 
data_1
_publ_requested_journal        'RSC Advances'
_publ_contact_author_name       'Yuri V. Mironov'
_publ_contact_author_address     
;Nikolaev Institute of Inorganic Chemistry,
SB Russian Academy of Sciences, 3,
Akad. Lavrentiev prospekt, 630090, Novosibirsk, 
Russian Federation 
;
_publ_contact_author_email         yuri@niic.nsc.ru
_publ_contact_author_phone       7(383)3309253
_publ_contact_author_fax         7(383)3309489
loop_
_publ_author_name
_publ_author_address

'Mironov, Y. V.'
;Nikolaev Institute of Inorganic Chemistry,
SB Russian Academy of Sciences, 3,
Akad. Lavrentiev prospekt, 630090 Novosibirsk, 
Russian Federation 

Novosibirsk State University, 2, 
Pirogova street, 630090 Novosibirsk, Russian Federation
;
'Brylev, K. A.'
;Nikolaev Institute of Inorganic Chemistry,
SB Russian Academy of Sciences, 3,
Akad. Lavrentiev prospekt, 630090 Novosibirsk, 
Russian Federation 

Novosibirsk State University, 2, 
Pirogova street, 630090 Novosibirsk, Russian Federation
;
'Smolentsev, A. I.'
;Nikolaev Institute of Inorganic Chemistry,
SB Russian Academy of Sciences, 3,
Akad. Lavrentiev prospekt, 630090 Novosibirsk, 
Russian Federation 

Novosibirsk State University, 2, 
Pirogova street, 630090 Novosibirsk, Russian Federation
;
'Ermolaev, A. V.'
;Nikolaev Institute of Inorganic Chemistry,
SB Russian Academy of Sciences, 3,
Akad. Lavrentiev prospekt, 630090 Novosibirsk, 
Russian Federation 
;
'Fedorov, V. E.'
;Nikolaev Institute of Inorganic Chemistry,
SB Russian Academy of Sciences, 3,
Akad. Lavrentiev prospekt, 630090 Novosibirsk, 
Russian Federation 

Novosibirsk State University, 2, 
Pirogova street, 630090 Novosibirsk, Russian Federation
;
'Kitamura, N.'
;Department of Chemistry, Graduate School of Science, 
Hokkaido University, 060-0810 Sapporo, Japan 
;
 
_audit_creation_method            SHELXL-97 
_chemical_name_systematic 
; 
 ? 
; 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety   'C2 H4 N2 O4 Re6 S8, 2(Cu H12 N4), 2(H2 O)'  
_chemical_formula_sum 'C2 H32 Cu2 N10 O6 Re6 S8' 
_chemical_formula_weight          1793.14 
 
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' 
 'S'  'S'   0.1246   0.1234 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'Re'  'Re'  -1.0185   7.2310 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 
_symmetry_cell_setting            Triclinic 
_symmetry_space_group_name_H-M    'P -1'
_symmetry_space_group_name_Hall    '-P 1'  
 
loop_ 
 _symmetry_equiv_pos_as_xyz 
 'x, y, z' 
 '-x, -y, -z' 
 
_cell_length_a                    8.5493(6) 
_cell_length_b                    9.3230(6) 
_cell_length_c                    11.1684(7) 
_cell_angle_alpha                 92.188(5) 
_cell_angle_beta                  111.206(6) 
_cell_angle_gamma                 101.782(6) 
_cell_volume                      806.27(9) 
_cell_formula_units_Z             1 
_cell_measurement_temperature     173(2) 
_cell_measurement_reflns_used     ? 
_cell_measurement_theta_min       ? 
_cell_measurement_theta_max       ? 
 
