# 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 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_compound-1
_database_code_depnum_ccdc_archive 'CCDC 1882734'
loop_
_audit_author_name
_audit_author_address
'Aixiang Tian'
;Department of Chemistry, Bohai University, Jinzhou, 121000
China
;
_audit_update_record             
;
2018-12-02 deposited with the CCDC.	2019-03-21 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C40 H44 Cu4 N8 O28 W6'
_chemical_formula_weight         2442

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'
W W -0.8490 6.8722 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 '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'

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   9.2019(16)
_cell_length_b                   12.776(2)
_cell_length_c                   13.891(2)
_cell_angle_alpha                102.389(3)
_cell_angle_beta                 106.937(3)
_cell_angle_gamma                109.667(2)
_cell_volume                     1379.7(4)
_cell_formula_units_Z            1
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    7371
_cell_measurement_theta_min      1.80
_cell_measurement_theta_max      25

_exptl_crystal_description       block
_exptl_crystal_colour            blue
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.925
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1112
_exptl_absorpt_coefficient_mu    14.051
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.202
_exptl_absorpt_correction_T_max  0.245
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      296(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  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        none
_diffrn_reflns_number            7371
_diffrn_reflns_av_R_equivalents  0.0249
_diffrn_reflns_av_sigmaI/netI    0.0517
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         1.80
_diffrn_reflns_theta_max         25.00
_reflns_number_total             4853
_reflns_number_gt                3966
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'SMART (Bruker, 2001)'
_computing_cell_refinement       'SMART (Bruker, 2001)'
_computing_data_reduction        'SAINT+ (Bruker, 1999)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'PLATON (Spek, 2003)'
_computing_publication_material  'SHELXTL (1998)'

_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)+(0.0189P)²+5.6611P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         4829
_refine_ls_number_parameters     388
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0468
_refine_ls_R_factor_gt           0.0322
_refine_ls_wR_factor_ref         0.0600
_refine_ls_wR_factor_gt          0.0565
_refine_ls_goodness_of_fit_ref   0.954
_refine_ls_restrained_S_all      0.954
_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
W1 W 0.41070(4) 0.36575(3) 0.01461(3) 0.01501(9) Uani 1 1 d . . .
W2 W 0.79127(4) 0.56135(3) 0.18449(3) 0.01764(9) Uani 1 1 d . . .
W3 W 0.45236(5) 0.30635(3) -0.21917(3) 0.01968(10) Uani 1 1 d . . .
O1 O 0.2178(7) 0.3777(5) -0.0514(4) 0.0190(13) Uani 1 1 d . . .
O1W O 1.0118(8) 0.4067(6) 0.0614(5) 0.0316(16) Uani 1 1 d . . .
O2 O 0.5276(7) 0.5350(5) 0.1014(4) 0.0159(12) Uani 1 1 d . . .
O2W O 0.3714(14) -0.0165(8) -0.4601(9) 0.111(4) Uani 1 1 d . . .
O3 O 0.3836(9) 0.1661(5) -0.3105(5) 0.0331(16) Uani 1 1 d . . .
O3W O 1.0194(12) 0.8919(9) 0.4577(8) 0.096(3) Uani 1 1 d . . .
O4 O 0.9974(8) 0.5880(5) 0.2150(5) 0.0294(15) Uani 1 1 d . . .
O5 O 0.7451(7) 0.4967(5) 0.2825(5) 0.0245(14) Uani 1 1 d . . .
O6 O 0.3678(8) 0.3003(5) 0.1054(5) 0.0246(14) Uani 1 1 d . . .
O7 O 0.6647(8) 0.3418(5) -0.1395(5) 0.0256(15) Uani 1 1 d . . .
O8 O 0.7899(7) 0.7038(5) 0.2507(4) 0.0237(14) Uani 1 1 d . . .
O9 O 0.3944(7) 0.2499(5) -0.0977(5) 0.0210(13) Uani 1 1 d . . .
O10 O 0.6661(7) 0.4051(4) 0.0680(4) 0.0152(12) Uani 1 1 d . . .
O11 O 0.4804(7) 0.3992(5) -0.2993(5) 0.0241(14) Uani 1 1 d . . .
Cu1 Cu 0.56117(14) 0.47175(10) 0.32549(9) 0.0232(3) Uani 1 1 d . . .
Cu2 Cu 0.73078(14) 0.29604(9) -0.01255(9) 0.0217(2) Uani 1 1 d . . .
C1 C 0.8165(13) 0.1665(10) -0.1751(9) 0.042(3) Uani 1 1 d . . .
H1A H 0.8175 0.2264 -0.2034 0.051 Uiso 1 1 calc R . .
C2 C 0.8558(15) 0.0780(10) -0.2232(10) 0.054(3) Uani 1 1 d . . .
H2A H 0.8842 0.0791 -0.2820 0.065 Uiso 1 1 calc R . .
C3 C 0.8517(15) -0.0112(10) -0.1813(10) 0.054(3) Uani 1 1 d . . .
H3A H 0.8758 -0.0721 -0.2120 0.064 Uiso 1 1 calc R . .
C4 C 0.8113(13) -0.0080(9) -0.0938(8) 0.036(3) Uani 1 1 d . . .
H4B H 0.8077 -0.0673 -0.0645 0.043 Uiso 1 1 calc R . .
C5 C 0.7763(12) 0.0817(8) -0.0490(7) 0.028(2) Uani 1 1 d . . .
C6 C 0.7296(12) 0.0920(7) 0.0449(7) 0.026(2) Uani 1 1 d . . .
C7 C 0.7130(13) 0.0121(8) 0.0975(8) 0.039(3) Uani 1 1 d . . .
H7A H 0.7330 -0.0539 0.0753 0.046 Uiso 1 1 calc R . .
