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


data_ad-165a

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C38 H40 Cu2 N4 Na2 O10, 2(Cl O4), H2 O'
_chemical_formula_sum            'C38 H42 Cl2 Cu2 N4 Na2 O19'
_chemical_formula_weight         1102.72

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.0362 0.0249 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   P21
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_Int_Tables_number      4

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z'

_cell_length_a                   9.7605(2)
_cell_length_b                   17.0778(3)
_cell_length_c                   12.4657(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 94.379(2)
_cell_angle_gamma                90.00
_cell_volume                     2071.81(7)
_cell_formula_units_Z            2
_cell_measurement_temperature    120(2)
_cell_measurement_reflns_used    3911
_cell_measurement_theta_min      3.1674
_cell_measurement_theta_max      30.4870

_exptl_crystal_description       block
_exptl_crystal_colour            brown
_exptl_crystal_size_max          0.4749
_exptl_crystal_size_mid          0.2297
_exptl_crystal_size_min          0.2117
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.768
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1128
_exptl_absorpt_coefficient_mu    1.265
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
7 1 -16 0.0423 7.0000 1.0000 -16.0000 -0.2153 -0.8768 -0.4581
-7 -1 16 0.1694 -7.0000 -1.0000 16.0000 0.2153 0.8768 0.4581
0 24 3 0.2201 -0.0000 24.0000 3.0000 -0.1045 -0.3443 0.9453
0 -24 -3 0.2201 0.0000 -24.0000 -3.0000 0.1045 0.3443 -0.9453
12 0 8 0.1148 12.0000 0.0000 8.0000 -0.9893 0.2247 0.0650
-12 0 -8 0.1148 -12.0000 -0.0000 -8.0000 0.9893 -0.2247 -0.0650
-7 20 4 0.1781 -7.0000 20.0000 4.0000 0.3814 -0.1233 0.9086
7 -20 -4 0.1781 7.0000 -20.0000 -4.0000 -0.3814 0.1233 -0.9086
_exptl_absorpt_correction_T_min  0.719
_exptl_absorpt_correction_T_max  0.819
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.11 (release 16-05-2011 CrysAlis171 .NET)
(compiled May 16 2011,17:55:39)
Analytical numeric absorption correction using a multifaceted crystal
			model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
;

_diffrn_ambient_temperature      120(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini ultra'
_diffrn_detector_area_resol_mean 16.1183
_diffrn_measurement_method       'ω scans'

_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            11390
_diffrn_reflns_av_R_equivalents  0.0278
_diffrn_reflns_av_sigmaI/netI    0.0541
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       5
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         3.17
_diffrn_reflns_theta_max         30.56
_reflns_number_total             7842
_reflns_number_gt                6969
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.11 (release 16-05-2011 CrysAlis171 .NET)
(compiled May 16 2011,17:55:39)
;
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.11 (release 16-05-2011 CrysAlis171 .NET)
(compiled May 16 2011,17:55:39)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.11 (release 16-05-2011 CrysAlis171 .NET)
(compiled May 16 2011,17:55:39)
;
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    
;ORTEP-3 (Farrugia, 1997)
WINGX-32 (Farrugia, 1999) 
;
_computing_publication_material  'enCIFer 1.1 (CCDC, 2005)'