_exptl_crystal_description        block 
_exptl_crystal_colour             red 
_exptl_crystal_size_max           0.30 
_exptl_crystal_size_mid           0.12 
_exptl_crystal_size_min           0.08 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     3.693 
_exptl_crystal_density_method     'not measured' 
_exptl_crystal_F_000              798 
_exptl_absorpt_coefficient_mu     24.266 
_exptl_absorpt_correction_type    multi-scan 
_exptl_absorpt_correction_T_min   0.0516 
_exptl_absorpt_correction_T_max   0.2470 
_exptl_absorpt_process_details    'SADABS' 
 
_exptl_special_details 
; 
 ? 
; 
 
_diffrn_ambient_temperature       173(2) 
_diffrn_radiation_wavelength      0.71073 
_diffrn_radiation_type            MoK\a 
_diffrn_radiation_source          'fine-focus sealed tube' 
_diffrn_radiation_monochromator   graphite 
_diffrn_measurement_device_type   'Bruker Nonius X8Apex CCD area-detector'
_diffrn_measurement_method        'φ and ω scans'
_diffrn_detector_area_resol_mean  25
_diffrn_standards_number          0 
_diffrn_reflns_number             7837 
_diffrn_reflns_av_R_equivalents   0.0526 
_diffrn_reflns_av_sigmaI/netI     0.0668 
_diffrn_reflns_limit_h_min        -11 
_diffrn_reflns_limit_h_max        11 
_diffrn_reflns_limit_k_min        -12 
_diffrn_reflns_limit_k_max        12 
_diffrn_reflns_limit_l_min        -13 
_diffrn_reflns_limit_l_max        14 
_diffrn_reflns_theta_min          2.80 
_diffrn_reflns_theta_max          27.48 
_reflns_number_total              3531 
_reflns_number_gt                 2585 
_reflns_threshold_expression      >2sigma(I) 
 
_computing_data_collection       'APEX2 (Bruker, 2004)'
_computing_cell_refinement       'SAINT (Bruker, 2004)'
_computing_data_reduction        'SAINT (Bruker, 2004)'
_computing_structure_solution    'SHELXTL (Bruker, 2004)'
_computing_structure_refinement  'SHELXTL (Bruker, 2004)'
_computing_molecular_graphics    'SHELXTL (Bruker, 2004)'
_computing_publication_material  'SHELXTL (Bruker, 2004)'
 
_refine_special_details 
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
; 
 