C8 C 0.6663(13) 0.0298(9) 0.1843(9) 0.042(3) Uani 1 1 d . . .
H8A H 0.6563 -0.0230 0.2215 0.051 Uiso 1 1 calc R . .
C9 C 0.6356(13) 0.1266(9) 0.2132(8) 0.037(3) Uani 1 1 d . . .
H9A H 0.6008 0.1394 0.2694 0.044 Uiso 1 1 calc R . .
C10 C 0.6563(11) 0.2057(8) 0.1590(8) 0.027(2) Uani 1 1 d . . .
H10A H 0.6371 0.2722 0.1804 0.033 Uiso 1 1 calc R . .
C11 C 0.7858(12) 0.3868(8) 0.4548(7) 0.029(2) Uani 1 1 d . . .
H11A H 0.8656 0.4268 0.4313 0.035 Uiso 1 1 calc R . .
C12 C 0.8299(13) 0.3335(9) 0.5285(8) 0.034(2) Uani 1 1 d . . .
H12A H 0.9378 0.3378 0.5544 0.041 Uiso 1 1 calc R . .
C13 C 0.7133(14) 0.2752(8) 0.5620(7) 0.035(3) Uani 1 1 d . . .
H13A H 0.7422 0.2409 0.6129 0.042 Uiso 1 1 calc R . .
C14 C 0.5525(14) 0.2660(8) 0.5218(8) 0.033(2) Uani 1 1 d . . .
H14A H 0.4702 0.2223 0.5417 0.040 Uiso 1 1 calc R . .
C15 C 0.5164(12) 0.3248(7) 0.4496(7) 0.024(2) Uani 1 1 d . . .
C16 C 0.3524(11) 0.3302(7) 0.4073(7) 0.024(2) Uani 1 1 d . . .
C17 C 0.2103(14) 0.2705(9) 0.4213(8) 0.038(3) Uani 1 1 d . . .
H17A H 0.2106 0.2208 0.4614 0.046 Uiso 1 1 calc R . .
C18 C 0.0661(13) 0.2843(10) 0.3755(9) 0.049(3) Uani 1 1 d . . .
H18A H -0.0314 0.2431 0.3839 0.058 Uiso 1 1 calc R . .
C19 C 0.0670(13) 0.3581(10) 0.3183(8) 0.043(3) Uani 1 1 d . . .
H19A H -0.0291 0.3683 0.2874 0.052 Uiso 1 1 calc R . .
C20 C 0.2153(12) 0.4185(9) 0.3066(8) 0.032(2) Uani 1 1 d . . .
H20A H 0.2182 0.4712 0.2695 0.038 Uiso 1 1 calc R . .
N1 N 0.7778(10) 0.1678(6) -0.0908(6) 0.0274(18) Uani 1 1 d . . .
N2 N 0.7035(9) 0.1893(6) 0.0766(6) 0.0227(17) Uani 1 1 d . . .
N3 N 0.6306(9) 0.3824(6) 0.4161(6) 0.0225(17) Uani 1 1 d . . .
N4 N 0.3526(10) 0.4019(7) 0.3478(6) 0.0274(18) 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
W1 O6 1.722(5) . ?
W1 O1 1.819(6) . ?
W1 O9 1.835(5) . ?
W1 O2 1.961(5) . ?
W1 O10 2.087(5) . ?
W1 O2 2.334(5) 2_665 ?
W2 O4 1.711(6) . ?
W2 O5 1.816(5) . ?
W2 O8 1.860(6) . ?
W2 O10 1.978(5) . ?
W2 O1 2.146(5) 2_665 ?
W2 O2 2.233(5) . ?
W3 O3 1.736(6) . ?
W3 O7 1.783(6) . ?
W3 O11 1.800(5) . ?
W3 O8 2.095(6) 2_665 ?
W3 O9 2.107(5) . ?
W3 O2 2.229(5) 2_665 ?
O1 W2 2.146(5) 2_665 ?
O1W Cu2 2.260(6) . ?
O2 W3 2.229(5) 2_665 ?
O2 W1 2.334(5) 2_665 ?
O5 Cu1 1.905(5) . ?
O7 Cu2 1.969(5) . ?
O8 W3 2.095(6) 2_665 ?
O10 Cu2 1.955(5) . ?
O11 Cu1 1.897(5) 2_665 ?
Cu1 O11 1.897(5) 2_665 ?
Cu1 N3 1.983(7) . ?
Cu1 N4 1.972(7) . ?
Cu2 N1 2.010(7) . ?
Cu2 N2 2.033(7) . ?
C1 N1 1.318(11) . ?
C1 C2 1.396(13) . ?
C1 H1A 0.9300 . ?
C2 C3 1.380(15) . ?
C2 H2A 0.9300 . ?
C3 C4 1.368(14) . ?
C3 H3A 0.9300 . ?
C4 C5 1.364(12) . ?
C4 H4B 0.9300 . ?
C5 N1 1.346(10) . ?
C5 C6 1.482(12) . ?
C6 N2 1.351(10) . ?
C6 C7 1.371(12) . ?
C7 C8 1.393(13) . ?
C7 H7A 0.9300 . ?
C8 C9 1.364(13) . ?
C8 H8A 0.9300 . ?
C9 C10 1.379(11) . ?
C9 H9A 0.9300 . ?
C10 N2 1.338(10) . ?
C10 H10A 0.9300 . ?
C11 N3 1.348(11) . ?
C11 C12 1.385(12) . ?
C11 H11A 0.9300 . ?
C12 C13 1.352(13) . ?
C12 H12A 0.9300 . ?
C13 C14 1.374(13) . ?
C13 H13A 0.9300 . ?
C14 C15 1.406(12) . ?
