# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# 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_Cu2(glu)2(bpa)-2
_database_code_depnum_ccdc_archive 'CCDC 1854146'
loop_
_audit_author_name
_audit_author_address
'Youngmee Kim'
;Ewha Womans University
South Korea
;
_audit_update_record             
;
2019-03-27 deposited with the CCDC.	2019-04-11 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C22 H24 Cu2 N2 O8'
_chemical_formula_weight         571.51

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'
Cu Cu 0.3201 1.2651 '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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'

_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, 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                   24.848(7)
_cell_length_b                   13.263(4)
_cell_length_c                   8.675(2)
_cell_angle_alpha                90
_cell_angle_beta                 92.745(3)
_cell_angle_gamma                90
_cell_volume                     2855.8(14)
_cell_formula_units_Z            4
_cell_measurement_temperature    223(2)
_cell_measurement_reflns_used    5431
_cell_measurement_theta_min      2.89
_cell_measurement_theta_max      26.16

_exptl_crystal_description       plate
_exptl_crystal_colour            blue
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.329
_exptl_crystal_F_000             1168
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.050
_exptl_crystal_size_min          0.020
_exptl_absorpt_coefficient_mu    1.531
_shelx_estimated_absorpt_T_min   0.749
_shelx_estimated_absorpt_T_max   0.970
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.79
_exptl_absorpt_correction_T_max  0.97
_exptl_absorpt_process_details   'SADABS V2012/1 (Bruker AXS Inc.)'

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      223(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            21763
_diffrn_reflns_av_unetI/netI     0.0320
_diffrn_reflns_av_R_equivalents  0.0484
_diffrn_reflns_limit_h_min       -32
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_theta_min         2.894
_diffrn_reflns_theta_max         27.495
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measured_fraction_theta_full 0.980
_diffrn_reflns_Laue_measured_fraction_max 0.984
_diffrn_reflns_Laue_measured_fraction_full 0.980
_diffrn_reflns_point_group_measured_fraction_max 0.984
_diffrn_reflns_point_group_measured_fraction_full 0.980
_reflns_number_total             3231
_reflns_number_gt                2535
_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       'Bruker Instrument Service v2013.12.0.0'
_computing_cell_refinement       'SAINT V8.34A (Bruker AXS Inc., 2013)'
_computing_data_reduction        'SAINT V8.34A (Bruker AXS Inc., 2013)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2015)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

# SQUEEZE RESULTS (Version =  30118)
# Note: Data are Listed for all Voids in the P1 Unit Cell
# i.e. Centre of Gravity, Solvent Accessible Volume,
# Recovered number of Electrons in the Void and
# Details about the Squeezed Material
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.500 0.000 -0.015 378 91 ' '
2 1.000 0.500 -0.031 378 91 ' '
_platon_squeeze_void_probe_radius 1.20
_platon_squeeze_details          ?

_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)+(0.1281P)²+3.1528P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         3231
_refine_ls_number_parameters     206
_refine_ls_number_restraints     36
_refine_ls_R_factor_all          0.0727
_refine_ls_R_factor_gt           0.0569
_refine_ls_wR_factor_ref         0.1849
_refine_ls_wR_factor_gt          0.1702
_refine_ls_goodness_of_fit_ref   1.076
_refine_ls_restrained_S_all      1.076
_refine_ls_shift/su_max          0.000
_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 0.29626(18) 0.7657(3) -0.2547(4) 0.0301(9) Uani 1 1 d . . . . .
C2 C 0.3217(2) 0.7894(3) -0.4064(5) 0.0384(10) Uani 1 1 d . . . . .
H2A H 0.3141 0.7342 -0.4793 0.046 Uiso 1 1 calc R U . . .
H2B H 0.3608 0.7941 -0.3888 0.046 Uiso 1 1 calc R U . . .
C3 C 0.3004(2) 0.8887(3) -0.4777(4) 0.0428(12) Uani 1 1 d . . . . .
H3A H 0.3177 0.9008 -0.5751 0.051 Uiso 1 1 calc R U . . .
H3B H 0.2615 0.8828 -0.5006 0.051 Uiso 1 1 calc R U . . .
C4 C 0.3112(2) 0.9782(3) -0.3698(5) 0.0441(12) Uani 1 1 d . . . . .
H4A H 0.2961 0.9627 -0.2702 0.053 Uiso 1 1 calc R U . . .
H4B H 0.3503 0.9852 -0.3521 0.053 Uiso 1 1 calc R U . . .
C5 C 0.28867(18) 0.9209(3) 0.0745(4) 0.0314(9) Uani 1 1 d . . . . .
C10 C 0.35579(17) 0.5448(4) 0.2508(7) 0.0319(19) Uani 0.681(14) 1 d DG . P A 1
H10 H 0.3270 0.5048 0.2121 0.038 Uiso 0.681(14) 1 calc R U P A 1
N1 N 0.3624(2) 0.6421(4) 0.1951(6) 0.0270(18) Uani 0.681(14) 1 d DG . P A 1
C6 C 0.4051(3) 0.7011(3) 0.2523(7) 0.0348(18) Uani 0.681(14) 1 d DG . P A 1
H6 H 0.4095 0.7669 0.2147 0.042 Uiso 0.681(14) 1 calc R U P A 1
C7 C 0.4411(2) 0.6629(5) 0.3652(7) 0.040(3) Uani 0.681(14) 1 d DG . P A 1
H7 H 0.4699 0.7029 0.4039 0.048 Uiso 0.681(14) 1 calc R U P A 1
C8 C 0.43445(16) 0.5656(5) 0.4208(6) 0.0345(18) Uani 0.681(14) 1 d DG . P A 1
C9 C 0.39181(18) 0.5066(5) 0.3636(8) 0.0364(18) Uani 0.681(14) 1 d DG . P A 1
H9 H 0.3873 0.4408 0.4013 0.044 Uiso 0.681(14) 1 calc R U P A 1
C11 C 0.4759(3) 0.5224(8) 0.5385(8) 0.046(2) Uani 0.681(14) 1 d D . P A 1
H11A H 0.4883 0.5760 0.6094 0.055 Uiso 0.681(14) 1 calc R U P A 1
H11B H 0.4588 0.4701 0.5992 0.055 Uiso 0.681(14) 1 calc R U P A 1
Cu1 Cu 0.29480(2) 0.70624(3) 0.05595(5) 0.0259(2) Uani 1 1 d D . . . .
O1 O 0.32486(14) 0.7237(2) -0.1504(3) 0.0389(7) Uani 1 1 d . . . . .
O2 O 0.25133(15) 0.7088(2) 0.2431(4) 0.0412(8) Uani 1 1 d . . . . .
O3 O 0.25734(12) 0.5809(2) -0.0118(3) 0.0348(7) Uani 1 1 d . . . . .
O4 O 0.31858(14) 0.8454(2) 0.0997(4) 0.0461(8) Uani 1 1 d . . . . .
C10A C 0.3572(6) 0.5219(12) 0.187(2) 0.046(5) Uani 0.319(14) 1 d D . P A 2
H10A H 0.3338 0.4842 0.1212 0.055 Uiso 0.319(14) 1 calc R U P A 2
N1A N 0.3543(6) 0.6266(11) 0.1898(18) 0.023(3) Uani 0.319(14) 1 d D U P A 2
C6A C 0.3933(5) 0.6780(9) 0.2690(15) 0.013(3) Uani 0.319(14) 1 d D U P A 2
H6A H 0.3934 0.7487 0.2617 0.015 Uiso 0.319(14) 1 calc R U P A 2
C7A C 0.4338(7) 0.6314(12) 0.362(2) 0.028(4) Uani 0.319(14) 1 d D . P A 2
H7A H 0.4594 0.6700 0.4187 0.033 Uiso 0.319(14) 1 calc R U P A 2
C8A C 0.4352(5) 0.5253(9) 0.3670(17) 0.025(3) Uani 0.319(14) 1 d D U P A 2
C9A C 0.3949(6) 0.4743(11) 0.284(2) 0.042(5) Uani 0.319(14) 1 d D . P A 2
H9A H 0.3931 0.4038 0.2933 0.051 Uiso 0.319(14) 1 calc R U P A 2
C11A C 0.4789(5) 0.4686(11) 0.4606(18) 0.036(4) Uani 0.319(14) 1 d D . P A 2
H11C H 0.4616 0.4282 0.5388 0.043 Uiso 0.319(14) 1 calc R U P A 2
H11D H 0.4964 0.4217 0.3916 0.043 Uiso 0.319(14) 1 calc R U P A 2