_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)+(0.0446P)²+0.0000P] 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
_chemical_absolute_configuration ad
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.000(11)
_refine_ls_number_reflns         7842
_refine_ls_number_parameters     614
_refine_ls_number_restraints     4
_refine_ls_R_factor_all          0.0464
_refine_ls_R_factor_gt           0.0373
_refine_ls_wR_factor_ref         0.0880
_refine_ls_wR_factor_gt          0.0830
_refine_ls_goodness_of_fit_ref   1.024
_refine_ls_restrained_S_all      1.024
_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
C1 C 0.3284(3) -0.1239(2) -0.4035(3) 0.0141(7) Uani 1 1 d . . .
C2 C 0.4176(4) -0.0780(2) -0.4642(3) 0.0182(7) Uani 1 1 d . . .
C3 C 0.5220(4) -0.0336(2) -0.4136(3) 0.0176(7) Uani 1 1 d . . .
H18 H 0.5816 -0.0045 -0.4553 0.021 Uiso 1 1 calc R . .
C4 C 0.5404(4) -0.0312(2) -0.2999(3) 0.0201(8) Uani 1 1 d . . .
H1F H 0.6122 -0.0007 -0.2654 0.024 Uiso 1 1 calc R . .
C5 C 0.4545(4) -0.0730(2) -0.2401(3) 0.0181(7) Uani 1 1 d . . .
H19 H 0.4661 -0.0706 -0.1639 0.022 Uiso 1 1 calc R . .
C6 C 0.3480(4) -0.1199(2) -0.2903(3) 0.0155(7) Uani 1 1 d . . .
C7 C 0.2624(4) -0.1628(2) -0.2227(3) 0.0168(7) Uani 1 1 d . . .
H11 H 0.2806 -0.1548 -0.1475 0.020 Uiso 1 1 calc R . .
C8 C 0.4581(4) -0.0265(2) -0.6373(3) 0.0218(8) Uani 1 1 d . . .
H1CA H 0.5570 -0.0372 -0.6343 0.033 Uiso 1 1 calc R . .
H1CB H 0.4427 0.0259 -0.6088 0.033 Uiso 1 1 calc R . .
H1CC H 0.4195 -0.0294 -0.7121 0.033 Uiso 1 1 calc R . .
C9 C 0.1041(3) -0.2478(2) -0.1567(3) 0.0180(7) Uani 1 1 d . . .
H10A H 0.1178 -0.2122 -0.0942 0.022 Uiso 1 1 calc R . .
H10B H 0.1549 -0.2968 -0.1384 0.022 Uiso 1 1 calc R . .
C10 C -0.0481(4) -0.2667(2) -0.1753(3) 0.0156(7) Uani 1 1 d . . .
H16 H -0.0802 -0.2851 -0.1053 0.019 Uiso 1 1 calc R . .
C11 C -0.0764(4) -0.3314(2) -0.2564(3) 0.0178(7) Uani 1 1 d . . .
H1DA H -0.0159 -0.3764 -0.2365 0.021 Uiso 1 1 calc R . .
H1DB H -0.1727 -0.3490 -0.2536 0.021 Uiso 1 1 calc R . .
C12 C -0.0344(4) -0.2953(2) -0.6064(3) 0.0137(7) Uani 1 1 d . . .
C13 C -0.0360(4) -0.3003(2) -0.7204(3) 0.0147(7) Uani 1 1 d . . .
C14 C -0.1329(4) -0.3464(2) -0.7792(3) 0.0186(8) Uani 1 1 d . . .
H21 H -0.1307 -0.3504 -0.8550 0.022 Uiso 1 1 calc R . .
C15 C -0.2334(4) -0.3869(2) -0.7268(3) 0.0191(8) Uani 1 1 d . . .
H1J H -0.2985 -0.4189 -0.7669 0.023 Uiso 1 1 calc R . .
C16 C -0.2375(4) -0.3802(2) -0.6176(3) 0.0182(8) Uani 1 1 d . . .
H22 H -0.3082 -0.4060 -0.5830 0.022 Uiso 1 1 calc R . .