C14 H14A 0.9300 . ?
C15 N3 1.333(10) . ?
C15 C16 1.483(12) . ?
C16 N4 1.359(10) . ?
C16 C17 1.367(12) . ?
C17 C18 1.382(14) . ?
C17 H17A 0.9300 . ?
C18 C19 1.356(14) . ?
C18 H18A 0.9300 . ?
C19 C20 1.399(13) . ?
C19 H19A 0.9300 . ?
C20 N4 1.334(11) . ?
C20 H20A 0.9300 . ?

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
O6 W1 O1 103.3(2) . . ?
O6 W1 O9 106.8(2) . . ?
O1 W1 O9 98.5(2) . . ?
O6 W1 O2 102.8(2) . . ?
O1 W1 O2 92.4(2) . . ?
O9 W1 O2 145.0(2) . . ?
O6 W1 O10 97.5(2) . . ?
O1 W1 O10 157.6(2) . . ?
O9 W1 O10 83.3(2) . . ?
O2 W1 O10 74.7(2) . . ?
O6 W1 O2 176.7(2) . 2_665 ?
O1 W1 O2 76.2(2) . 2_665 ?
O9 W1 O2 76.5(2) . 2_665 ?
O2 W1 O2 74.0(2) . 2_665 ?
O10 W1 O2 82.56(19) . 2_665 ?
O4 W2 O5 102.2(3) . . ?
O4 W2 O8 106.7(3) . . ?
O5 W2 O8 94.1(2) . . ?
O4 W2 O10 103.8(3) . . ?
O5 W2 O10 91.9(2) . . ?
O8 W2 O10 146.9(2) . . ?
O4 W2 O1 91.1(2) . 2_665 ?
O5 W2 O1 166.4(2) . 2_665 ?
O8 W2 O1 84.9(2) . 2_665 ?
O10 W2 O1 81.9(2) . 2_665 ?
O4 W2 O2 163.4(2) . . ?
O5 W2 O2 93.8(2) . . ?
O8 W2 O2 76.0(2) . . ?
O10 W2 O2 71.1(2) . . ?
O1 W2 O2 72.67(19) 2_665 . ?
O3 W3 O7 103.1(3) . . ?
O3 W3 O11 102.6(3) . . ?
O7 W3 O11 101.4(3) . . ?
O3 W3 O8 94.4(3) . 2_665 ?
O7 W3 O8 156.8(2) . 2_665 ?
O11 W3 O8 89.2(2) . 2_665 ?
O3 W3 O9 96.6(2) . . ?
O7 W3 O9 85.8(2) . . ?
O11 W3 O9 157.2(2) . . ?
O8 W3 O9 77.1(2) 2_665 . ?
O3 W3 O2 164.6(3) . 2_665 ?
O7 W3 O2 88.6(2) . 2_665 ?
O11 W3 O2 84.5(2) . 2_665 ?
O8 W3 O2 71.8(2) 2_665 2_665 ?
O9 W3 O2 74.01(19) . 2_665 ?
W1 O1 W2 115.3(2) . 2_665 ?
W1 O2 W3 151.0(3) . 2_665 ?
W1 O2 W2 103.3(2) . . ?
W3 O2 W2 95.7(2) 2_665 . ?
W1 O2 W1 106.0(2) . 2_665 ?
W3 O2 W1 93.94(18) 2_665 2_665 ?
W2 O2 W1 94.46(18) . 2_665 ?
W2 O5 Cu1 130.0(3) . . ?
W3 O7 Cu2 123.4(3) . . ?
W2 O8 W3 113.4(3) . 2_665 ?
W1 O9 W3 115.4(3) . . ?
Cu2 O10 W2 134.5(3) . . ?
Cu2 O10 W1 117.0(3) . . ?
W2 O10 W1 108.2(2) . . ?
W3 O11 Cu1 141.2(3) . 2_665 ?
O11 Cu1 O5 97.2(2) 2_665 . ?
O11 Cu1 N3 155.1(3) 2_665 . ?
O5 Cu1 N3 92.9(3) . . ?
O11 Cu1 N4 93.8(3) 2_665 . ?
O5 Cu1 N4 164.8(3) . . ?
N3 Cu1 N4 81.2(3) . . ?
O10 Cu2 O7 91.7(2) . . ?
O10 Cu2 N1 172.7(3) . . ?
O7 Cu2 N1 92.6(3) . . ?
O10 Cu2 N2 93.8(2) . . ?
O7 Cu2 N2 155.4(3) . . ?
N1 Cu2 N2 79.8(3) . . ?
O10 Cu2 O1W 98.6(2) . . ?
O7 Cu2 O1W 101.1(2) . . ?
N1 Cu2 O1W 86.4(3) . . ?
N2 Cu2 O1W 101.7(3) . . ?
N1 C1 C2 121.9(10) . . ?
N1 C1 H1A 119.0 . . ?
C2 C1 H1A 119.0 . . ?
C3 C2 C1 118.5(10) . . ?
C3 C2 H2A 120.7 . . ?
C1 C2 H2A 120.7 . . ?
C4 C3 C2 118.5(10) . . ?
C4 C3 H3A 120.7 . . ?
C2 C3 H3A 120.7 . . ?
C5 C4 C3 120.5(9) . . ?
C5 C4 H4B 119.8 . . ?
C3 C4 H4B 119.8 . . ?
N1 C5 C4 121.1(8) . . ?
N1 C5 C6 114.6(7) . . ?
C4 C5 C6 124.3(8) . . ?
N2 C6 C7 121.1(9) . . ?
N2 C6 C5 114.1(7) . . ?
C7 C6 C5 124.8(8) . . ?
C6 C7 C8 120.0(9) . . ?