_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 O2 1.239(6) 7_565 ?
C1 O1 1.254(5) . ?
C1 C2 1.519(6) . ?
C2 C3 1.538(5) . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C3 C4 1.527(6) . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C4 C5 1.521(5) 6_575 ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C5 O3 1.242(5) 7_565 ?
C5 O4 1.260(5) . ?
C5 C4 1.521(5) 6_576 ?
C10 N1 1.3900 . ?
C10 C9 1.3900 . ?
C10 H10 0.9400 . ?
N1 C6 1.3900 . ?
N1 Cu1 2.193(3) . ?
C6 C7 1.3900 . ?
C6 H6 0.9400 . ?
C7 C8 1.3900 . ?
C7 H7 0.9400 . ?
C8 C9 1.3900 . ?
C8 C11 1.527(6) . ?
C9 H9 0.9400 . ?
C11 C11 1.519(16) 5_666 ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
Cu1 O4 1.969(3) . ?
Cu1 O3 1.981(3) . ?
Cu1 O1 1.986(3) . ?
Cu1 O2 1.993(3) . ?
Cu1 N1A 2.117(11) . ?
Cu1 Cu1 2.6531(10) 7_565 ?
O2 C1 1.239(6) 7_565 ?
O3 C5 1.242(5) 7_565 ?
C10A C9A 1.379(14) . ?
C10A N1A 1.391(15) . ?
C10A H10A 0.9400 . ?
N1A C6A 1.347(14) . ?
C6A C7A 1.400(13) . ?
C6A H6A 0.9400 . ?
C7A C8A 1.408(14) . ?
C7A H7A 0.9400 . ?
C8A C9A 1.384(13) . ?
C8A C11A 1.523(13) . ?
C9A H9A 0.9400 . ?
C11A C11A 1.48(3) 5_666 ?
C11A H11C 0.9800 . ?
C11A H11D 0.9800 . ?