C17 C -0.1388(4) -0.3358(2) -0.5556(3) 0.0141(7) Uani 1 1 d . . .
C18 C -0.1403(4) -0.3383(2) -0.4400(3) 0.0166(7) Uani 1 1 d . . .
H1I H -0.2143 -0.3664 -0.4131 0.020 Uiso 1 1 calc R . .
C19 C 0.0565(4) -0.2528(3) -0.8797(3) 0.0248(9) Uani 1 1 d . . .
H1HA H -0.0340 -0.2327 -0.9058 0.037 Uiso 1 1 calc R . .
H1HB H 0.0699 -0.3049 -0.9100 0.037 Uiso 1 1 calc R . .
H1HC H 0.1281 -0.2173 -0.9019 0.037 Uiso 1 1 calc R . .
C20 C -0.1773(4) -0.1138(2) -0.5697(3) 0.0154(7) Uani 1 1 d . . .
C21 C -0.0843(4) -0.0718(2) -0.4957(3) 0.0153(7) Uani 1 1 d . . .
C22 C 0.0255(4) -0.0315(2) -0.5306(3) 0.0182(7) Uani 1 1 d . . .
H1B H 0.0874 -0.0053 -0.4801 0.022 Uiso 1 1 calc R . .
C23 C 0.0470(4) -0.0288(2) -0.6417(3) 0.0193(8) Uani 1 1 d . . .
H27 H 0.1237 -0.0013 -0.6654 0.023 Uiso 1 1 calc R . .
C24 C -0.0423(4) -0.0658(2) -0.7147(3) 0.0183(7) Uani 1 1 d . . .
H23A H -0.0282 -0.0631 -0.7892 0.022 Uiso 1 1 calc R . .
C25 C -0.1562(3) -0.1081(2) -0.6799(3) 0.0144(7) Uani 1 1 d . . .
C26 C -0.2496(4) -0.1428(2) -0.7606(3) 0.0156(7) Uani 1 1 d . . .
H3 H -0.2313 -0.1322 -0.8330 0.019 Uiso 1 1 calc R . .
C27 C -0.0366(4) -0.0286(2) -0.3138(3) 0.0218(8) Uani 1 1 d . . .
H26A H -0.0719 -0.0344 -0.2427 0.033 Uiso 1 1 calc R . .
H26B H -0.0437 0.0263 -0.3363 0.033 Uiso 1 1 calc R . .
H26C H 0.0599 -0.0450 -0.3102 0.033 Uiso 1 1 calc R . .
C28 C -0.4305(4) -0.2092(2) -0.8516(3) 0.0212(8) Uani 1 1 d . . .
H1KA H -0.3827 -0.2540 -0.8825 0.025 Uiso 1 1 calc R . .
H1KB H -0.4279 -0.1650 -0.9027 0.025 Uiso 1 1 calc R . .
C29 C -0.5786(3) -0.2316(2) -0.8407(2) 0.0173(7) Uani 1 1 d . . .
H14 H -0.6227 -0.2412 -0.9146 0.021 Uiso 1 1 calc R . .
C30 C -0.5931(4) -0.3056(2) -0.7755(3) 0.0188(8) Uani 1 1 d . . .
H8A H -0.6883 -0.3254 -0.7879 0.023 Uiso 1 1 calc R . .
H8B H -0.5304 -0.3460 -0.8007 0.023 Uiso 1 1 calc R . .
C31 C -0.5244(3) -0.2995(2) -0.4197(3) 0.0130(7) Uani 1 1 d . . .
C32 C -0.5199(4) -0.3112(2) -0.3066(3) 0.0160(7) Uani 1 1 d . . .
C33 C -0.6135(4) -0.3594(2) -0.2607(3) 0.0163(7) Uani 1 1 d . . .
H1A H -0.6071 -0.3672 -0.1850 0.020 Uiso 1 1 calc R . .
C34 C -0.7182(4) -0.3969(2) -0.3259(3) 0.0208(8) Uani 1 1 d . . .
H24 H -0.7831 -0.4295 -0.2946 0.025 Uiso 1 1 calc R . .
C35 C -0.7250(4) -0.3855(2) -0.4347(3) 0.0170(7) Uani 1 1 d . . .
H17 H -0.7965 -0.4099 -0.4786 0.020 Uiso 1 1 calc R . .
C36 C -0.6284(4) -0.3384(2) -0.4834(3) 0.0148(7) Uani 1 1 d . . .
C37 C -0.6388(4) -0.3325(2) -0.5988(3) 0.0157(7) Uani 1 1 d . . .