C6 C7 H7A 120.0 . . ?
C8 C7 H7A 120.0 . . ?
C9 C8 C7 118.1(9) . . ?
C9 C8 H8A 120.9 . . ?
C7 C8 H8A 120.9 . . ?
C8 C9 C10 119.9(9) . . ?
C8 C9 H9A 120.0 . . ?
C10 C9 H9A 120.0 . . ?
N2 C10 C9 121.8(8) . . ?
N2 C10 H10A 119.1 . . ?
C9 C10 H10A 119.1 . . ?
N3 C11 C12 122.0(8) . . ?
N3 C11 H11A 119.0 . . ?
C12 C11 H11A 119.0 . . ?
C13 C12 C11 118.8(9) . . ?
C13 C12 H12A 120.6 . . ?
C11 C12 H12A 120.6 . . ?
C12 C13 C14 120.8(9) . . ?
C12 C13 H13A 119.6 . . ?
C14 C13 H13A 119.6 . . ?
C13 C14 C15 117.8(9) . . ?
C13 C14 H14A 121.1 . . ?
C15 C14 H14A 121.1 . . ?
N3 C15 C14 121.7(9) . . ?
N3 C15 C16 115.0(7) . . ?
C14 C15 C16 123.3(8) . . ?
N4 C16 C17 120.6(9) . . ?
N4 C16 C15 112.6(7) . . ?
C17 C16 C15 126.7(8) . . ?
C16 C17 C18 119.6(9) . . ?
C16 C17 H17A 120.2 . . ?
C18 C17 H17A 120.2 . . ?
C19 C18 C17 119.9(10) . . ?
C19 C18 H18A 120.1 . . ?
C17 C18 H18A 120.1 . . ?
C18 C19 C20 118.8(10) . . ?
C18 C19 H19A 120.6 . . ?
C20 C19 H19A 120.6 . . ?
N4 C20 C19 121.2(9) . . ?
N4 C20 H20A 119.4 . . ?
C19 C20 H20A 119.4 . . ?
C1 N1 C5 119.5(8) . . ?
C1 N1 Cu2 124.4(6) . . ?
C5 N1 Cu2 116.1(6) . . ?
C10 N2 C6 119.0(7) . . ?
C10 N2 Cu2 125.5(6) . . ?
C6 N2 Cu2 115.4(6) . . ?
C15 N3 C11 118.9(7) . . ?
C15 N3 Cu1 115.1(6) . . ?
C11 N3 Cu1 125.6(6) . . ?
C20 N4 C16 119.8(8) . . ?
C20 N4 Cu1 124.4(6) . . ?
C16 N4 Cu1 115.8(6) . . ?

_diffrn_measured_fraction_theta_max 0.995
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.995
_refine_diff_density_max         1.060
_refine_diff_density_min         -0.879
_refine_diff_density_rms         0.210
####################################################################### 
# 
# 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_compound-2
_database_code_depnum_ccdc_archive 'CCDC 1882735'
loop_
_audit_author_name
_audit_author_address
'Aixiang Tian'
;Department of Chemistry, Bohai University, Jinzhou, 121000
China
;
_audit_update_record             
;
2018-12-02 deposited with the CCDC.	2019-03-21 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C4 H72 Cu N4 Na8 O74 W12'
_chemical_formula_weight         3814

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'
W W -0.8490 6.8722 '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'
K K 0.2009 0.2494 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.0362 0.0249 '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

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.802(5)
_cell_length_b                   12.989(5)
_cell_length_c                   14.210(6)
_cell_angle_alpha                63.158(7)
_cell_angle_beta                 82.957(8)
_cell_angle_gamma                68.761(7)
_cell_volume                     1809.4(13)
_cell_formula_units_Z            1
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    8883
_cell_measurement_theta_min      1.61
_cell_measurement_theta_max      28.34

_exptl_crystal_description       block
_exptl_crystal_colour            blue
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    3.441
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1657
_exptl_absorpt_coefficient_mu    19.445
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.082
_exptl_absorpt_correction_T_max  0.143
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      296(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  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        none
_diffrn_reflns_number            13249
_diffrn_reflns_av_R_equivalents  0.0293
_diffrn_reflns_av_sigmaI/netI    0.0676
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         1.61
_diffrn_reflns_theta_max         28.34
_reflns_number_total             9020
_reflns_number_gt                6530
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'SMART (Bruker, 2001)'
_computing_cell_refinement       'SMART (Bruker, 2001)'
_computing_data_reduction        'SAINT+ (Bruker, 1999)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'PLATON (Spek, 2003)'
_computing_publication_material  'SHELXTL (1998)'

_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)+(0.0168P)²+17.8173P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     SHELXL
_refine_ls_extinction_coef       0.00009(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         8883
_refine_ls_number_parameters     422
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0680
_refine_ls_R_factor_gt           0.0382
_refine_ls_wR_factor_ref         0.0754
_refine_ls_wR_factor_gt          0.0674
_refine_ls_goodness_of_fit_ref   1.004
_refine_ls_restrained_S_all      1.004
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
W1 W 0.69799(4) 1.19927(3) 0.31834(3) 0.01362(9) Uani 1 1 d . . .
W2 W 0.52114(4) 1.21984(4) 0.14152(3) 0.01653(10) Uani 1 1 d . . .
W3 W 0.64069(3) 0.75197(3) 0.62465(3) 0.01125(9) Uani 1 1 d . . .
W4 W 0.65791(3) 0.90952(3) 0.36307(3) 0.01134(9) Uani 1 1 d . . .
W5 W 0.33054(4) 1.06796(3) 0.23958(3) 0.01286(9) Uani 1 1 d . . .
W6 W 0.46571(3) 0.75622(3) 0.45633(3) 0.01185(9) Uani 1 1 d . . .