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
O2 C1 O1 124.9(4) 7_565 . ?
O2 C1 C2 116.9(4) 7_565 . ?
O1 C1 C2 118.2(4) . . ?
C1 C2 C3 112.1(4) . . ?
C1 C2 H2A 109.2 . . ?
C3 C2 H2A 109.2 . . ?
C1 C2 H2B 109.2 . . ?
C3 C2 H2B 109.2 . . ?
H2A C2 H2B 107.9 . . ?
C4 C3 C2 111.8(3) . . ?
C4 C3 H3A 109.3 . . ?
C2 C3 H3A 109.3 . . ?
C4 C3 H3B 109.3 . . ?
C2 C3 H3B 109.3 . . ?
H3A C3 H3B 107.9 . . ?
C5 C4 C3 115.9(3) 6_575 . ?
C5 C4 H4A 108.3 6_575 . ?
C3 C4 H4A 108.3 . . ?
C5 C4 H4B 108.3 6_575 . ?
C3 C4 H4B 108.3 . . ?
H4A C4 H4B 107.4 . . ?
O3 C5 O4 125.7(4) 7_565 . ?
O3 C5 C4 118.3(4) 7_565 6_576 ?
O4 C5 C4 116.0(4) . 6_576 ?
N1 C10 C9 120.0 . . ?
N1 C10 H10 120.0 . . ?
C9 C10 H10 120.0 . . ?
C6 N1 C10 120.0 . . ?
C6 N1 Cu1 121.9(3) . . ?
C10 N1 Cu1 116.8(3) . . ?
N1 C6 C7 120.0 . . ?
N1 C6 H6 120.0 . . ?
C7 C6 H6 120.0 . . ?
C6 C7 C8 120.0 . . ?
C6 C7 H7 120.0 . . ?
C8 C7 H7 120.0 . . ?
C7 C8 C9 120.0 . . ?
C7 C8 C11 119.6(5) . . ?
C9 C8 C11 120.4(5) . . ?
C8 C9 C10 120.0 . . ?
C8 C9 H9 120.0 . . ?
C10 C9 H9 120.0 . . ?
C11 C11 C8 111.9(6) 5_666 . ?
C11 C11 H11A 109.2 5_666 . ?
C8 C11 H11A 109.2 . . ?
C11 C11 H11B 109.2 5_666 . ?
C8 C11 H11B 109.2 . . ?
H11A C11 H11B 107.9 . . ?
O4 Cu1 O3 167.47(13) . . ?
O4 Cu1 O1 86.67(15) . . ?
O3 Cu1 O1 91.27(13) . . ?
O4 Cu1 O2 89.78(15) . . ?
O3 Cu1 O2 89.48(13) . . ?
O1 Cu1 O2 166.96(12) . . ?
O4 Cu1 N1A 99.6(5) . . ?
O3 Cu1 N1A 92.9(4) . . ?
O1 Cu1 N1A 105.7(5) . . ?
O2 Cu1 N1A 87.3(5) . . ?
O4 Cu1 N1 92.46(19) . . ?
O3 Cu1 N1 100.04(18) . . ?
O1 Cu1 N1 103.31(19) . . ?
O2 Cu1 N1 89.36(19) . . ?
O4 Cu1 Cu1 84.22(9) . 7_565 ?
O3 Cu1 Cu1 83.36(9) . 7_565 ?
O1 Cu1 Cu1 87.96(10) . 7_565 ?
O2 Cu1 Cu1 79.19(10) . 7_565 ?
N1A Cu1 Cu1 166.0(5) . 7_565 ?
N1 Cu1 Cu1 168.08(17) . 7_565 ?
C1 O1 Cu1 118.5(3) . . ?
C1 O2 Cu1 128.9(3) 7_565 . ?
C5 O3 Cu1 123.8(3) 7_565 . ?
C5 O4 Cu1 122.8(3) . . ?
C9A C10A N1A 118.8(14) . . ?
C9A C10A H10A 120.6 . . ?
N1A C10A H10A 120.6 . . ?
C6A N1A C10A 118.4(11) . . ?
C6A N1A Cu1 119.6(10) . . ?
C10A N1A Cu1 121.7(10) . . ?
N1A C6A C7A 123.3(11) . . ?
N1A C6A H6A 118.3 . . ?
C7A C6A H6A 118.3 . . ?
C6A C7A C8A 118.4(12) . . ?
C6A C7A H7A 120.8 . . ?
C8A C7A H7A 120.8 . . ?
C9A C8A C7A 117.0(10) . . ?
C9A C8A C11A 121.1(10) . . ?
C7A C8A C11A 121.9(11) . . ?
C10A C9A C8A 123.2(12) . . ?
C10A C9A H9A 118.4 . . ?
C8A C9A H9A 118.4 . . ?
C11A C11A C8A 116.0(14) 5_666 . ?
C11A C11A H11C 108.3 5_666 . ?
C8A C11A H11C 108.3 . . ?
C11A C11A H11D 108.3 5_666 . ?
C8A C11A H11D 108.3 . . ?
H11C C11A H11D 107.4 . . ?

_refine_diff_density_max         1.760
_refine_diff_density_min         -0.686
_refine_diff_density_rms         0.145

_shelxl_version_number           2013-4

####################################################################### 
# 
# 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_Cu2(Glu)2(bpy)-1
_database_code_depnum_ccdc_archive 'CCDC 1856343'
loop_
_audit_author_name
_audit_author_address
'Youngmee Kim'
;Ewha Womans University
South Korea
;
_audit_update_record             
;
2018-07-17 deposited with the CCDC.	2019-04-11 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C20 H26 Cu2 N2 O11'
_chemical_formula_weight         597.51

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'
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           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'

_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, 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                   21.4360(4)
_cell_length_b                   13.2468(3)
_cell_length_c                   8.5784(2)
_cell_angle_alpha                90
_cell_angle_beta                 101.0590(13)
_cell_angle_gamma                90
_cell_volume                     2390.67(9)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    2607
_cell_measurement_theta_min      2.87
_cell_measurement_theta_max      22.77

