# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2014



data_global
_journal_name_full               'J.Solid State Chem.'
_journal_coden_cambridge         0208
_journal_year                    ?
_journal_volume                  ?
_journal_page_first              ?
_publ_contact_author_name        'Baibin Zhou'
_publ_contact_author_email       hsdqzk@163.com


data_1

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C84 H48 Cu8 Mo12 N12 O62'
_chemical_formula_sum            'C84 H48 Cu8 Mo12 N12 O62'
_chemical_formula_weight         3876.94

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'
Mo Mo -1.6832 0.6857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Trigonal
_symmetry_space_group_name_H-M   R-3c
_symmetry_space_group_name_Hall  '-R 3 2"c'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'y, x, -z+1/2'
'x-y, -y, -z+1/2'
'-x, -x+y, -z+1/2'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'y+2/3, x+1/3, -z+5/6'
'x-y+2/3, -y+1/3, -z+5/6'
'-x+2/3, -x+y+1/3, -z+5/6'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'y+1/3, x+2/3, -z+7/6'
'x-y+1/3, -y+2/3, -z+7/6'
'-x+1/3, -x+y+2/3, -z+7/6'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-y, -x, z-1/2'
'-x+y, y, z-1/2'
'x, x-y, z-1/2'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-y+2/3, -x+1/3, z-1/6'
'-x+y+2/3, y+1/3, z-1/6'
'x+2/3, x-y+1/3, z-1/6'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'
'-y+1/3, -x+2/3, z+1/6'
'-x+y+1/3, y+2/3, z+1/6'
'x+1/3, x-y+2/3, z+1/6'

_cell_length_a                   14.9724(3)
_cell_length_b                   14.9724(3)
_cell_length_c                   80.713(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_volume                     15669.5(8)
_cell_formula_units_Z            6
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    4329
_cell_measurement_theta_min      1.65
_cell_measurement_theta_max      28.27

_exptl_crystal_description       block
_exptl_crystal_colour            blue
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.16
_exptl_crystal_density_meas      2.465
_exptl_crystal_density_diffrn    2.465
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             11208
_exptl_absorpt_coefficient_mu    3.090
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  0.6063
_exptl_absorpt_correction_T_max  0.6377
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      293(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 P4'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            31117
_diffrn_reflns_av_R_equivalents  0.0452
_diffrn_reflns_av_sigmaI/netI    0.0273
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -81
_diffrn_reflns_limit_l_max       107
_diffrn_reflns_theta_min         1.65
_diffrn_reflns_theta_max         28.27
_reflns_number_total             4326
_reflns_number_gt                3495
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker XSCANS'
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_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)+(0.0363P)²+49.5565P] 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         4326
_refine_ls_number_parameters     270
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0416
_refine_ls_R_factor_gt           0.0287
_refine_ls_wR_factor_ref         0.0753
_refine_ls_wR_factor_gt          0.0689
_refine_ls_goodness_of_fit_ref   1.007
_refine_ls_restrained_S_all      1.007
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Mo1 Mo 0.47578(2) 0.70845(2) 0.150107(3) 0.02869(8) Uani 1 1 d . . .
Mo2 Mo 0.73954(3) 0.47935(2) 0.099790(4) 0.04312(10) Uani 1 1 d . . .
Cu1 Cu 0.65805(3) 0.64313(3) 0.123292(5) 0.02876(10) Uani 1 1 d . . .
Cu2 Cu 1.0000 1.0000 0.120369(8) 0.02689(15) Uani 1 3 d S . .
O1 O 0.3333 0.6667 0.1667 0.0236(10) Uani 1 6 d S . .
O2 O 0.41727(17) 0.78058(17) 0.13997(3) 0.0318(5) Uani 1 1 d . . .
O3 O 0.53193(16) 0.80915(16) 0.16692(3) 0.0310(5) Uani 1 1 d . . .
O4 O 0.57743(18) 0.73164(18) 0.13800(3) 0.0390(6) Uani 1 1 d . . .