O1 O 0.4853(8) 1.3768(7) 0.0694(6) 0.034(2) Uani 1 1 d . . .
O2 O 0.1729(6) 1.1313(6) 0.2353(6) 0.0239(18) Uani 1 1 d . . .
O2W O 0.8190(9) 1.0722(9) 0.0268(8) 0.059(3) Uani 1 1 d . . .
O3 O 0.3560(7) 1.0276(7) 0.1351(6) 0.0275(18) Uani 1 1 d . . .
O3W O 0.4163(10) 0.5452(9) 0.1651(8) 0.054(3) Uani 1 1 d . . .
O4 O 0.5636(7) 1.1687(7) 0.0442(6) 0.0311(19) Uani 1 1 d . . .
O4W O 0.9174(9) 0.8151(10) -0.0187(8) 0.059(3) Uani 1 1 d . . .
O5 O 0.6893(7) 1.3525(6) 0.2427(6) 0.0253(18) Uani 1 1 d . . .
O5W O 1.0659(8) 0.8286(8) 0.1640(7) 0.045(2) Uani 1 1 d . . .
O6 O 0.8552(6) 1.1250(6) 0.3372(6) 0.0225(17) Uani 1 1 d . . .
O6W O 0.8534(8) 0.6482(8) 0.2556(7) 0.041(2) Uani 1 1 d . . .
O7 O 0.4224(7) 0.6517(6) 0.4380(5) 0.0203(16) Uani 1 1 d . . .
O7W O 0.6320(8) 0.5033(7) 0.3519(7) 0.043(2) Uani 1 1 d . . .
O8 O 0.7491(6) 0.6185(6) 0.7120(6) 0.0242(17) Uani 1 1 d . . .
O8W O 0.2006(8) 0.5961(7) 0.3187(7) 0.040(2) Uani 1 1 d . . .
O9 O 0.6813(6) 1.1742(6) 0.1951(5) 0.0209(16) Uani 1 1 d . . .
O9W O 0.6431(7) 0.8996(7) 0.0864(6) 0.034(2) Uani 1 1 d . . .
O10 O 0.5262(6) 1.0287(6) 0.2633(5) 0.0149(15) Uani 1 1 d . . .
O10W O 0.4218(8) 0.7759(7) 0.1790(7) 0.034(2) Uani 1 1 d . . .
O11 O 0.5864(6) 0.7834(5) 0.3629(5) 0.0144(14) Uani 1 1 d . . .
O12 O 0.4995(6) 0.7592(5) 0.7047(5) 0.0120(14) Uani 1 1 d . . .
O13 O 0.3582(6) 1.2245(6) 0.1588(5) 0.0166(15) Uani 1 1 d . . .
O14 O 0.6617(6) 1.2064(6) 0.4475(5) 0.0148(15) Uani 1 1 d . . .
O15 O 0.5718(6) 0.6554(5) 0.5737(5) 0.0167(15) Uani 1 1 d . . .
O16 O 0.7743(6) 0.8834(6) 0.2840(6) 0.0217(16) Uani 1 1 d . . .
O17 O 0.6814(6) 1.0173(5) 0.3982(5) 0.0156(15) Uani 1 1 d . . .
O18 O 0.6670(6) 0.8729(5) 0.6359(5) 0.0162(15) Uani 1 1 d . . .
O19 O 0.7334(6) 0.7695(5) 0.4993(5) 0.0122(14) Uani 1 1 d . . .
O20 O 0.5143(6) 0.8923(5) 0.4846(5) 0.0108(14) Uani 1 1 d . . .
O21 O 0.3540(6) 0.9132(6) 0.3515(5) 0.0157(15) Uani 1 1 d . . .
Cu1 Cu 1.0000 1.0000 0.5000 0.0230(4) Uani 1 2 d S . .
Na2 Na 0.8578(5) 0.8482(5) 0.1339(4) 0.0394(12) Uani 1 1 d . . .
Na1 Na 0.4088(5) 0.5816(5) 0.3130(4) 0.0386(12) Uani 1 1 d . . .
C2 C 1.0611(12) 0.8064(12) 0.4365(10) 0.040(3) Uani 1 1 d . . .
H2A H 1.1277 0.7389 0.4309 0.048 Uiso 1 1 calc R . .
H2B H 0.9989 0.8373 0.3821 0.048 Uiso 1 1 calc R . .
N2 N 1.1052(8) 0.9057(8) 0.4225(7) 0.024(2) Uani 1 1 d . . .
O1W O -0.0512(8) 1.3202(7) 0.1795(7) 0.038(2) Uiso 1 1 d . . .
O11W O -0.0250(8) 1.5081(7) -0.1907(7) 0.036(2) Uiso 1 1 d . . .
O16W O 1.0370(9) 0.9509(9) -0.1803(8) 0.054(3) Uiso 1 1 d . . .
O15W O 0.1479(8) 1.4019(8) 0.0209(7) 0.046(2) Uiso 1 1 d . . .
O14W O 0.6646(9) 0.6060(9) 0.1143(8) 0.055(3) Uiso 1 1 d . . .
O13W O 0.8696(9) 0.5512(9) 0.4842(8) 0.057(3) Uiso 1 1 d . . .
O12W O -0.2474(11) 1.3776(11) 0.0032(10) 0.080(4) Uiso 1 1 d . . .
Na3 Na 0.6401(4) 0.7061(4) 0.2298(4) 0.0328(11) Uiso 1 1 d . . .
C1 C 1.0086(12) 0.7620(11) 0.5453(10) 0.036(3) Uani 1 1 d . . .
H1A H 0.9683 0.7057 0.5529 0.044 Uiso 1 1 calc R . .