_exptl_crystal_description       block
_exptl_crystal_colour            blue
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.660
_exptl_crystal_F_000             1224
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.080
_exptl_crystal_size_mid          0.050
_exptl_crystal_size_min          0.040
_exptl_absorpt_coefficient_mu    1.841
_shelx_estimated_absorpt_T_min   0.867
_shelx_estimated_absorpt_T_max   0.930
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.87
_exptl_absorpt_correction_T_max  0.93
_exptl_absorpt_process_details   'SADABS V2012/1 (Bruker AXS Inc.)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            22559
_diffrn_reflns_av_unetI/netI     0.0655
_diffrn_reflns_av_R_equivalents  0.0929
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_theta_min         1.817
_diffrn_reflns_theta_max         28.483
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             3030
_reflns_number_gt                2154
_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       'Bruker Instrument Service v2013.12.0.0'
_computing_cell_refinement       'SAINT V8.34A (Bruker AXS Inc., 2013)'
_computing_data_reduction        'SAINT V8.34A (Bruker AXS Inc., 2013)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2015)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_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)+(0.0279P)²+6.0429P] 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         3030
_refine_ls_number_parameters     168
_refine_ls_number_restraints     3
_refine_ls_R_factor_all          0.0822
_refine_ls_R_factor_gt           0.0489
_refine_ls_wR_factor_ref         0.0933
_refine_ls_wR_factor_gt          0.0823
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_restrained_S_all      1.027
_refine_ls_shift/su_max          0.001
_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 0.19563(17) 0.2329(2) 0.2380(4) 0.0217(7) Uani 1 1 d . . . . .
C2 C 0.16481(17) 0.2083(3) 0.3774(4) 0.0261(8) Uani 1 1 d . . . . .
H2A H 0.1191 0.2052 0.3415 0.031 Uiso 1 1 calc R U . . .
H2B H 0.1738 0.2621 0.4552 0.031 Uiso 1 1 calc R U . . .
C3 C 0.18794(19) 0.1085(3) 0.4565(4) 0.0285(8) Uani 1 1 d . . . . .
H3A H 0.2331 0.1133 0.4998 0.034 Uiso 1 1 calc R U . . .
H3B H 0.1662 0.0960 0.5439 0.034 Uiso 1 1 calc R U . . .
C4 C 0.17611(19) -0.0207(3) -0.1593(4) 0.0284(8) Uani 1 1 d . . . . .
H4A H 0.1942 -0.0373 -0.2514 0.034 Uiso 1 1 calc R U . . .
H4B H 0.1306 -0.0133 -0.1951 0.034 Uiso 1 1 calc R U . . .
C5 C 0.20271(17) 0.0793(2) -0.0952(4) 0.0213(7) Uani 1 1 d . . . . .
C6 C 0.42588(18) 0.1781(3) 0.3263(4) 0.0333(9) Uani 1 1 d . . . . .
H6 H 0.4262 0.2482 0.3212 0.040 Uiso 1 1 calc R U . . .
C7 C 0.47335(18) 0.1314(3) 0.4329(4) 0.0317(9) Uani 1 1 d . . . . .
H7 H 0.5045 0.1697 0.4971 0.038 Uiso 1 1 calc R U . . .
C8 C 0.47441(16) 0.0269(3) 0.4441(4) 0.0233(8) Uani 1 1 d . . . . .
C9 C 0.42611(19) -0.0235(3) 0.3467(5) 0.0432(11) Uani 1 1 d . . . . .
H9 H 0.4243 -0.0936 0.3511 0.052 Uiso 1 1 calc R U . . .
C10 C 0.38020(19) 0.0286(3) 0.2422(5) 0.0405(10) Uani 1 1 d . . . . .
H10 H 0.3483 -0.0080 0.1775 0.049 Uiso 1 1 calc R U . . .
Cu1 Cu 0.30239(2) 0.20577(3) 0.07615(4) 0.01810(12) Uani 1 1 d . . . . .
N1 N 0.37966(13) 0.1290(2) 0.2302(3) 0.0240(6) Uani 1 1 d . . . . .
O1 O 0.25246(11) 0.20848(19) 0.2478(3) 0.0296(6) Uani 1 1 d . . . . .
O2 O 0.33796(12) 0.22453(19) -0.1186(3) 0.0328(6) Uani 1 1 d . . . . .
O3 O 0.25715(12) 0.08214(18) -0.0111(3) 0.0309(6) Uani 1 1 d . . . . .
O4 O 0.33208(11) 0.34397(17) 0.1344(3) 0.0291(6) Uani 1 1 d . . . . .
O1W O 1.0000 0.9762(5) 0.7500 0.096(2) Uani 1 2 d DS T P . .
H11 H 0.996(4) 0.919(3) 0.818(7) 0.144 Uiso 1 1 d D U . . .
O2W O 0.0436(2) 0.1267(4) 1.0020(6) 0.0970(14) Uani 1 1 d D . . . .
H21 H 0.081(2) 0.162(5) 0.984(9) 0.145 Uiso 1 1 d D U . . .
H22 H 0.027(3) 0.093(5) 0.901(5) 0.145 Uiso 1 1 d D U . . .


_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 O1 1.248(4) . ?
C1 O2 1.266(4) 7 ?
C1 C2 1.509(4) . ?
C2 C3 1.524(5) . ?
C2 H2A 0.9700 . ?
C2 H2B 0.9700 . ?
C3 C4 1.520(5) 6_556 ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
C4 C5 1.503(5) . ?
C4 C3 1.520(5) 6 ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C5 O3 1.249(4) . ?
C5 O4 1.268(4) 7 ?
C6 N1 1.330(4) . ?
C6 C7 1.377(5) . ?
C6 H6 0.9300 . ?
C7 C8 1.387(5) . ?
C7 H7 0.9300 . ?
C8 C9 1.373(5) . ?
C8 C8 1.493(6) 5_656 ?
C9 C10 1.382(5) . ?
C9 H9 0.9300 . ?
C10 N1 1.335(5) . ?
C10 H10 0.9300 . ?
Cu1 O4 1.971(2) . ?
Cu1 O3 1.976(2) . ?
Cu1 O1 1.980(2) . ?
Cu1 O2 1.981(2) . ?
Cu1 N1 2.164(3) . ?
Cu1 Cu1 2.6457(8) 7 ?
O2 C1 1.266(4) 7 ?
O4 C5 1.268(4) 7 ?
O1W H11 0.97(2) . ?
O2W H21 0.95(2) . ?
O2W H22 0.98(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
O1 C1 O2 124.5(3) . 7 ?
O1 C1 C2 117.5(3) . . ?
O2 C1 C2 118.0(3) 7 . ?
C1 C2 C3 112.7(3) . . ?
C1 C2 H2A 109.1 . . ?
C3 C2 H2A 109.1 . . ?
C1 C2 H2B 109.1 . . ?
C3 C2 H2B 109.1 . . ?
H2A C2 H2B 107.8 . . ?
C4 C3 C2 112.0(3) 6_556 . ?
C4 C3 H3A 109.2 6_556 . ?
C2 C3 H3A 109.2 . . ?
C4 C3 H3B 109.2 6_556 . ?
C2 C3 H3B 109.2 . . ?
H3A C3 H3B 107.9 . . ?
C5 C4 C3 115.6(3) . 6 ?
C5 C4 H4A 108.4 . . ?
C3 C4 H4A 108.4 6 . ?
C5 C4 H4B 108.4 . . ?
C3 C4 H4B 108.4 6 . ?
H4A C4 H4B 107.4 . . ?
O3 C5 O4 124.4(3) . 7 ?
O3 C5 C4 119.0(3) . . ?
O4 C5 C4 116.6(3) 7 . ?
N1 C6 C7 124.1(3) . . ?
N1 C6 H6 118.0 . . ?
C7 C6 H6 118.0 . . ?
C6 C7 C8 119.6(3) . . ?
C6 C7 H7 120.2 . . ?
C8 C7 H7 120.2 . . ?
C9 C8 C7 116.3(3) . . ?
C9 C8 C8 122.3(4) . 5_656 ?
C7 C8 C8 121.4(4) . 5_656 ?
C8 C9 C10 120.8(3) . . ?
C8 C9 H9 119.6 . . ?
C10 C9 H9 119.6 . . ?
N1 C10 C9 122.9(4) . . ?
N1 C10 H10 118.6 . . ?
C9 C10 H10 118.6 . . ?
O4 Cu1 O3 167.70(10) . . ?
O4 Cu1 O1 89.37(10) . . ?
O3 Cu1 O1 90.03(11) . . ?
O4 Cu1 O2 86.53(11) . . ?
O3 Cu1 O2 91.43(11) . . ?
O1 Cu1 O2 167.31(10) . . ?
O4 Cu1 N1 96.29(10) . . ?
O3 Cu1 N1 96.00(10) . . ?
O1 Cu1 N1 90.81(10) . . ?
O2 Cu1 N1 101.57(10) . . ?
O4 Cu1 Cu1 85.18(7) . 7 ?
O3 Cu1 Cu1 82.61(7) . 7 ?
O1 Cu1 Cu1 80.23(7) . 7 ?
O2 Cu1 Cu1 87.45(7) . 7 ?
N1 Cu1 Cu1 170.92(8) . 7 ?
C6 N1 C10 116.4(3) . . ?
C6 N1 Cu1 122.8(2) . . ?
C10 N1 Cu1 120.7(2) . . ?
C1 O1 Cu1 128.0(2) . . ?
C1 O2 Cu1 119.1(2) 7 . ?
C5 O3 Cu1 125.5(2) . . ?
C5 O4 Cu1 122.2(2) 7 . ?
H21 O2W H22 105(6) . . ?