O5 O 0.6667 0.5099(2) 0.0833 0.0453(9) Uani 1 2 d S . .
O6 O 0.7884(3) 0.5852(2) 0.11179(4) 0.0721(10) Uani 1 1 d . . .
O7 O 0.8438(2) 0.5105(2) 0.0833 0.0456(9) Uani 1 2 d S . .
O8 O 0.7846(2) 0.3932(2) 0.11000(3) 0.0490(7) Uani 1 1 d . . .
O9 O 0.6667 0.3333 0.0833 0.0260(11) Uani 1 6 d S . .
O10 O 0.72340(17) 0.75852(17) 0.10782(3) 0.0333(5) Uani 1 1 d . . .
O11 O 0.78190(16) 0.72161(16) 0.13681(3) 0.0304(5) Uani 1 1 d . . .
O12 O 0.93154(17) 0.86875(17) 0.13517(3) 0.0367(5) Uani 1 1 d . . .
O13 O 0.86788(18) 0.91122(17) 0.10638(3) 0.0379(6) Uani 1 1 d . . .
C1 C 0.6313(3) 0.5115(3) 0.15282(4) 0.0408(8) Uani 1 1 d . . .
H1A H 0.6993 0.5578 0.1557 0.049 Uiso 1 1 calc R . .
C2 C 0.5729(3) 0.4280(3) 0.16320(5) 0.0511(10) Uani 1 1 d . . .
H2A H 0.6019 0.4179 0.1727 0.061 Uiso 1 1 calc R . .
C3 C 0.4718(3) 0.3606(3) 0.15920(4) 0.0459(9) Uani 1 1 d . . .
H3A H 0.4313 0.3059 0.1662 0.055 Uiso 1 1 calc R . .
C4 C 0.4296(3) 0.3739(2) 0.14465(4) 0.0346(7) Uani 1 1 d . . .
C5 C 0.4945(2) 0.4592(2) 0.13472(4) 0.0279(6) Uani 1 1 d . . .
C6 C 0.4583(2) 0.4792(2) 0.11972(4) 0.0278(6) Uani 1 1 d . . .
C7 C 0.3568(2) 0.4134(3) 0.11452(4) 0.0350(7) Uani 1 1 d . . .
C8 C 0.3272(3) 0.4390(3) 0.09970(5) 0.0517(10) Uani 1 1 d . . .
H8A H 0.2604 0.3980 0.0957 0.062 Uiso 1 1 calc R . .
C9 C 0.3960(3) 0.5243(4) 0.09097(5) 0.0570(11) Uani 1 1 d . . .
H9A H 0.3761 0.5418 0.0811 0.068 Uiso 1 1 calc R . .
C10 C 0.4965(3) 0.5850(3) 0.09693(5) 0.0443(9) Uani 1 1 d . . .
H10A H 0.5433 0.6421 0.0908 0.053 Uiso 1 1 calc R . .
C11 C 0.3262(3) 0.3078(3) 0.13894(5) 0.0432(9) Uani 1 1 d . . .
H11A H 0.2819 0.2505 0.1452 0.052 Uiso 1 1 calc R . .
C12 C 0.2921(3) 0.3264(3) 0.12481(5) 0.0441(9) Uani 1 1 d . . .
H12A H 0.2245 0.2818 0.1215 0.053 Uiso 1 1 calc R . .
C13 C 0.8098(2) 0.8271(2) 0.11318(4) 0.0288(6) Uani 1 1 d . . .
C14 C 0.8447(2) 0.8040(2) 0.12977(4) 0.0282(6) Uani 1 1 d . . .
N1 N 0.5940(2) 0.5275(2) 0.13901(3) 0.0294(6) Uani 1 1 d . . .
N2 N 0.5268(2) 0.5636(2) 0.11101(3) 0.0306(6) 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
Mo1 O4 1.692(2) . ?
Mo1 O2 1.884(2) . ?
Mo1 O3 1.885(2) . ?
Mo1 O2 1.969(2) 3_565 ?
Mo1 O3 1.970(2) 26_455 ?