H1B H 1.0732 0.7193 0.5999 0.044 Uiso 1 1 calc R . .
N1 N 0.9213(8) 0.8696(8) 0.5555(8) 0.028(2) Uani 1 1 d . . .
Na4 Na -0.0484(5) 1.3930(5) -0.0079(5) 0.0512(14) Uiso 1 1 d . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
W1 O6 1.743(7) . ?
W1 O5 1.754(7) . ?
W1 O14 1.869(7) . ?
W1 O9 1.964(7) . ?
W1 O17 2.184(6) . ?
W1 O12 2.225(6) 2_676 ?
W2 O1 1.726(7) . ?
W2 O4 1.739(9) . ?
W2 O13 1.891(7) . ?
W2 O9 1.907(7) . ?
W2 O10 2.280(6) . ?
W2 O12 2.295(7) 2_676 ?
W3 O8 1.739(7) . ?
W3 O18 1.783(6) . ?
W3 O12 1.897(7) . ?
W3 O19 1.938(7) . ?
W3 O15 2.112(6) . ?
W3 O20 2.234(6) . ?
W4 O16 1.700(8) . ?
W4 O17 1.798(6) . ?
W4 O10 1.907(6) . ?
W4 O19 1.980(6) . ?
W4 O11 2.098(6) . ?
W4 O20 2.262(7) . ?
W5 O2 1.736(7) . ?
W5 O3 1.746(8) . ?
W5 O21 1.861(6) . ?
W5 O13 1.959(6) . ?
W5 O10 2.211(6) . ?
W5 O18 2.232(7) 2_676 ?
W6 O7 1.740(6) . ?
W6 O11 1.842(7) . ?
W6 O15 1.848(6) . ?
W6 O21 1.976(6) . ?
W6 O14 1.982(7) 2_676 ?
W6 O20 2.246(6) . ?
O2W Na2 2.490(11) . ?
O3W Na1 2.340(11) . ?
O4W Na2 2.374(12) . ?
O4W Na4 2.456(12) 2_675 ?
O5W Na2 2.447(10) . ?
O6W Na3 2.375(9) . ?
O6W Na2 2.400(10) . ?
O7 Na1 2.374(9) . ?
O7W Na3 2.444(9) . ?
O7W Na1 2.486(11) . ?
O8W Na1 2.389(10) . ?
O9W Na3 2.427(9) . ?
O9W Na2 2.472(9) . ?
O10W Na1 2.427(9) . ?
O10W Na3 2.480(9) . ?
O11 Na3 2.438(9) . ?
O12 W1 2.225(6) 2_676 ?
O12 W2 2.295(7) 2_676 ?
O14 W6 1.982(7) 2_676 ?
O15 Na1 2.689(8) 2_666 ?
O16 Na2 2.401(10) . ?
O18 W5 2.232(7) 2_676 ?
Cu1 N2 2.009(9) 2_776 ?
Cu1 N2 2.009(9) . ?
Cu1 N1 2.026(9) . ?
Cu1 N1 2.026(9) 2_776 ?
Na2 Na3 3.488(7) . ?
Na2 Na4 4.130(8) 2_675 ?
Na1 O15 2.689(8) 2_666 ?
Na1 Na3 3.484(7) . ?
C2 N2 1.485(14) . ?
C2 C1 1.525(18) . ?
O1W Na4 2.390(11) . ?
O11W Na4 2.383(10) . ?
O15W Na4 2.419(11) 2_585 ?
O15W Na4 2.453(10) . ?
O14W Na3 2.451(12) . ?
O12W Na4 2.409(13) . ?
C1 N1 1.463(16) . ?
Na4 O15W 2.419(11) 2_585 ?
Na4 O4W 2.456(12) 2_675 ?
Na4 Na4 3.465(11) 2_585 ?
Na4 Na2 4.130(8) 2_675 ?

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
O6 W1 O5 100.6(3) . . ?
O6 W1 O14 100.0(3) . . ?
O5 W1 O14 97.3(3) . . ?
O6 W1 O9 95.9(3) . . ?
O5 W1 O9 94.1(3) . . ?
O14 W1 O9 158.3(3) . . ?
O6 W1 O17 87.4(3) . . ?
O5 W1 O17 170.6(3) . . ?
O14 W1 O17 85.9(3) . . ?
O9 W1 O17 80.2(3) . . ?
O6 W1 O12 162.6(3) . 2_676 ?
O5 W1 O12 94.1(3) . 2_676 ?
O14 W1 O12 87.1(3) . 2_676 ?
O9 W1 O12 73.7(3) . 2_676 ?
O17 W1 O12 77.2(2) . 2_676 ?
O1 W2 O4 102.2(4) . . ?
O1 W2 O13 95.6(3) . . ?
O4 W2 O13 101.2(3) . . ?
O1 W2 O9 100.6(3) . . ?
O4 W2 O9 97.0(3) . . ?
O13 W2 O9 152.4(3) . . ?
O1 W2 O10 164.4(4) . . ?
O4 W2 O10 90.7(3) . . ?
O13 W2 O10 73.0(2) . . ?
O9 W2 O10 86.3(3) . . ?
O1 W2 O12 90.0(3) . 2_676 ?
O4 W2 O12 165.7(3) . 2_676 ?
O13 W2 O12 84.8(3) . 2_676 ?
O9 W2 O12 73.1(3) . 2_676 ?
O10 W2 O12 78.5(2) . 2_676 ?
O8 W3 O18 104.3(3) . . ?
O8 W3 O12 102.3(3) . . ?
O18 W3 O12 95.1(3) . . ?
O8 W3 O19 96.5(3) . . ?
O18 W3 O19 93.9(3) . . ?
O12 W3 O19 156.5(3) . . ?
O8 W3 O15 93.2(3) . . ?
