# Electronic Supplementary Material (ESI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2023

####################################################################### 
# 
# 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_326J2
_database_code_depnum_ccdc_archive 'CCDC 2203409'
loop_
_audit_author_name
_audit_author_address
'Jaursup Boonmak'
;Khon Kaen University
Thailand
;
_audit_update_record             
;
2022-08-25 deposited with the CCDC.	2023-06-05 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        
'3,4,5-trihydroxybenzoato-N-methyl(pyridine-2-yl)cyanoguanidinecopper(II)chloride trihydrate'
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C32 H46 Cl2 Cu2 N10 O17'
_chemical_formula_weight         1040.77

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_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.
;

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                   12.3859(5)
_cell_length_b                   6.7939(2)
_cell_length_c                   25.8663(9)
_cell_angle_alpha                90
_cell_angle_beta                 103.0320(10)
_cell_angle_gamma                90
_cell_volume                     2120.55(13)
_cell_formula_units_Z            2
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    9957
_cell_measurement_theta_min      3.106
_cell_measurement_theta_max      25.984

_exptl_crystal_description       block
_exptl_crystal_colour            purple
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.630
_exptl_crystal_F_000             1072
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.170
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.050
_exptl_absorpt_coefficient_mu    1.213
_shelx_estimated_absorpt_T_min   0.820
_shelx_estimated_absorpt_T_max   0.942
_exptl_absorpt_process_details   'SADABS 2014/5'
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.6733
_exptl_special_details           
;
 The following wavelength and cell were deduced by SADABS from the
 direction cosines etc. They are given here for emergency use only:
 CELL 0.71066   12.361    6.785   25.836   89.999  103.037   89.993
;
_diffrn_ambient_temperature      298(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  
;
Bruker D8 QUEST PHOTON 100
;
_diffrn_measurement_method       '\fandω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            43596
_diffrn_reflns_av_unetI/netI     0.0316
_diffrn_reflns_av_R_equivalents  0.0559
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_theta_min         3.105
_diffrn_reflns_theta_max         26.019
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             4174
_reflns_number_gt                3182
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       BrukerAPEX2
_computing_cell_refinement       'SAINT v8.34A (Bruker, 2013)'
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    SHELXL
_computing_publication_material  SHELXL
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0496P)²+1.7900P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         4174
_refine_ls_number_parameters     330
_refine_ls_number_restraints     9
_refine_ls_R_factor_all          0.0623
_refine_ls_R_factor_gt           0.0391
_refine_ls_wR_factor_ref         0.1008
_refine_ls_wR_factor_gt          0.0907
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_restrained_S_all      1.021
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