Mo1 O1 2.3221(3) . ?
Mo2 O6 1.681(3) . ?
Mo2 O5 1.9138(18) . ?
Mo2 O8 1.915(3) . ?
Mo2 O7 1.9216(18) . ?
Mo2 O8 1.935(3) 2_655 ?
Mo2 O9 2.3128(3) . ?
Cu1 O10 1.952(2) . ?
Cu1 O11 1.957(2) . ?
Cu1 N1 1.967(3) . ?
Cu1 N2 1.981(3) . ?
Cu1 O4 2.495(2) . ?
Cu1 O6 2.667(3) . ?
Cu2 O12 2.080(2) . ?
Cu2 O12 2.080(2) 3_675 ?
Cu2 O12 2.080(2) 2_765 ?
Cu2 O13 2.080(2) 3_675 ?
Cu2 O13 2.080(2) . ?
Cu2 O13 2.080(2) 2_765 ?
O1 Mo1 2.3220(3) 27 ?
O1 Mo1 2.3220(3) 25_565 ?
O1 Mo1 2.3221(3) 26_455 ?
O1 Mo1 2.3222(3) 3_565 ?
O1 Mo1 2.3222(3) 2_665 ?
O2 Mo1 1.969(2) 2_665 ?
O3 Mo1 1.970(2) 27 ?
O5 Mo2 1.9142(18) 18_654 ?
O7 Mo2 1.9220(18) 16_544 ?
O8 Mo2 1.935(3) 3_665 ?
O9 Mo2 2.3127(3) 2_655 ?
O9 Mo2 2.3128(3) 3_665 ?
O9 Mo2 2.3131(3) 18_654 ?
O9 Mo2 2.3131(3) 16_544 ?
O9 Mo2 2.3132(3) 17_554 ?
O10 C13 1.260(4) . ?
O11 C14 1.253(4) . ?
O12 C14 1.249(4) . ?
O13 C13 1.244(4) . ?
C1 N1 1.322(4) . ?
C1 C2 1.392(5) . ?
C1 H1A 0.9300 . ?
C2 C3 1.373(6) . ?
C2 H2A 0.9300 . ?
C3 C4 1.394(5) . ?
C3 H3A 0.9300 . ?
C4 C5 1.405(4) . ?
C4 C11 1.434(5) . ?
C5 N1 1.363(4) . ?
C5 C6 1.418(4) . ?
C6 N2 1.359(4) . ?
C6 C7 1.400(4) . ?
C7 C8 1.395(5) . ?
C7 C12 1.436(5) . ?
C8 C9 1.369(6) . ?
C8 H8A 0.9300 . ?
C9 C10 1.398(5) . ?
C9 H9A 0.9300 . ?
C10 N2 1.321(4) . ?
C10 H10A 0.9300 . ?
C11 C12 1.336(6) . ?
C11 H11A 0.9300 . ?
C12 H12A 0.9300 . ?
C13 C14 1.539(5) . ?

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
O4 Mo1 O2 105.07(11) . . ?
O4 Mo1 O3 104.82(11) . . ?
O2 Mo1 O3 90.19(10) . . ?
O4 Mo1 O2 102.00(10) . 3_565 ?
O2 Mo1 O2 86.97(13) . 3_565 ?
O3 Mo1 O2 152.83(9) . 3_565 ?
O4 Mo1 O3 101.74(11) . 26_455 ?
O2 Mo1 O3 152.85(9) . 26_455 ?
O3 Mo1 O3 87.03(3) . 26_455 ?
O2 Mo1 O3 83.37(9) 3_565 26_455 ?
O4 Mo1 O1 176.73(8) . . ?
O2 Mo1 O1 77.09(7) . . ?
O3 Mo1 O1 77.48(6) . . ?
O2 Mo1 O1 75.54(6) 3_565 . ?
O3 Mo1 O1 75.93(6) 26_455 . ?
O6 Mo2 O5 101.88(15) . . ?
O6 Mo2 O8 104.69(15) . . ?
O5 Mo2 O8 153.42(11) . . ?