_refine_ls_structure_factor_coef  Fsqd  
_refine_ls_matrix_type            full 
_refine_ls_weighting_scheme       calc  
_refine_ls_weighting_details 
 'calc w=1/[σ²(Fo²)+(0.0702P)²] where P=(Fo²+2Fc²)/3' 
_atom_sites_solution_primary      direct 
_atom_sites_solution_secondary    difmap 
_atom_sites_solution_hydrogens    geom 
_refine_ls_hydrogen_treatment     constr 
_refine_ls_extinction_method      none 
_refine_ls_extinction_coef        ? 
_refine_ls_number_reflns          3531 
_refine_ls_number_parameters      172 
_refine_ls_number_restraints      24 
_refine_ls_R_factor_all           0.0658 
_refine_ls_R_factor_gt            0.0455 
_refine_ls_wR_factor_ref          0.1207 
_refine_ls_wR_factor_gt           0.1158 
_refine_ls_goodness_of_fit_ref    1.000 
_refine_ls_restrained_S_all       0.999 
_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_symmetry_multiplicity 
 _atom_site_calc_flag 
 _atom_site_refinement_flags 
 _atom_site_disorder_assembly 
 _atom_site_disorder_group 
Re1 Re 0.55963(6) 0.58424(6) -0.12719(5) 0.01605(16) Uani 1 1 d . . . 
Cu1 Cu 1.0000 1.0000 0.0000 0.0346(7) Uani 1 2 d S . . 
S1 S 0.4406(4) 0.7868(4) -0.0874(4) 0.0218(8) Uani 1 1 d . . . 
O1 O 0.6929(16) 0.8815(13) 0.2203(12) 0.045(3) Uani 1 1 d . . . 
H1 H 0.6894 0.8708 0.2937 0.054 Uiso 1 1 calc R . . 
N1 N 0.647(2) 0.707(2) -0.3734(19) 0.066(5) Uani 1 1 d U . . 
C1 C 0.6248(18) 0.6792(17) -0.2774(15) 0.026(3) Uani 1 1 d U . . 
Re2 Re 0.58724(6) 0.67828(6) 0.10227(5) 0.01624(16) Uani 1 1 d . . . 
Cu2 Cu 1.0000 0.5000 0.5000 0.0268(6) Uani 1 2 d S . . 
S2 S 0.7205(5) 0.5469(4) 0.2764(3) 0.0232(8) Uani 1 1 d . . . 
O2 O 0.9454(11) 0.3994(11) 0.1488(9) 0.022(2) Uani 1 1 d . . . 
H2 H 1.0108 0.4372 0.1117 0.026 Uiso 1 1 calc R . . 
Re3 Re 0.71138(6) 0.45462(6) 0.06817(5) 0.01309(15) Uani 1 1 d . . . 
S3 S 0.6706(4) 0.3722(4) -0.1506(3) 0.0180(7) Uani 1 1 d . . . 
S4 S 0.8346(4) 0.7023(4) 0.0395(4) 0.0213(8) Uani 1 1 d . . . 
N11 N 1.2195(18) 0.9631(16) 0.1250(17) 0.048(4) Uani 1 1 d . . . 
H11A H 1.2619 0.9047 0.0833 0.071 Uiso 1 1 calc R . . 