_refine_diff_density_max         0.450
_refine_diff_density_min         -0.495
_refine_diff_density_rms         0.102

_shelxl_version_number           2013-4

####################################################################### 
# 
# 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_Cu2(glu)2(bpe)-3
_database_code_depnum_ccdc_archive 'CCDC 1854148'
loop_
_audit_author_name
_audit_author_address
'Youngmee Kim'
;Ewha Womans University
South Korea
;
_audit_update_record             
;
2019-03-27 deposited with the CCDC.	2019-04-11 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C22 H22 Cu2 N2 O8'
_chemical_formula_weight         569.49

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'
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           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'

_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, 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                   25.027(14)
_cell_length_b                   13.234(8)
_cell_length_c                   8.547(5)
_cell_angle_alpha                90
_cell_angle_beta                 91.708(5)
_cell_angle_gamma                90
_cell_volume                     2829(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    2137
_cell_measurement_theta_min      2.93
_cell_measurement_theta_max      21.52

_exptl_crystal_description       needle
_exptl_crystal_colour            blue
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.337
_exptl_crystal_F_000             1160
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.020
_exptl_crystal_size_min          0.020
_exptl_absorpt_coefficient_mu    1.545
_shelx_estimated_absorpt_T_min   0.801
_shelx_estimated_absorpt_T_max   0.970
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.963
_exptl_absorpt_correction_T_max  0.969
_exptl_absorpt_process_details   'SADABS V2012/1 (Bruker AXS Inc.)'

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            19188
_diffrn_reflns_av_unetI/netI     0.0731
_diffrn_reflns_av_R_equivalents  0.0866
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_h_max       33
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_theta_min         2.887
_diffrn_reflns_theta_max         28.749
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             3654
_reflns_number_gt                2514
_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       'Bruker Instrument Service v2013.12.0.0'
_computing_cell_refinement       'SAINT V8.34A (Bruker AXS Inc., 2013)'
_computing_data_reduction        'SAINT V8.34A (Bruker AXS Inc., 2013)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2015)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

# SQUEEZE RESULTS (Version =  30118)
# Note: Data are Listed for all Voids in the P1 Unit Cell
# i.e. Centre of Gravity, Solvent Accessible Volume,
# Recovered number of Electrons in the Void and
# Details about the Squeezed Material
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.500 0.000 -0.018 393 118 ' '
2 0.000 0.500 -0.026 393 118 ' '
_platon_squeeze_void_probe_radius 1.20
_platon_squeeze_details          ?