O6 Mo2 O7 104.59(15) . . ?
O5 Mo2 O7 87.33(3) . . ?
O8 Mo2 O7 86.79(9) . . ?
O6 Mo2 O8 102.18(14) . 2_655 ?
O5 Mo2 O8 86.79(9) . 2_655 ?
O8 Mo2 O8 86.89(17) . 2_655 ?
O7 Mo2 O8 153.23(11) . 2_655 ?
O6 Mo2 O9 177.95(12) . . ?
O5 Mo2 O9 76.79(9) . . ?
O8 Mo2 O9 76.64(7) . . ?
O7 Mo2 O9 76.97(8) . . ?
O8 Mo2 O9 76.26(8) 2_655 . ?
O10 Cu1 O11 85.42(9) . . ?
O10 Cu1 N1 179.26(11) . . ?
O11 Cu1 N1 93.88(10) . . ?
O10 Cu1 N2 96.86(10) . . ?
O11 Cu1 N2 175.86(10) . . ?
N1 Cu1 N2 83.85(11) . . ?
O10 Cu1 O4 89.76(9) . . ?
O11 Cu1 O4 88.88(9) . . ?
N1 Cu1 O4 90.47(10) . . ?
N2 Cu1 O4 87.67(10) . . ?
O10 Cu1 O6 86.60(11) . . ?
O11 Cu1 O6 76.21(9) . . ?
N1 Cu1 O6 93.00(11) . . ?
N2 Cu1 O6 107.32(10) . . ?
O4 Cu1 O6 164.88(9) . . ?
O12 Cu2 O12 90.30(9) . 3_675 ?
O12 Cu2 O12 90.30(9) . 2_765 ?
O12 Cu2 O12 90.30(9) 3_675 2_765 ?
O12 Cu2 O13 169.29(9) . 3_675 ?
O12 Cu2 O13 81.14(9) 3_675 3_675 ?
O12 Cu2 O13 96.13(9) 2_765 3_675 ?
O12 Cu2 O13 81.13(9) . . ?
O12 Cu2 O13 96.13(9) 3_675 . ?
O12 Cu2 O13 169.29(9) 2_765 . ?
O13 Cu2 O13 93.32(9) 3_675 . ?
O12 Cu2 O13 96.13(9) . 2_765 ?
O12 Cu2 O13 169.29(9) 3_675 2_765 ?
O12 Cu2 O13 81.13(9) 2_765 2_765 ?
O13 Cu2 O13 93.33(9) 3_675 2_765 ?
O13 Cu2 O13 93.33(9) . 2_765 ?
Mo1 O1 Mo1 90.180(10) 27 25_565 ?
Mo1 O1 Mo1 90.179(10) 27 26_455 ?
Mo1 O1 Mo1 90.179(10) 25_565 26_455 ?
Mo1 O1 Mo1 89.823(10) 27 . ?
Mo1 O1 Mo1 179.997(15) 25_565 . ?
Mo1 O1 Mo1 89.823(10) 26_455 . ?
Mo1 O1 Mo1 179.995(1) 27 3_565 ?
Mo1 O1 Mo1 89.823(10) 25_565 3_565 ?
Mo1 O1 Mo1 89.825(10) 26_455 3_565 ?
Mo1 O1 Mo1 90.174(10) . 3_565 ?
Mo1 O1 Mo1 89.825(10) 27 2_665 ?
Mo1 O1 Mo1 89.824(10) 25_565 2_665 ?
Mo1 O1 Mo1 180.0 26_455 2_665 ?
Mo1 O1 Mo1 90.174(10) . 2_665 ?
Mo1 O1 Mo1 90.171(10) 3_565 2_665 ?
Mo1 O2 Mo1 117.19(11) . 2_665 ?
Mo1 O3 Mo1 116.51(10) . 27 ?
Mo1 O4 Cu1 142.22(13) . . ?
Mo2 O5 Mo2 116.81(17) . 18_654 ?
Mo2 O6 Cu1 117.58(16) . . ?
Mo2 O7 Mo2 116.29(17) . 16_544 ?