H11B H 1.1986 0.9173 0.1900 0.071 Uiso 1 1 calc R . . 
H11C H 1.2981 1.0507 0.1587 0.071 Uiso 1 1 calc R . . 
N12 N 0.9617(19) 1.0919(15) 0.1454(14) 0.039(4) Uani 1 1 d . . . 
H12A H 0.9193 1.0202 0.1861 0.058 Uiso 1 1 calc R . . 
H12B H 0.8847 1.1491 0.1150 0.058 Uiso 1 1 calc R . . 
H12C H 1.0635 1.1489 0.2023 0.058 Uiso 1 1 calc R . . 
N21 N 1.041(2) 0.6993(16) 0.5893(14) 0.048(4) Uani 1 1 d . . . 
H21A H 1.0215 0.6912 0.6641 0.072 Uiso 1 1 calc R . . 
H21B H 0.9676 0.7497 0.5372 0.072 Uiso 1 1 calc R . . 
H21C H 1.1517 0.7488 0.6079 0.072 Uiso 1 1 calc R . . 
N22 N 1.1587(16) 0.5797(18) 0.4077(13) 0.043(4) Uani 1 1 d . . . 
H22A H 1.1774 0.6798 0.4140 0.065 Uiso 1 1 calc R . . 
H22B H 1.1088 0.5412 0.3228 0.065 Uiso 1 1 calc R . . 
H22C H 1.2611 0.5537 0.4448 0.065 Uiso 1 1 calc R . . 
O1W O 0.773(3) 0.872(3) 0.462(2) 0.051(7) Uani 0.50 1 d PU . . 
O2W O 1.091(3) 0.885(3) 0.357(2) 0.046(7) Uani 0.50 1 d 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 
Re1 C1 2.121(14) . ? 
Re1 S2 2.402(4) 2_665 ? 
Re1 S3 2.404(4) . ? 
Re1 S4 2.413(3) . ? 
Re1 S1 2.418(4) . ? 
Re1 Re2 2.5873(7) 2_665 ? 
Re1 Re3 2.5881(8) . ? 
Re1 Re2 2.5881(8) . ? 
Re1 Re3 2.5912(7) 2_665 ? 
Cu1 N12 1.967(14) 2_775 ? 
Cu1 N12 1.967(14) . ? 
Cu1 N11 1.999(15) . ? 
Cu1 N11 1.999(15) 2_775 ? 
S1 Re2 2.417(4) . ? 
S1 Re3 2.417(3) 2_665 ? 
O1 Re2 2.095(11) . ? 
O1 H1 0.8400 . ? 
N1 C1 1.18(2) . ? 
Re2 S2 2.394(4) . ? 
Re2 S3 2.414(3) 2_665 ? 
Re2 S4 2.429(3) . ? 
Re2 Re3 2.5863(7) 2_665 ? 
Re2 Re1 2.5873(7) 2_665 ? 
Re2 Re3 2.5991(8) . ? 
Cu2 N21 1.978(15) 2_766 ? 
Cu2 N21 1.978(15) . ? 
Cu2 N22 2.029(13) . ? 
Cu2 N22 2.029(13) 2_766 ? 
S2 Re1 2.402(4) 2_665 ? 
S2 Re3 2.418(4) . ? 
O2 Re3 2.057(9) . ? 
O2 H2 0.8400 . ? 
Re3 S3 2.411(3) . ? 
Re3 S1 2.417(3) 2_665 ? 
Re3 S4 2.418(3) . ? 
Re3 Re2 2.5863(7) 2_665 ? 
Re3 Re1 2.5912(7) 2_665 ? 
S3 Re2 2.414(3) 2_665 ? 
N11 H11A 0.9100 . ? 
N11 H11B 0.9100 . ? 
N11 H11C 0.9100 . ? 
N12 H12A 0.9100 . ? 
N12 H12B 0.9100 . ? 
N12 H12C 0.9100 . ? 
N21 H21A 0.9100 . ? 
N21 H21B 0.9100 . ? 
N21 H21C 0.9100 . ? 
N22 H22A 0.9100 . ? 
N22 H22B 0.9100 . ? 
N22 H22C 0.9100 . ? 
 