H7 H -0.7115 -0.3613 -0.6353 0.019 Uiso 1 1 calc R . .
C38 C -0.4154(4) -0.2742(3) -0.1329(3) 0.0250(9) Uani 1 1 d . . .
H25A H -0.3410 -0.2414 -0.1005 0.037 Uiso 1 1 calc R . .
H25B H -0.4004 -0.3286 -0.1098 0.037 Uiso 1 1 calc R . .
H25C H -0.5035 -0.2558 -0.1097 0.037 Uiso 1 1 calc R . .
N1 N 0.1635(3) -0.21095(18) -0.2505(2) 0.0154(6) Uani 1 1 d . . .
N2 N -0.0542(3) -0.30713(18) -0.3679(2) 0.0145(6) Uani 1 1 d . . .
N3 N -0.3552(3) -0.18652(19) -0.7485(2) 0.0166(6) Uani 1 1 d . . .
N4 N -0.5615(3) -0.29283(18) -0.6593(2) 0.0153(6) Uani 1 1 d . . .
O1 O 0.2359(2) -0.16822(15) -0.45517(18) 0.0158(5) Uani 1 1 d . . .
O2 O 0.3919(3) -0.08382(17) -0.5737(2) 0.0207(6) Uani 1 1 d . . .
O3 O 0.0604(2) -0.25264(14) -0.55397(18) 0.0152(5) Uani 1 1 d . . .
O4 O 0.0647(3) -0.25784(15) -0.76381(19) 0.0181(5) Uani 1 1 d . . .
O5 O -0.1264(3) -0.19960(15) -0.20750(19) 0.0177(5) Uani 1 1 d . . .
H1O H -0.1165 -0.1652 -0.1594 0.027 Uiso 1 1 calc R . .
O6 O -0.2756(2) -0.15487(15) -0.53165(19) 0.0162(5) Uani 1 1 d . . .
O7 O -0.1160(3) -0.07678(17) -0.3904(2) 0.0212(6) Uani 1 1 d . . .
O8 O -0.4322(2) -0.25335(15) -0.45851(18) 0.0159(5) Uani 1 1 d . . .
O9 O -0.4173(3) -0.26979(15) -0.24903(19) 0.0180(5) Uani 1 1 d . . .
O10 O -0.6536(3) -0.17051(16) -0.7927(2) 0.0184(5) Uani 1 1 d . . .
H2O H -0.6633 -0.1325 -0.8354 0.028 Uiso 1 1 calc R . .
O11 O -0.7028(6) 0.0598(2) -1.0078(4) 0.0682(13) Uani 1 1 d . . .
O12 O -0.6574(4) -0.0715(2) -0.9712(3) 0.0428(9) Uani 1 1 d . . .
O13 O -0.8057(4) -0.0041(3) -0.8679(3) 0.0633(13) Uani 1 1 d . . .
O14 O -0.8708(4) -0.0339(3) -1.0500(3) 0.0622(13) Uani 1 1 d . . .
O15 O -0.8456(4) -0.4370(2) -1.0751(3) 0.0532(11) Uani 1 1 d . . .
O16 O -0.7970(4) -0.4407(2) -0.8890(3) 0.0390(8) Uani 1 1 d . . .
O17 O -0.6677(4) -0.5154(3) -1.0009(3) 0.0550(11) Uani 1 1 d . . .
O18 O -0.6465(4) -0.3769(2) -0.9980(3) 0.0441(10) Uani 1 1 d . . .
O19 O -0.1146(4) -0.11721(18) -0.0258(3) 0.0350(7) Uani 1 1 d D . .
Cl1 Cl -0.76049(11) -0.01102(6) -0.97306(8) 0.0288(2) Uani 1 1 d . . .
Cl2 Cl -0.73911(11) -0.44200(6) -0.99109(8) 0.0258(2) Uani 1 1 d . . .
Cu1 Cu 0.10098(4) -0.23728(2) -0.40100(3) 0.01282(9) Uani 1 1 d . . .
Cu2 Cu -0.40831(4) -0.22341(2) -0.60551(3) 0.01402(10) Uani 1 1 d . . .
Na1 Na 0.20593(15) -0.17043(9) -0.64302(11) 0.0183(3) Uani 1 1 d . . .
Na2 Na -0.29059(15) -0.17280(9) -0.34824(11) 0.0184(3) Uani 1 1 d . . .
H3O H -0.046(3) -0.0829(18) -0.023(4) 0.028 Uiso 1 1 d D . .