Mo2 O8 Mo2 116.79(12) . 3_665 ?
Mo2 O9 Mo2 90.303(13) 2_655 . ?
Mo2 O9 Mo2 90.302(13) 2_655 3_665 ?
Mo2 O9 Mo2 90.303(13) . 3_665 ?
Mo2 O9 Mo2 89.781(17) 2_655 18_654 ?
Mo2 O9 Mo2 89.635(18) . 18_654 ?
Mo2 O9 Mo2 179.897(19) 3_665 18_654 ?
Mo2 O9 Mo2 179.893(16) 2_655 16_544 ?
Mo2 O9 Mo2 89.781(17) . 16_544 ?
Mo2 O9 Mo2 89.633(18) 3_665 16_544 ?
Mo2 O9 Mo2 90.284(13) 18_654 16_544 ?
Mo2 O9 Mo2 89.632(18) 2_655 17_554 ?
Mo2 O9 Mo2 179.897(16) . 17_554 ?
Mo2 O9 Mo2 89.778(17) 3_665 17_554 ?
Mo2 O9 Mo2 90.284(13) 18_654 17_554 ?
Mo2 O9 Mo2 90.283(13) 16_544 17_554 ?
C13 O10 Cu1 111.0(2) . . ?
C14 O11 Cu1 110.9(2) . . ?
C14 O12 Cu2 111.3(2) . . ?
C13 O13 Cu2 111.6(2) . . ?
N1 C1 C2 122.5(3) . . ?
N1 C1 H1A 118.7 . . ?
C2 C1 H1A 118.7 . . ?
C3 C2 C1 119.0(3) . . ?
C3 C2 H2A 120.5 . . ?
C1 C2 H2A 120.5 . . ?
C2 C3 C4 120.3(3) . . ?
C2 C3 H3A 119.8 . . ?
C4 C3 H3A 119.8 . . ?
C3 C4 C5 117.0(3) . . ?
C3 C4 C11 125.5(3) . . ?
C5 C4 C11 117.5(3) . . ?
N1 C5 C4 122.4(3) . . ?
N1 C5 C6 116.6(3) . . ?
C4 C5 C6 121.0(3) . . ?
N2 C6 C7 123.2(3) . . ?
N2 C6 C5 116.6(3) . . ?
C7 C6 C5 120.2(3) . . ?
C8 C7 C6 116.5(3) . . ?
C8 C7 C12 125.6(3) . . ?
C6 C7 C12 117.9(3) . . ?
C9 C8 C7 120.2(3) . . ?
C9 C8 H8A 119.9 . . ?
C7 C8 H8A 119.9 . . ?
C8 C9 C10 119.5(4) . . ?
C8 C9 H9A 120.2 . . ?
C10 C9 H9A 120.2 . . ?
N2 C10 C9 121.8(4) . . ?
N2 C10 H10A 119.1 . . ?
C9 C10 H10A 119.1 . . ?
C12 C11 C4 121.6(3) . . ?
C12 C11 H11A 119.2 . . ?
C4 C11 H11A 119.2 . . ?
C11 C12 C7 121.9(3) . . ?
C11 C12 H12A 119.0 . . ?
C7 C12 H12A 119.0 . . ?
O13 C13 O10 126.0(3) . . ?
O13 C13 C14 117.9(3) . . ?
O10 C13 C14 116.2(3) . . ?
O12 C14 O11 125.7(3) . . ?
O12 C14 C13 117.9(3) . . ?
O11 C14 C13 116.4(3) . . ?
C1 N1 C5 118.7(3) . . ?
C1 N1 Cu1 129.7(2) . . ?
C5 N1 Cu1 111.4(2) . . ?
C10 N2 C6 118.7(3) . . ?
C10 N2 Cu1 130.0(2) . . ?
C6 N2 Cu1 111.1(2) . . ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        28.27
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         1.196
_refine_diff_density_min         -1.161
_refine_diff_density_rms         0.099


_database_code_depnum_ccdc_archive 'CCDC 708957'