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 Re1 S2 92.1(4) . 2_665 ? 
C1 Re1 S3 92.5(5) . . ? 
S2 Re1 S3 89.43(12) 2_665 . ? 
C1 Re1 S4 93.7(4) . . ? 
S2 Re1 S4 174.14(12) 2_665 . ? 
S3 Re1 S4 89.62(12) . . ? 
C1 Re1 S1 93.1(5) . . ? 
S2 Re1 S1 90.30(13) 2_665 . ? 
S3 Re1 S1 174.48(11) . . ? 
S4 Re1 S1 90.09(12) . . ? 
C1 Re1 Re2 134.0(4) . 2_665 ? 
S2 Re1 Re2 57.21(9) 2_665 2_665 ? 
S3 Re1 Re2 57.71(8) . 2_665 ? 
S4 Re1 Re2 117.65(9) . 2_665 ? 
S1 Re1 Re2 117.81(8) . 2_665 ? 
C1 Re1 Re3 135.4(4) . . ? 
S2 Re1 Re3 117.16(9) 2_665 . ? 
S3 Re1 Re3 57.60(8) . . ? 
S4 Re1 Re3 57.71(9) . . ? 
S1 Re1 Re3 117.87(9) . . ? 
Re2 Re1 Re3 59.97(2) 2_665 . ? 
C1 Re1 Re2 135.8(4) . . ? 
S2 Re1 Re2 117.64(9) 2_665 . ? 
S3 Re1 Re2 117.86(8) . . ? 
S4 Re1 Re2 58.00(9) . . ? 
S1 Re1 Re2 57.61(9) . . ? 
Re2 Re1 Re2 90.14(2) 2_665 . ? 
Re3 Re1 Re2 60.28(2) . . ? 
C1 Re1 Re3 134.4(4) . 2_665 ? 
S2 Re1 Re3 57.77(9) 2_665 2_665 ? 
S3 Re1 Re3 117.93(8) . 2_665 ? 
S4 Re1 Re3 117.88(9) . 2_665 ? 
S1 Re1 Re3 57.59(8) . 2_665 ? 
Re2 Re1 Re3 60.25(2) 2_665 2_665 ? 
Re3 Re1 Re3 90.22(2) . 2_665 ? 
Re2 Re1 Re3 59.92(2) . 2_665 ? 
N12 Cu1 N12 179.999(3) 2_775 . ? 
N12 Cu1 N11 90.7(7) 2_775 . ? 
N12 Cu1 N11 89.3(6) . . ? 
N12 Cu1 N11 89.3(6) 2_775 2_775 ? 
N12 Cu1 N11 90.7(7) . 2_775 ? 
N11 Cu1 N11 179.999(2) . 2_775 ? 
Re2 S1 Re3 64.69(9) . 2_665 ? 
Re2 S1 Re1 64.73(9) . . ? 
Re3 S1 Re1 64.80(9) 2_665 . ? 
Re2 O1 H1 109.5 . . ? 
N1 C1 Re1 167.8(16) . . ? 
O1 Re2 S2 92.3(4) . . ? 
O1 Re2 S3 94.2(4) . 2_665 ? 
S2 Re2 S3 89.38(12) . 2_665 ? 
O1 Re2 S1 93.6(4) . . ? 
S2 Re2 S1 174.12(13) . . ? 
S3 Re2 S1 90.23(12) 2_665 . ? 
O1 Re2 S4 92.1(4) . . ? 
S2 Re2 S4 90.00(13) . . ? 
S3 Re2 S4 173.63(11) 2_665 . ? 
S1 Re2 S4 89.74(12) . . ? 
O1 Re2 Re3 136.1(4) . 2_665 ? 
S2 Re2 Re3 117.50(9) . 2_665 ? 
S3 Re2 Re3 57.52(8) 2_665 2_665 ? 
S1 Re2 Re3 57.67(8) . 2_665 ? 
S4 Re2 Re3 117.47(9) . 2_665 ? 
O1 Re2 Re1 135.3(4) . 2_665 ? 
S2 Re2 Re1 57.49(9) . 2_665 ? 
S3 Re2 Re1 57.34(9) 2_665 2_665 ? 
S1 Re2 Re1 117.66(8) . 2_665 ? 
S4 Re2 Re1 117.29(9) . 2_665 ? 
Re3 Re2 Re1 60.03(2) 2_665 2_665 ? 
O1 Re2 Re1 134.8(4) . . ? 
S2 Re2 Re1 117.57(10) . . ? 
S3 Re2 Re1 117.57(8) 2_665 . ? 
S1 Re2 Re1 57.66(9) . . ? 
S4 Re2 Re1 57.39(9) . . ? 
Re3 Re2 Re1 60.10(2) 2_665 . ? 
Re1 Re2 Re1 89.86(2) 2_665 . ? 
O1 Re2 Re3 133.8(4) . . ? 
S2 Re2 Re3 57.74(9) . . ? 
S3 Re2 Re3 117.27(9) 2_665 . ? 
S1 Re2 Re3 117.50(10) . . ? 
S4 Re2 Re3 57.38(8) . . ? 
Re3 Re2 Re3 90.08(2) 2_665 . ? 
Re1 Re2 Re3 59.95(2) 2_665 . ? 
Re1 Re2 Re3 59.86(2) . . ? 
N21 Cu2 N21 180.0(8) 2_766 . ? 
N21 Cu2 N22 89.2(7) 2_766 . ? 