_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)+(0.0412P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         3654
_refine_ls_number_parameters     154
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0697
_refine_ls_R_factor_gt           0.0422
_refine_ls_wR_factor_ref         0.0933
_refine_ls_wR_factor_gt          0.0857
_refine_ls_goodness_of_fit_ref   0.932
_refine_ls_restrained_S_all      0.932
_refine_ls_shift/su_max          0.000
_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 0.20471(11) 0.26620(18) 0.2624(3) 0.0193(6) Uani 1 1 d . . . . .
C2 C 0.17885(12) 0.28968(19) 0.4163(3) 0.0235(6) Uani 1 1 d . . . . .
H2A H 0.1868 0.2356 0.4900 0.028 Uiso 1 1 calc R U . . .
H2B H 0.1404 0.2924 0.3995 0.028 Uiso 1 1 calc R U . . .
C3 C 0.19832(12) 0.39014(19) 0.4868(3) 0.0244(6) Uani 1 1 d . . . . .
H3A H 0.1802 0.4026 0.5837 0.029 Uiso 1 1 calc R U . . .
H3B H 0.2364 0.3859 0.5108 0.029 Uiso 1 1 calc R U . . .
C4 C 0.31255(13) -0.02193(19) 0.1265(3) 0.0286(7) Uani 1 1 d . . . . .
H4A H 0.2976 -0.0387 0.2266 0.034 Uiso 1 1 calc R U . . .
H4B H 0.3509 -0.0152 0.1429 0.034 Uiso 1 1 calc R U . . .
C5 C 0.29023(12) 0.0790(2) 0.0735(3) 0.0221(6) Uani 1 1 d . . . . .
C6 C 0.39839(13) 0.3179(2) 0.2535(4) 0.0327(7) Uani 1 1 d . . . . .
H6 H 0.3988 0.2481 0.2413 0.039 Uiso 1 1 calc R U . . .
C7 C 0.43794(13) 0.3617(2) 0.3477(4) 0.0347(7) Uani 1 1 d . . . . .
H7 H 0.4641 0.3219 0.3965 0.042 Uiso 1 1 calc R U . . .
C8 C 0.43801(12) 0.4664(2) 0.3685(3) 0.0289(7) Uani 1 1 d . . . . .
C9 C 0.39719(12) 0.5201(2) 0.2937(4) 0.0379(8) Uani 1 1 d . . . . .
H9 H 0.3952 0.5898 0.3050 0.045 Uiso 1 1 calc R U . . .
C10 C 0.35950(12) 0.4697(2) 0.2024(4) 0.0343(8) Uani 1 1 d . . . . .
H10 H 0.3323 0.5073 0.1542 0.041 Uiso 1 1 calc R U . . .
C11 C 0.47941(12) 0.5198(2) 0.4639(4) 0.0365(8) Uani 1 1 d . . . . .
H11 H 0.4755 0.5894 0.4730 0.044 Uiso 1 1 calc R U . . .
Cu1 Cu 0.29427(2) 0.29458(2) 0.05515(4) 0.01778(10) Uani 1 1 d . . . . .
N1 N 0.35977(9) 0.36973(17) 0.1793(3) 0.0243(5) Uani 1 1 d . . . . .
O1 O 0.32374(8) 0.27622(15) -0.1552(2) 0.0310(5) Uani 1 1 d . . . . .
O2 O 0.25266(8) 0.29129(14) 0.2480(2) 0.0274(4) Uani 1 1 d . . . . .
O3 O 0.31905(8) 0.15555(13) 0.0998(2) 0.0286(5) Uani 1 1 d . . . . .
O4 O 0.25602(8) 0.41871(12) -0.0123(2) 0.0292(5) 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 O2 1.255(3) . ?
C1 O1 1.274(3) 7 ?
C1 C2 1.515(4) . ?
C2 C3 1.533(3) . ?
C2 H2A 0.9700 . ?
C2 H2B 0.9700 . ?
C3 C4 1.533(4) 4 ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
C4 C5 1.512(4) . ?
C4 C3 1.533(4) 4_545 ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C5 O4 1.256(3) 7 ?
C5 O3 1.260(3) . ?
C6 N1 1.330(4) . ?
C6 C7 1.384(4) . ?
C6 H6 0.9300 . ?
C7 C8 1.397(4) . ?
C7 H7 0.9300 . ?
C8 C9 1.385(4) . ?
C8 C11 1.479(4) . ?
C9 C10 1.378(4) . ?
C9 H9 0.9300 . ?
C10 N1 1.337(3) . ?
C10 H10 0.9300 . ?
C11 C11 1.296(6) 5_666 ?
C11 H11 0.9300 . ?
Cu1 O3 1.975(2) . ?
Cu1 O2 1.976(2) . ?
Cu1 O4 1.978(2) . ?
Cu1 O1 1.979(2) . ?
Cu1 N1 2.168(2) . ?
Cu1 Cu1 2.6581(13) 7 ?
O1 C1 1.274(3) 7 ?
O4 C5 1.256(3) 7 ?

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
O2 C1 O1 124.2(3) . 7 ?
O2 C1 C2 117.7(2) . . ?
O1 C1 C2 118.1(2) 7 . ?
C1 C2 C3 112.3(2) . . ?
C1 C2 H2A 109.1 . . ?
C3 C2 H2A 109.1 . . ?
C1 C2 H2B 109.1 . . ?
C3 C2 H2B 109.1 . . ?
H2A C2 H2B 107.9 . . ?
C4 C3 C2 111.2(2) 4 . ?
C4 C3 H3A 109.4 4 . ?
C2 C3 H3A 109.4 . . ?
C4 C3 H3B 109.4 4 . ?
C2 C3 H3B 109.4 . . ?
H3A C3 H3B 108.0 . . ?
C5 C4 C3 115.1(2) . 4_545 ?
C5 C4 H4A 108.5 . . ?
C3 C4 H4A 108.5 4_545 . ?
C5 C4 H4B 108.5 . . ?
C3 C4 H4B 108.5 4_545 . ?
H4A C4 H4B 107.5 . . ?
O4 C5 O3 124.8(2) 7 . ?
O4 C5 C4 118.3(2) 7 . ?
O3 C5 C4 116.9(2) . . ?
N1 C6 C7 124.0(3) . . ?
N1 C6 H6 118.0 . . ?
C7 C6 H6 118.0 . . ?
C6 C7 C8 119.2(3) . . ?
C6 C7 H7 120.4 . . ?
C8 C7 H7 120.4 . . ?
C9 C8 C7 116.9(3) . . ?
C9 C8 C11 120.3(3) . . ?
C7 C8 C11 122.9(3) . . ?
C10 C9 C8 119.8(3) . . ?
C10 C9 H9 120.1 . . ?
C8 C9 H9 120.1 . . ?
N1 C10 C9 123.7(3) . . ?
N1 C10 H10 118.1 . . ?
C9 C10 H10 118.1 . . ?
C11 C11 C8 127.1(4) 5_666 . ?
C11 C11 H11 116.5 5_666 . ?
C8 C11 H11 116.5 . . ?
O3 Cu1 O2 89.33(8) . . ?
O3 Cu1 O4 167.46(8) . . ?
O2 Cu1 O4 89.94(9) . . ?
O3 Cu1 O1 86.44(9) . . ?
O2 Cu1 O1 167.21(8) . . ?
O4 Cu1 O1 91.57(9) . . ?
O3 Cu1 N1 95.98(9) . . ?
O2 Cu1 N1 90.64(9) . . ?
O4 Cu1 N1 96.55(9) . . ?
O1 Cu1 N1 101.79(9) . . ?
O3 Cu1 Cu1 84.76(6) . 7 ?
O2 Cu1 Cu1 80.31(7) . 7 ?
O4 Cu1 Cu1 82.78(7) . 7 ?
O1 Cu1 Cu1 87.28(6) . 7 ?
N1 Cu1 Cu1 170.92(6) . 7 ?
C6 N1 C10 116.5(2) . . ?
C6 N1 Cu1 121.67(19) . . ?
C10 N1 Cu1 121.25(19) . . ?
C1 O1 Cu1 119.48(18) 7 . ?
C1 O2 Cu1 128.09(18) . . ?
C5 O3 Cu1 122.66(18) . . ?
C5 O4 Cu1 124.98(17) 7 . ?