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
C1 C 0.0195(3) 0.4689(5) 0.73342(11) 0.0461(8) Uani 1 1 d . . . . .
H1 H 0.0789 0.4643 0.7170 0.055 Uiso 1 1 calc R U . . .
C2 C -0.0833(3) 0.5130(6) 0.70385(14) 0.0614(10) Uani 1 1 d . . . . .
H2 H -0.0938 0.5381 0.6677 0.074 Uiso 1 1 calc R U . . .
C3 C -0.1713(3) 0.5200(6) 0.72798(15) 0.0664(11) Uani 1 1 d . . . . .
H3 H -0.2421 0.5494 0.7084 0.080 Uiso 1 1 calc R U . . .
C4 C -0.1530(3) 0.4829(6) 0.78155(15) 0.0559(9) Uani 1 1 d . . . . .
H4 H -0.2114 0.4884 0.7987 0.067 Uiso 1 1 calc R U . . .
C5 C -0.0479(2) 0.4378(4) 0.80949(12) 0.0385(7) Uani 1 1 d . . . . .
C6 C -0.0228(2) 0.3946(4) 0.86772(12) 0.0390(7) Uani 1 1 d . . . . .
H6A H -0.0447 0.5056 0.8866 0.047 Uiso 1 1 calc R U . . .
H6B H -0.0647 0.2804 0.8743 0.047 Uiso 1 1 calc R U . . .
C7 C 0.1288(2) 0.3135(4) 0.93665(11) 0.0362(7) Uani 1 1 d . . . . .
H7B H 0.265(3) 0.164(3) 0.4347(13) 0.17(3) Uiso 1 1 d D . . . .
H7A H 0.299(3) 0.3748(13) 0.4484(13) 0.087(17) Uiso 1 1 d D . . . .
C8 C 0.3257(2) 0.2829(5) 0.93459(11) 0.0370(7) Uani 1 1 d . . . . .
H8B H 0.038(2) 0.140(3) 0.6367(8) 0.088(14) Uiso 1 1 d D . . . .
H8A H -0.0500(4) 0.243(5) 0.5955(12) 0.107(17) Uiso 1 1 d D . . . .
C9 C 0.5211(3) 0.2384(7) 0.95349(14) 0.0649(11) Uani 1 1 d . . . . .
H9A H 0.5148 0.1429 0.9256 0.097 Uiso 1 1 calc R U . . .
H9B H 0.5798 0.2009 0.9829 0.097 Uiso 1 1 calc R U . . .
H9C H 0.5371 0.3651 0.9406 0.097 Uiso 1 1 calc R U . . .
C10 C 0.3510(2) 0.4200(4) 0.76983(11) 0.0344(7) Uani 1 1 d . . . . .
H10B H 0.686(3) 0.5662(16) 0.8732(13) 0.016(12) Uiso 0.5 1 d D . P . .
H10A H 0.605(2) 0.445(4) 0.8326(10) 0.042(17) Uiso 0.5 1 d D . P . .
C11 C 0.3705(2) 0.4018(4) 0.71440(10) 0.0311(6) Uani 1 1 d . . . . .
C12 C 0.4758(2) 0.4282(4) 0.70591(11) 0.0335(6) Uani 1 1 d . . . . .
H12 H 0.5337 0.4651 0.7338 0.040 Uiso 1 1 calc R U . . .
C13 C 0.4947(2) 0.3994(4) 0.65575(11) 0.0335(6) Uani 1 1 d . . . . .
C14 C 0.4093(2) 0.3498(4) 0.61355(11) 0.0318(6) Uani 1 1 d . . . . .
C15 C 0.3028(2) 0.3286(4) 0.62185(11) 0.0324(6) Uani 1 1 d . . . . .
C16 C 0.2839(2) 0.3520(4) 0.67204(11) 0.0333(6) Uani 1 1 d . . . . .
H16 H 0.2129 0.3343 0.6776 0.040 Uiso 1 1 calc R U . . .
N1 N 0.03755(19) 0.4315(3) 0.78598(9) 0.0355(6) Uani 1 1 d . . . . .
N2 N 0.09473(19) 0.3573(3) 0.88688(9) 0.0336(5) Uani 1 1 d . . . . .
N3 N 0.2388(2) 0.2779(4) 0.95854(9) 0.0416(6) Uani 1 1 d . . . . .
H3B H 0.2547 0.2486 0.9917 0.050 Uiso 1 1 calc R U . . .
N4 N 0.31588(19) 0.3158(4) 0.88541(9) 0.0380(6) Uani 1 1 d . . . . .
H4B H 0.3760 0.3122 0.8741 0.046 Uiso 1 1 calc R U . . .
N5 N 0.0638(2) 0.3008(4) 0.97134(10) 0.0485(7) Uani 1 1 d . . . . .
H5A H -0.0062 0.3225 0.9611 0.058 Uiso 1 1 calc R U . . .
H5B H 0.0919 0.2710 1.0039 0.058 Uiso 1 1 calc R U . . .
O1 O 0.25300(16) 0.3815(3) 0.77396(7) 0.0418(5) Uani 1 1 d . . . . .
O2 O 0.42911(17) 0.4649(4) 0.80708(8) 0.0502(6) Uani 1 1 d . . . . .
O3 O 0.60047(17) 0.4239(4) 0.64955(9) 0.0498(6) Uani 1 1 d . . . . .
H3A H 0.6043(9) 0.388(6) 0.6234(16) 0.075 Uiso 1 1 calc R U . . .
O4 O 0.43423(18) 0.3226(4) 0.56522(8) 0.0453(6) Uani 1 1 d . . . . .
H4A H 0.385(3) 0.299(6) 0.5459(11) 0.068 Uiso 1 1 calc R U . . .
O5 O 0.22182(18) 0.2851(4) 0.57768(7) 0.0465(6) Uani 1 1 d . . . . .
H5 H 0.162(3) 0.261(6) 0.5867(5) 0.070 Uiso 1 1 calc R U . . .
O6 O 0.41838(18) 0.2477(4) 0.97057(8) 0.0541(6) Uani 1 1 d . . . . .
O7 O 0.3169(3) 0.2416(6) 0.45940(13) 0.0900(10) Uani 1 1 d D . . . .
O8 O 0.0287(2) 0.2322(4) 0.60788(10) 0.0650(7) Uani 1 1 d D . . . .
O9 O 0.6674(4) 0.4334(7) 0.86223(19) 0.0517(12) Uani 0.5 1 d D . P . .
Cl1 Cl 0.7490(4) 0.246(3) 0.57938(17) 0.062(3) Uani 0.41(2) 1 d . . P A 2
Cl1A Cl 0.7659(4) 0.3512(17) 0.57759(10) 0.0520(15) Uani 0.59(2) 1 d . . P A 1
Cu1 Cu 0.18256(3) 0.37265(5) 0.83335(2) 0.03177(13) 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
C1 N1 1.351(4) . ?
C1 C2 1.362(5) . ?
C1 H1 0.9300 . ?
C2 C3 1.373(5) . ?
C2 H2 0.9300 . ?
C3 C4 1.376(5) . ?
C3 H3 0.9300 . ?
C4 C5 1.374(4) . ?
C4 H4 0.9300 . ?
C5 N1 1.335(4) . ?
C5 C6 1.497(4) . ?
C6 N2 1.451(4) . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C7 N2 1.296(4) . ?
C7 N5 1.337(4) . ?
C7 N3 1.373(4) . ?
C8 N4 1.270(3) . ?
C8 O6 1.327(3) . ?
C8 N3 1.358(4) . ?
C9 O6 1.439(4) . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 O2 1.240(3) . ?
C10 O1 1.270(3) . ?
C10 C11 1.512(4) . ?
C11 C12 1.382(4) . ?
C11 C16 1.391(4) . ?
C12 C13 1.383(4) . ?
C12 H12 0.9300 . ?
C13 O3 1.365(3) . ?
C13 C14 1.380(4) . ?
C14 O4 1.366(3) . ?
C14 C15 1.391(4) . ?
C15 O5 1.372(3) . ?
C15 C16 1.379(4) . ?
C16 H16 0.9300 . ?
N1 Cu1 1.973(2) . ?
N2 Cu1 1.947(2) . ?
N3 H3B 0.8600 . ?
N4 Cu1 1.920(2) . ?
N4 H4B 0.8600 . ?
N5 H5A 0.8600 . ?
N5 H5B 0.8600 . ?
O1 Cu1 1.9310(19) . ?
O3 H3A 0.73(4) . ?
O4 H4A 0.72(4) . ?
O5 H5 0.84(4) . ?
O7 H7B 0.9584(11) . ?
O7 H7A 0.9584(11) . ?
O8 H8B 0.9582(11) . ?
O8 H8A 0.9582(11) . ?
O9 H10B 0.9582(11) . ?
O9 H10A 0.9582(11) . ?