N21 Cu2 N22 90.8(7) . . ? 
N21 Cu2 N22 90.8(7) 2_766 2_766 ? 
N21 Cu2 N22 89.2(7) . 2_766 ? 
N22 Cu2 N22 179.999(2) . 2_766 ? 
Re2 S2 Re1 65.30(9) . 2_665 ? 
Re2 S2 Re3 65.39(9) . . ? 
Re1 S2 Re3 65.05(9) 2_665 . ? 
Re3 O2 H2 109.5 . . ? 
O2 Re3 S3 94.2(3) . . ? 
O2 Re3 S1 91.3(3) . 2_665 ? 
S3 Re3 S1 90.30(13) . 2_665 ? 
O2 Re3 S2 92.6(3) . . ? 
S3 Re3 S2 173.14(12) . . ? 
S1 Re3 S2 89.94(13) 2_665 . ? 
O2 Re3 S4 94.6(3) . . ? 
S3 Re3 S4 89.35(12) . . ? 
S1 Re3 S4 174.06(12) 2_665 . ? 
S2 Re3 S4 89.70(13) . . ? 
O2 Re3 Re2 134.5(3) . 2_665 ? 
S3 Re3 Re2 57.65(8) . 2_665 ? 
S1 Re3 Re2 57.65(9) 2_665 2_665 ? 
S2 Re3 Re2 117.11(9) . 2_665 ? 
S4 Re3 Re2 117.50(9) . 2_665 ? 
O2 Re3 Re1 137.0(3) . . ? 
S3 Re3 Re1 57.37(9) . . ? 
S1 Re3 Re1 117.61(9) 2_665 . ? 
S2 Re3 Re1 116.70(9) . . ? 
S4 Re3 Re1 57.52(9) . . ? 
Re2 Re3 Re1 60.00(2) 2_665 . ? 
O2 Re3 Re1 133.2(3) . 2_665 ? 
S3 Re3 Re1 117.58(8) . 2_665 ? 
S1 Re3 Re1 57.61(9) 2_665 2_665 ? 
S2 Re3 Re1 57.18(9) . 2_665 ? 
S4 Re3 Re1 117.55(9) . 2_665 ? 
Re2 Re3 Re1 59.98(2) 2_665 2_665 ? 
Re1 Re3 Re1 89.78(2) . 2_665 ? 
O2 Re3 Re2 135.5(3) . . ? 
S3 Re3 Re2 117.21(9) . . ? 
S1 Re3 Re2 117.39(9) 2_665 . ? 
S2 Re3 Re2 56.87(9) . . ? 
S4 Re3 Re2 57.78(9) . . ? 
Re2 Re3 Re2 89.92(2) 2_665 . ? 
Re1 Re3 Re2 59.86(2) . . ? 
Re1 Re3 Re2 59.80(2) 2_665 . ? 
Re1 S3 Re3 65.02(9) . . ? 
Re1 S3 Re2 64.95(9) . 2_665 ? 
Re3 S3 Re2 64.83(9) . 2_665 ? 
Re1 S4 Re3 64.77(8) . . ? 
Re1 S4 Re2 64.61(8) . . ? 
Re3 S4 Re2 64.84(8) . . ? 
Cu1 N11 H11A 109.5 . . ? 
Cu1 N11 H11B 109.5 . . ? 
H11A N11 H11B 109.5 . . ? 
Cu1 N11 H11C 109.5 . . ? 
H11A N11 H11C 109.5 . . ? 
H11B N11 H11C 109.5 . . ? 
Cu1 N12 H12A 109.5 . . ? 
Cu1 N12 H12B 109.5 . . ? 
H12A N12 H12B 109.5 . . ? 
Cu1 N12 H12C 109.5 . . ? 
H12A N12 H12C 109.5 . . ? 
H12B N12 H12C 109.5 . . ? 
Cu2 N21 H21A 109.5 . . ? 
Cu2 N21 H21B 109.5 . . ? 
H21A N21 H21B 109.5 . . ? 
Cu2 N21 H21C 109.5 . . ? 
H21A N21 H21C 109.5 . . ? 
H21B N21 H21C 109.5 . . ? 
Cu2 N22 H22A 109.5 . . ? 
Cu2 N22 H22B 109.5 . . ? 
H22A N22 H22B 109.5 . . ? 
Cu2 N22 H22C 109.5 . . ? 
H22A N22 H22C 109.5 . . ? 
H22B N22 H22C 109.5 . . ? 
 
_diffrn_measured_fraction_theta_max    0.955 
_diffrn_reflns_theta_full              25.25 
_diffrn_measured_fraction_theta_full   0.996 
_refine_diff_density_max    4.217 
_refine_diff_density_min   -3.626 
_refine_diff_density_rms    0.495 
_publ_section_references        
;
Bruker AXS Inc. (2004). APEX2 (Version 1.08), SAINT (Version 7.03), 
SADABS (Version 2.11) and SHELXTL (Version 6.12). 
Bruker Advanced X-ray Solutions, Madison, Wisconsin, USA.
;