_refine_diff_density_max         0.456
_refine_diff_density_min         -0.572
_refine_diff_density_rms         0.089

_shelxl_version_number           2013-4

####################################################################### 
# 
# 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_Cu2(glu)2(bpp)-4
_database_code_depnum_ccdc_archive 'CCDC 1856345'
loop_
_audit_author_name
_audit_author_address
'Youngmee Kim'
;Ewha Womans University
South Korea
;
_audit_update_record             
;
2019-03-27 deposited with the CCDC.	2019-04-11 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C23 H26 Cu2 N2 O8'
_chemical_formula_weight         585.54

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'
Cu Cu 0.3201 1.2651 '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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'

_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, 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                   28.395(2)
_cell_length_b                   13.1332(8)
_cell_length_c                   8.7389(6)
_cell_angle_alpha                90
_cell_angle_beta                 107.553(6)
_cell_angle_gamma                90
_cell_volume                     3107.2(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    9760
_cell_measurement_theta_min      2.7387
_cell_measurement_theta_max      28.1868

_exptl_crystal_description       plate
_exptl_crystal_colour            blue
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.252
_exptl_crystal_F_000             1200
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.280
_exptl_crystal_size_min          0.060
_exptl_absorpt_coefficient_mu    1.408
_shelx_estimated_absorpt_T_min   0.603
_shelx_estimated_absorpt_T_max   0.920
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.68
_exptl_absorpt_correction_T_max  0.92
_exptl_absorpt_process_details   'SADABS V2012/1 (Bruker AXS Inc.)'

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            48703
_diffrn_reflns_av_unetI/netI     0.0213
_diffrn_reflns_av_R_equivalents  0.0488
_diffrn_reflns_limit_h_min       -36
_diffrn_reflns_limit_h_max       36
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_theta_min         1.723
_diffrn_reflns_theta_max         27.495
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 1.004
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 1.004
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 1.004
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             3567
_reflns_number_gt                3290
_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       'Bruker Instrument Service v2013.12.0.0'
_computing_cell_refinement       'SAINT V8.34A (Bruker AXS Inc., 2013)'
_computing_data_reduction        'SAINT V8.34A (Bruker AXS Inc., 2013)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2015)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

# SQUEEZE RESULTS (Version = 141217)
# Note: Data are Listed for all Voids in the P1 Unit Cell
# i.e. Centre of Gravity, Solvent Accessible Volume,
# Recovered number of Electrons in the Void and
# Details about the Squeezed Material
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.000 0.000 -0.020 477 132 ' '
2 0.500 0.500 0.080 477 132 ' '
# Missing Reflections Below sin(th)/lambda = 0.25
loop_
_platon_missing_refln_index_h
_platon_missing_refln_index_k
_platon_missing_refln_index_l
_platon_missing_refln_theta
2 0 0 1.504
-2 0 4 9.474
_platon_squeeze_void_probe_radius 1.20
_platon_squeeze_details          ?

_refine_special_details          
;
 Refined as a 2-component twin.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1642P)²+11.9746P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         3567
_refine_ls_number_parameters     160
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0721
_refine_ls_R_factor_gt           0.0661
_refine_ls_wR_factor_ref         0.2232
_refine_ls_wR_factor_gt          0.2075
_refine_ls_goodness_of_fit_ref   1.098
_refine_ls_restrained_S_all      1.098
_refine_ls_shift/su_max          0.000
_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 0.2914(2) 0.2662(4) -0.2199(6) 0.0260(9) Uani 1 1 d . . . . .
C2 C 0.3154(3) 0.2880(4) -0.3503(8) 0.0312(13) Uani 1 1 d . . . . .
H2A H 0.3077 0.2332 -0.4283 0.037 Uiso 1 1 calc R U . . .
H2B H 0.3510 0.2899 -0.3027 0.037 Uiso 1 1 calc R U . . .
C3 C 0.2979(2) 0.6108(4) 0.0642(6) 0.0335(12) Uani 1 1 d . . . . .
H3A H 0.2626 0.6141 0.0118 0.040 Uiso 1 1 calc R U . . .
H3B H 0.3140 0.6001 -0.0179 0.040 Uiso 1 1 calc R U . . .
C4 C 0.3091(3) 0.5216(4) 0.1794(8) 0.0365(13) Uani 1 1 d . . . . .
H4A H 0.2962 0.5368 0.2678 0.044 Uiso 1 1 calc R U . . .
H4B H 0.3446 0.5150 0.2232 0.044 Uiso 1 1 calc R U . . .
C5 C 0.2881(2) 0.4198(4) 0.1071(6) 0.0254(10) Uani 1 1 d . . . . .
C6 C 0.3515(2) 0.0247(4) 0.2748(8) 0.0358(13) Uani 1 1 d . . . . .
H6 H 0.3274 -0.0131 0.2010 0.043 Uiso 1 1 calc R U . . .
C7 C 0.3865(2) -0.0266(4) 0.3926(8) 0.0345(13) Uani 1 1 d . . . . .
H7 H 0.3859 -0.0973 0.3966 0.041 Uiso 1 1 calc R U . . .
C8 C 0.42275(18) 0.0269(4) 0.5052(6) 0.0263(10) Uani 1 1 d . . . . .
C9 C 0.4205(2) 0.1313(5) 0.4939(8) 0.0383(14) Uani 1 1 d . . . . .
H9 H 0.4436 0.1708 0.5685 0.046 Uiso 1 1 calc R U . . .
C10 C 0.3842(2) 0.1777(5) 0.3725(8) 0.0383(14) Uani 1 1 d . . . . .
H10 H 0.3835 0.2485 0.3683 0.046 Uiso 1 1 calc R U . . .
C11 C 0.46164(19) -0.0302(4) 0.6330(6) 0.0298(11) Uani 1 1 d . . . . .
H11A H 0.4786 -0.0762 0.5803 0.036 Uiso 1 1 calc R U . . .
H11B H 0.4452 -0.0714 0.6935 0.036 Uiso 1 1 calc R U . . .
C12 C 0.5000 0.0351(7) 0.7500 0.0311(16) Uani 1 2 d S T P . .
H12A H 0.5161 0.0785 0.6911 0.037 Uiso 0.5 1 calc R U P . .
H12B H 0.4839 0.0785 0.8089 0.037 Uiso 0.5 1 calc R U P . .
Cu1 Cu 0.29057(3) 0.20413(4) 0.08896(8) 0.0223(2) Uani 1 1 d . . . . .
N1 N 0.35018(17) 0.1262(4) 0.2608(6) 0.0286(9) Uani 1 1 d . . . . .
O1 O 0.31776(19) 0.2239(4) -0.0935(6) 0.0398(10) Uani 1 1 d . . . . .
O2 O 0.25262(19) 0.2074(3) 0.2455(6) 0.0359(10) Uani 1 1 d . . . . .
O3 O 0.31429(16) 0.3431(3) 0.1555(6) 0.0370(10) Uani 1 1 d . . . . .
O4 O 0.25436(17) 0.0806(3) -0.0100(5) 0.0380(10) 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 O2 1.252(8) 7 ?
C1 O1 1.261(7) . ?
C1 C2 1.521(8) . ?
C2 C3 1.534(7) 6_565 ?
C2 H2A 0.9700 . ?
C2 H2B 0.9700 . ?
C3 C4 1.514(8) . ?
C3 C2 1.533(7) 6_566 ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
C4 C5 1.521(7) . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C5 O4 1.247(7) 7 ?
C5 O3 1.249(7) . ?
C6 N1 1.339(7) . ?
C6 C7 1.373(7) . ?
C6 H6 0.9300 . ?
C7 C8 1.382(7) . ?
C7 H7 0.9300 . ?
C8 C9 1.375(8) . ?
C8 C11 1.511(7) . ?
C9 C10 1.378(8) . ?
C9 H9 0.9300 . ?
C10 N1 1.333(8) . ?
C10 H10 0.9300 . ?
C11 C12 1.515(7) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C12 C11 1.515(7) 2_656 ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
Cu1 O3 1.971(4) . ?
Cu1 O4 1.975(4) . ?
Cu1 O2 1.981(5) . ?
Cu1 O1 1.987(5) . ?
Cu1 N1 2.153(4) . ?
Cu1 Cu1 2.6490(13) 7 ?
O2 C1 1.252(8) 7 ?
O4 C5 1.247(7) 7 ?