O18 W3 O15 162.3(2) . . ?
O12 W3 O15 82.8(3) . . ?
O19 W3 O15 82.1(3) . . ?
O8 W3 O20 163.1(3) . . ?
O18 W3 O20 89.2(2) . . ?
O12 W3 O20 86.0(3) . . ?
O19 W3 O20 72.3(2) . . ?
O15 W3 O20 73.1(2) . . ?
O16 W4 O17 103.9(3) . . ?
O16 W4 O10 102.4(3) . . ?
O17 W4 O10 94.9(3) . . ?
O16 W4 O19 98.9(3) . . ?
O17 W4 O19 92.1(3) . . ?
O10 W4 O19 155.2(3) . . ?
O16 W4 O11 95.9(3) . . ?
O17 W4 O11 159.9(3) . . ?
O10 W4 O11 83.9(2) . . ?
O19 W4 O11 81.4(2) . . ?
O16 W4 O20 165.5(3) . . ?
O17 W4 O20 87.3(3) . . ?
O10 W4 O20 85.6(3) . . ?
O19 W4 O20 71.0(2) . . ?
O11 W4 O20 72.7(2) . . ?
O2 W5 O3 102.6(4) . . ?
O2 W5 O21 99.7(3) . . ?
O3 W5 O21 99.1(3) . . ?
O2 W5 O13 96.1(3) . . ?
O3 W5 O13 95.0(3) . . ?
O21 W5 O13 155.9(3) . . ?
O2 W5 O10 162.4(3) . . ?
O3 W5 O10 92.6(3) . . ?
O21 W5 O10 86.4(3) . . ?
O13 W5 O10 73.5(2) . . ?
O2 W5 O18 87.1(3) . 2_676 ?
O3 W5 O18 168.4(3) . 2_676 ?
O21 W5 O18 85.2(3) . 2_676 ?
O13 W5 O18 77.5(3) . 2_676 ?
O10 W5 O18 76.9(3) . 2_676 ?
O7 W6 O11 104.8(3) . . ?
O7 W6 O15 102.3(3) . . ?
O11 W6 O15 94.6(3) . . ?
O7 W6 O21 100.5(3) . . ?
O11 W6 O21 86.9(3) . . ?
O15 W6 O21 156.0(3) . . ?
O7 W6 O14 98.8(3) . 2_676 ?
O11 W6 O14 155.3(3) . 2_676 ?
O15 W6 O14 87.6(3) . 2_676 ?
O21 W6 O14 81.5(3) . 2_676 ?
O7 W6 O20 177.4(3) . . ?
O11 W6 O20 77.8(3) . . ?
O15 W6 O20 77.8(2) . . ?
O21 W6 O20 79.1(2) . . ?
O14 W6 O20 78.6(3) 2_676 . ?
Na2 O4W Na4 117.5(4) . 2_675 ?
Na3 O6W Na2 93.9(3) . . ?
W6 O7 Na1 143.9(4) . . ?
Na3 O7W Na1 89.9(3) . . ?
W2 O9 W1 118.0(4) . . ?
Na3 O9W Na2 90.8(3) . . ?
W4 O10 W5 138.9(3) . . ?
W4 O10 W2 125.1(3) . . ?
W5 O10 W2 94.4(2) . . ?
Na1 O10W Na3 90.5(3) . . ?
W6 O11 W4 114.6(3) . . ?
W6 O11 Na3 123.7(3) . . ?
W4 O11 Na3 121.1(3) . . ?
W3 O12 W1 138.5(3) . 2_676 ?
W3 O12 W2 125.0(3) . 2_676 ?
W1 O12 W2 94.5(3) 2_676 2_676 ?
W2 O13 W5 117.7(3) . . ?
W1 O14 W6 147.4(3) . 2_676 ?
W6 O15 W3 113.6(3) . . ?
W6 O15 Na1 120.5(3) . 2_666 ?
W3 O15 Na1 124.7(3) . 2_666 ?
W4 O16 Na2 152.4(4) . . ?
W4 O17 W1 138.1(4) . . ?
W3 O18 W5 138.5(4) . 2_676 ?
W3 O19 W4 118.1(3) . . ?
W3 O20 W6 95.5(2) . . ?
W3 O20 W4 96.7(2) . . ?
W6 O20 W4 94.8(3) . . ?
W5 O21 W6 149.2(4) . . ?
N2 Cu1 N2 180.000(1) 2_776 . ?
N2 Cu1 N1 95.0(4) 2_776 . ?
N2 Cu1 N1 85.0(4) . . ?
N2 Cu1 N1 85.0(4) 2_776 2_776 ?
N2 Cu1 N1 95.0(4) . 2_776 ?
N1 Cu1 N1 180.000(2) . 2_776 ?
O4W Na2 O16 173.4(4) . . ?
O4W Na2 O6W 99.6(4) . . ?
O16 Na2 O6W 79.0(3) . . ?
O4W Na2 O5W 89.9(4) . . ?
O16 Na2 O5W 96.8(3) . . ?
O6W Na2 O5W 102.0(3) . . ?
O4W Na2 O9W 89.5(3) . . ?
O16 Na2 O9W 84.0(3) . . ?
O6W Na2 O9W 86.3(3) . . ?
O5W Na2 O9W 171.7(3) . . ?
O4W Na2 O2W 90.2(4) . . ?
O16 Na2 O2W 90.3(4) . . ?
O6W Na2 O2W 167.0(4) . . ?
O5W Na2 O2W 86.5(3) . . ?
O9W Na2 O2W 85.2(3) . . ?
O4W Na2 Na3 101.8(3) . . ?
O16 Na2 Na3 72.7(2) . . ?
O6W Na2 Na3 42.8(2) . . ?
