N2 29(100) 28 . . 79 ?
C2 C2 N2 N2 0.000(6) 51 . . 115 ?
C2 C2 N2 N2 -91(100) 74 . . 79 ?
C2 C2 N2 N2 -149(100) 74 . . 58 ?
C2 C2 N2 N2 91(100) 51 . . 58 ?
C2 C2 N2 N2 149(100) 51 . . 79 ?
N2 C2 N2 N2 0(100) 115 . . 181 ?
N2 C2 N2 N2 0(100) 115 . . 58 ?
N2 C2 N2 N2 0.000(7) 79 . . 181 ?
N2 C2 N2 N2 0(100) 58 . . 79 ?
N2 C2 N2 N2 0.000(9) 58 . . 166 ?
N2 C2 N2 N2 0(100) 115 . . 166 ?
N2 C2 N2 N2 0(100) 181 . . 58 ?
N2 C2 N2 N2 0(100) 115 . . 79 ?
N2 C2 N2 N2 0.000(9) 166 . . 58 ?
N2 C2 N2 N2 0(100) 166 . . 79 ?
N2 C2 N2 N2 0(100) 181 . . 166 ?
N2 C2 N2 N2 0(100) 79 . . 166 ?
N2 C2 N2 N2 0(100) 79 . . 58 ?
N2 C2 N2 N2 0(100) 58 . . 181 ?
N2 C2 N2 N2 0(100) 79 . . 115 ?
N2 C2 N2 N2 0(100) 166 . . 181 ?
N2 C2 N2 N2 0(100) 58 . . 115 ?
N2 C2 N2 N2 0.000(7) 181 . . 79 ?
N2 C2 N2 N2 0(100) 181 . . 115 ?
N2 C2 N2 N2 0(100) 166 . . 115 ?

_shelx_SHELXL_version_number     2014/7
_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 1.211
_oxdiff_exptl_absorpt_empirical_full_min 0.878