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
N1 C1 C2 121.9(3) . . ?
N1 C1 H1 119.1 . . ?
C2 C1 H1 119.1 . . ?
C1 C2 C3 119.3(3) . . ?
C1 C2 H2 120.4 . . ?
C3 C2 H2 120.4 . . ?
C2 C3 C4 119.0(3) . . ?
C2 C3 H3 120.5 . . ?
C4 C3 H3 120.5 . . ?
C5 C4 C3 119.4(3) . . ?
C5 C4 H4 120.3 . . ?
C3 C4 H4 120.3 . . ?
N1 C5 C4 121.5(3) . . ?
N1 C5 C6 116.5(3) . . ?
C4 C5 C6 122.0(3) . . ?
N2 C6 C5 110.0(2) . . ?
N2 C6 H6A 109.7 . . ?
C5 C6 H6A 109.7 . . ?
N2 C6 H6B 109.7 . . ?
C5 C6 H6B 109.7 . . ?
H6A C6 H6B 108.2 . . ?
N2 C7 N5 124.8(3) . . ?
N2 C7 N3 121.4(3) . . ?
N5 C7 N3 113.8(3) . . ?
N4 C8 O6 127.3(3) . . ?
N4 C8 N3 123.7(3) . . ?
O6 C8 N3 109.0(2) . . ?
O6 C9 H9A 109.5 . . ?
O6 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
O6 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
O2 C10 O1 125.4(3) . . ?
O2 C10 C11 119.6(2) . . ?
O1 C10 C11 115.0(2) . . ?
C12 C11 C16 119.6(2) . . ?
C12 C11 C10 119.9(3) . . ?
C16 C11 C10 120.5(2) . . ?
C11 C12 C13 119.8(3) . . ?
C11 C12 H12 120.1 . . ?
C13 C12 H12 120.1 . . ?
O3 C13 C14 121.5(2) . . ?
O3 C13 C12 117.6(3) . . ?
C14 C13 C12 120.9(3) . . ?
O4 C14 C13 117.7(3) . . ?
O4 C14 C15 123.1(3) . . ?
C13 C14 C15 119.2(2) . . ?
O5 C15 C16 124.2(3) . . ?
O5 C15 C14 115.7(2) . . ?
C16 C15 C14 120.1(3) . . ?
C15 C16 C11 120.3(3) . . ?
C15 C16 H16 119.8 . . ?
C11 C16 H16 119.8 . . ?
C5 N1 C1 118.9(3) . . ?
C5 N1 Cu1 115.3(2) . . ?
C1 N1 Cu1 125.7(2) . . ?
C7 N2 C6 117.2(2) . . ?
C7 N2 Cu1 127.6(2) . . ?
C6 N2 Cu1 115.24(18) . . ?
C8 N3 C7 128.4(2) . . ?
C8 N3 H3B 115.8 . . ?
C7 N3 H3B 115.8 . . ?
C8 N4 Cu1 127.6(2) . . ?
C8 N4 H4B 116.2 . . ?
Cu1 N4 H4B 116.2 . . ?
C7 N5 H5A 120.0 . . ?
C7 N5 H5B 120.0 . . ?
H5A N5 H5B 120.0 . . ?
C10 O1 Cu1 133.27(19) . . ?
C13 O3 H3A 109.5 . . ?
C14 O4 H4A 109.5 . . ?
C15 O5 H5 109.5 . . ?
C8 O6 C9 118.5(2) . . ?
H7B O7 H7A 104.44(15) . . ?
H8B O8 H8A 104.47(16) . . ?
H10B O9 H10A 104.47(15) . . ?
N4 Cu1 O1 95.33(9) . . ?
N4 Cu1 N2 91.18(10) . . ?
O1 Cu1 N2 172.98(9) . . ?
N4 Cu1 N1 174.04(9) . . ?
O1 Cu1 N1 90.62(9) . . ?
N2 Cu1 N1 82.89(10) . . ?