O5W Na2 Na3 143.9(3) . . ?
O9W Na2 Na3 44.1(2) . . ?
O2W Na2 Na3 126.9(3) . . ?
O4W Na2 Na4 31.8(3) . 2_675 ?
O16 Na2 Na4 149.7(2) . 2_675 ?
O6W Na2 Na4 72.3(3) . 2_675 ?
O5W Na2 Na4 80.1(3) . 2_675 ?
O9W Na2 Na4 103.5(3) . 2_675 ?
O2W Na2 Na4 119.4(3) . 2_675 ?
Na3 Na2 Na4 92.07(16) . 2_675 ?
O3W Na1 O7 166.9(4) . . ?
O3W Na1 O8W 86.0(4) . . ?
O7 Na1 O8W 102.5(4) . . ?
O3W Na1 O10W 81.6(3) . . ?
O7 Na1 O10W 86.3(3) . . ?
O8W Na1 O10W 107.9(3) . . ?
O3W Na1 O7W 97.5(4) . . ?
O7 Na1 O7W 77.5(3) . . ?
O8W Na1 O7W 162.4(3) . . ?
O10W Na1 O7W 89.7(3) . . ?
O3W Na1 O15 85.5(3) . 2_666 ?
O7 Na1 O15 105.8(3) . 2_666 ?
O8W Na1 O15 78.4(3) . 2_666 ?
O10W Na1 O15 165.1(4) . 2_666 ?
O7W Na1 O15 84.6(3) . 2_666 ?
O3W Na1 Na3 93.2(3) . . ?
O7 Na1 Na3 74.7(2) . . ?
O8W Na1 Na3 152.9(3) . . ?
O10W Na1 Na3 45.4(2) . . ?
O7W Na1 Na3 44.5(2) . . ?
O15 Na1 Na3 128.6(2) 2_666 . ?
N2 C2 C1 108.1(10) . . ?
C2 N2 Cu1 109.6(7) . . ?
Na4 O15W Na4 90.7(4) 2_585 . ?
O6W Na3 O9W 87.9(3) . . ?
O6W Na3 O11 94.9(3) . . ?
O9W Na3 O11 95.1(3) . . ?
O6W Na3 O7W 94.9(3) . . ?
O9W Na3 O7W 170.8(4) . . ?
O11 Na3 O7W 93.4(3) . . ?
O6W Na3 O14W 93.0(4) . . ?
O9W Na3 O14W 93.9(4) . . ?
O11 Na3 O14W 168.2(4) . . ?
O7W Na3 O14W 77.2(3) . . ?
O6W Na3 O10W 172.8(4) . . ?
O9W Na3 O10W 87.0(3) . . ?
O11 Na3 O10W 90.6(3) . . ?
O7W Na3 O10W 89.4(3) . . ?
O14W Na3 O10W 82.3(3) . . ?
O6W Na3 Na2 43.4(2) . . ?
O9W Na3 Na2 45.1(2) . . ?
O11 Na3 Na2 91.2(2) . . ?
O7W Na3 Na2 138.2(3) . . ?
O14W Na3 Na2 100.6(3) . . ?
O10W Na3 Na2 132.0(2) . . ?
O6W Na3 Na1 140.4(3) . . ?
O9W Na3 Na1 131.1(3) . . ?
O11 Na3 Na1 89.0(2) . . ?
O7W Na3 Na1 45.5(2) . . ?
O14W Na3 Na1 79.3(3) . . ?
O10W Na3 Na1 44.1(2) . . ?
Na2 Na3 Na1 176.18(18) . . ?
N1 C1 C2 108.0(10) . . ?
C1 N1 Cu1 106.9(7) . . ?
O11W Na4 O1W 163.0(4) . . ?
O11W Na4 O12W 105.7(4) . . ?
O1W Na4 O12W 85.8(4) . . ?
O11W Na4 O15W 81.1(4) . 2_585 ?
O1W Na4 O15W 87.0(4) . 2_585 ?
O12W Na4 O15W 87.5(4) . 2_585 ?
O11W Na4 O15W 85.7(3) . . ?
O1W Na4 O15W 81.9(3) . . ?
O12W Na4 O15W 167.5(5) . . ?
O15W Na4 O15W 89.3(4) 2_585 . ?
O11W Na4 O4W 100.7(4) . 2_675 ?
O1W Na4 O4W 89.0(4) . 2_675 ?
O12W Na4 O4W 101.2(4) . 2_675 ?
O15W Na4 O4W 170.1(4) 2_585 2_675 ?
O15W Na4 O4W 81.2(4) . 2_675 ?
O11W Na4 Na4 80.8(3) . 2_585 ?
O1W Na4 Na4 82.2(3) . 2_585 ?
O12W Na4 Na4 131.4(4) . 2_585 ?
O15W Na4 Na4 45.1(2) 2_585 2_585 ?
O15W Na4 Na4 44.3(3) . 2_585 ?
O4W Na4 Na4 125.4(4) 2_675 2_585 ?
O11W Na4 Na2 71.1(3) . 2_675 ?
O1W Na4 Na2 119.6(3) . 2_675 ?
O12W Na4 Na2 101.2(4) . 2_675 ?
O15W Na4 Na2 152.2(3) 2_585 2_675 ?
O15W Na4 Na2 87.1(3) . 2_675 ?
O4W Na4 Na2 30.6(3) 2_675 2_675 ?
Na4 Na4 Na2 125.6(3) 2_585 2_675 ?

_diffrn_measured_fraction_theta_max 0.984
_diffrn_reflns_theta_full        28.34
_diffrn_measured_fraction_theta_full 0.984
_refine_diff_density_max         2.944
_refine_diff_density_min         -2.912
_refine_diff_density_rms         0.350