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
O2 C1 O1 125.1(5) 7 . ?
O2 C1 C2 117.6(5) 7 . ?
O1 C1 C2 117.2(5) . . ?
C1 C2 C3 112.0(5) . 6_565 ?
C1 C2 H2A 109.2 . . ?
C3 C2 H2A 109.2 6_565 . ?
C1 C2 H2B 109.2 . . ?
C3 C2 H2B 109.2 6_565 . ?
H2A C2 H2B 107.9 . . ?
C4 C3 C2 112.0(5) . 6_566 ?
C4 C3 H3A 109.2 . . ?
C2 C3 H3A 109.2 6_566 . ?
C4 C3 H3B 109.2 . . ?
C2 C3 H3B 109.2 6_566 . ?
H3A C3 H3B 107.9 . . ?
C3 C4 C5 115.2(5) . . ?
C3 C4 H4A 108.5 . . ?
C5 C4 H4A 108.5 . . ?
C3 C4 H4B 108.5 . . ?
C5 C4 H4B 108.5 . . ?
H4A C4 H4B 107.5 . . ?
O4 C5 O3 125.6(5) 7 . ?
O4 C5 C4 117.7(5) 7 . ?
O3 C5 C4 116.7(5) . . ?
N1 C6 C7 123.5(5) . . ?
N1 C6 H6 118.3 . . ?
C7 C6 H6 118.3 . . ?
C6 C7 C8 120.0(5) . . ?
C6 C7 H7 120.0 . . ?
C8 C7 H7 120.0 . . ?
C9 C8 C7 116.6(5) . . ?
C9 C8 C11 123.7(5) . . ?
C7 C8 C11 119.7(5) . . ?
C8 C9 C10 120.3(5) . . ?
C8 C9 H9 119.9 . . ?
C10 C9 H9 119.9 . . ?
N1 C10 C9 123.2(6) . . ?
N1 C10 H10 118.4 . . ?
C9 C10 H10 118.4 . . ?
C8 C11 C12 115.8(5) . . ?
C8 C11 H11A 108.3 . . ?
C12 C11 H11A 108.3 . . ?
C8 C11 H11B 108.3 . . ?
C12 C11 H11B 108.3 . . ?
H11A C11 H11B 107.4 . . ?
C11 C12 C11 111.1(7) 2_656 . ?
C11 C12 H12A 109.4 2_656 . ?
C11 C12 H12A 109.4 . . ?
C11 C12 H12B 109.4 2_656 . ?
C11 C12 H12B 109.4 . . ?
H12A C12 H12B 108.0 . . ?
O3 Cu1 O4 167.43(17) . . ?
O3 Cu1 O2 89.1(2) . . ?
O4 Cu1 O2 90.0(2) . . ?
O3 Cu1 O1 86.3(2) . . ?
O4 Cu1 O1 91.9(2) . . ?
O2 Cu1 O1 167.25(18) . . ?
O3 Cu1 N1 96.17(18) . . ?
O4 Cu1 N1 96.38(17) . . ?
O2 Cu1 N1 90.32(19) . . ?
O1 Cu1 N1 101.99(19) . . ?
O3 Cu1 Cu1 84.92(12) . 7 ?
O4 Cu1 Cu1 82.56(13) . 7 ?
O2 Cu1 Cu1 80.65(14) . 7 ?
O1 Cu1 Cu1 87.09(14) . 7 ?
N1 Cu1 Cu1 170.90(15) . 7 ?
C10 N1 C6 116.4(5) . . ?
C10 N1 Cu1 120.9(4) . . ?
C6 N1 Cu1 122.1(4) . . ?
C1 O1 Cu1 119.3(4) . . ?
C1 O2 Cu1 127.3(4) 7 . ?
C5 O3 Cu1 122.1(4) . . ?
C5 O4 Cu1 124.8(4) 7 . ?

_refine_diff_density_max         1.904
_refine_diff_density_min         -1.368
_refine_diff_density_rms         0.185

_shelxl_version_number           2013-4