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
N1 C1 C2 C3 0.0(6) . . . . ?
C1 C2 C3 C4 0.3(6) . . . . ?
C2 C3 C4 C5 -0.7(6) . . . . ?
C3 C4 C5 N1 0.9(5) . . . . ?
C3 C4 C5 C6 -179.5(3) . . . . ?
N1 C5 C6 N2 1.2(4) . . . . ?
C4 C5 C6 N2 -178.4(3) . . . . ?
O2 C10 C11 C12 2.4(4) . . . . ?
O1 C10 C11 C12 -175.9(3) . . . . ?
O2 C10 C11 C16 -179.9(3) . . . . ?
O1 C10 C11 C16 1.9(4) . . . . ?
C16 C11 C12 C13 -1.8(4) . . . . ?
C10 C11 C12 C13 176.0(3) . . . . ?
C11 C12 C13 O3 -178.9(3) . . . . ?
C11 C12 C13 C14 1.8(4) . . . . ?
O3 C13 C14 O4 1.1(4) . . . . ?
C12 C13 C14 O4 -179.6(3) . . . . ?
O3 C13 C14 C15 -179.3(3) . . . . ?
C12 C13 C14 C15 0.0(4) . . . . ?
O4 C14 C15 O5 -2.4(4) . . . . ?
C13 C14 C15 O5 178.1(3) . . . . ?
O4 C14 C15 C16 177.9(3) . . . . ?
C13 C14 C15 C16 -1.7(4) . . . . ?
O5 C15 C16 C11 -178.1(3) . . . . ?
C14 C15 C16 C11 1.6(4) . . . . ?
C12 C11 C16 C15 0.1(4) . . . . ?
C10 C11 C16 C15 -177.7(3) . . . . ?
C4 C5 N1 C1 -0.6(5) . . . . ?
C6 C5 N1 C1 179.8(3) . . . . ?
C4 C5 N1 Cu1 178.1(3) . . . . ?
C6 C5 N1 Cu1 -1.5(3) . . . . ?
C2 C1 N1 C5 0.1(5) . . . . ?
C2 C1 N1 Cu1 -178.4(3) . . . . ?
N5 C7 N2 C6 -0.2(4) . . . . ?
N3 C7 N2 C6 -179.3(3) . . . . ?
N5 C7 N2 Cu1 -178.3(2) . . . . ?
N3 C7 N2 Cu1 2.5(4) . . . . ?
C5 C6 N2 C7 -178.6(3) . . . . ?
C5 C6 N2 Cu1 -0.2(3) . . . . ?
N4 C8 N3 C7 -2.9(5) . . . . ?
O6 C8 N3 C7 177.3(3) . . . . ?
N2 C7 N3 C8 0.6(5) . . . . ?
N5 C7 N3 C8 -178.6(3) . . . . ?
O6 C8 N4 Cu1 -178.5(2) . . . . ?
N3 C8 N4 Cu1 1.8(5) . . . . ?
O2 C10 O1 Cu1 -0.2(5) . . . . ?
C11 C10 O1 Cu1 177.89(18) . . . . ?
N4 C8 O6 C9 -2.1(5) . . . . ?
N3 C8 O6 C9 177.7(3) . . . . ?

_refine_diff_density_max         0.483
_refine_diff_density_min         -0.221
_refine_diff_density_rms         0.068