H4O H -0.192(2) -0.092(2) -0.018(4) 0.028 Uiso 1 1 d 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 O1 1.309(4) . ?
C1 C6 1.411(5) . ?
C1 C2 1.431(5) . ?
C2 O2 1.372(4) . ?
C2 C3 1.383(5) . ?
C3 C4 1.415(5) . ?
C3 Na2 3.072(4) 1_655 ?
C3 H18 0.9500 . ?
C4 C5 1.364(5) . ?
C4 Na2 3.014(4) 1_655 ?
C4 H1F 0.9500 . ?
C5 C6 1.420(5) . ?
C5 H19 0.9500 . ?
C6 C7 1.432(5) . ?
C7 N1 1.296(5) . ?
C7 H11 0.9500 . ?
C8 O2 1.443(4) . ?
C8 H1CA 0.9800 . ?
C8 H1CB 0.9800 . ?
C8 H1CC 0.9800 . ?
C9 N1 1.483(4) . ?
C9 C10 1.521(5) . ?
C9 H10A 0.9900 . ?
C9 H10B 0.9900 . ?
C10 O5 1.419(4) . ?
C10 C11 1.509(5) . ?
C10 H16 1.0000 . ?
C11 N2 1.483(4) . ?
C11 H1DA 0.9900 . ?
C11 H1DB 0.9900 . ?
C12 O3 1.312(4) . ?
C12 C17 1.420(5) . ?
C12 C13 1.423(5) . ?
C13 O4 1.366(4) . ?
C13 C14 1.395(5) . ?
C14 C15 1.402(5) . ?
C14 H21 0.9500 . ?
C15 C16 1.370(5) . ?
C15 H1J 0.9500 . ?
C16 C17 1.409(5) . ?
C16 H22 0.9500 . ?
C17 C18 1.443(5) . ?
C18 N2 1.297(5) . ?
C18 H1I 0.9500 . ?
C19 O4 1.443(4) . ?
C19 H1HA 0.9800 . ?
C19 H1HB 0.9800 . ?
C19 H1HC 0.9800 . ?
C20 O6 1.306(4) . ?
C20 C25 1.408(5) . ?
C20 C21 1.436(5) . ?
C21 C22 1.372(5) . ?
C21 O7 1.375(4) . ?
C22 C23 1.417(5) . ?
C22 H1B 0.9500 . ?
C23 C24 1.365(5) . ?
C23 Na1 2.874(4) . ?
C23 H27 0.9500 . ?
C24 C25 1.422(5) . ?
C24 Na1 3.088(4) . ?
C24 H23A 0.9500 . ?
C25 C26 1.433(5) . ?
C26 N3 1.291(5) . ?
C26 H3 0.9500 . ?
C27 O7 1.441(4) . ?
C27 H26A 0.9800 . ?
C27 H26B 0.9800 . ?
C27 H26C 0.9800 . ?
C28 N3 1.483(4) . ?
C28 C29 1.511(5) . ?
C28 H1KA 0.9900 . ?
C28 H1KB 0.9900 . ?
C29 O10 1.432(4) . ?
C29 C30 1.515(5) . ?
C29 H14 1.0000 . ?
C30 N4 1.474(4) . ?
C30 H8A 0.9900 . ?
C30 H8B 0.9900 . ?
C31 O8 1.316(4) . ?
C31 C36 1.406(5) . ?
C31 C32 1.421(5) . ?
C32 O9 1.381(4) . ?
C32 C33 1.385(5) . ?
C33 C34 1.410(5) . ?
C33 H1A 0.9500 . ?
C34 C35 1.367(5) . ?
C34 H24 0.9500 . ?
C35 C36 1.412(5) . ?
C35 H17 0.9500 . ?
C36 C37 1.437(5) . ?
C37 N4 1.298(5) . ?
C37 H7 0.9500 . ?
C38 O9 1.449(4) . ?
C38 H25A 0.9800 . ?
C38 H25B 0.9800 . ?
C38 H25C 0.9800 . ?
N1 Cu1 1.980(3) . ?
N2 Cu1 1.995(3) . ?
N3 Cu2 1.995(3) . ?
N4 Cu2 1.984(3) . ?
O1 Cu1 1.928(2) . ?
O1 Na1 2.338(3) . ?
O2 Na1 2.448(3) . ?
O3 Cu1 1.936(2) . ?
O3 Na1 2.337(3) . ?
O4 Na1 2.465(3) . ?
O5 Na2 2.329(3) . ?
O5 H1O 0.8400 . ?
O6 Cu2 1.927(2) . ?
O6 Na2 2.322(3) . ?
O7 Na2 2.450(3) . ?
O8 Cu2 1.934(2) . ?
O8 Na2 2.324(3) . ?
O9 Na2 2.457(3) . ?
O10 Na1 2.398(3) 1_455 ?
O10 H2O 0.8400 . ?
O11 Cl1 1.416(4) . ?
O12 Cl1 1.441(3) . ?
O13 Cl1 1.420(4) . ?
O14 Cl1 1.440(4) . ?
O15 Cl2 1.421(4) . ?
O16 Cl2 1.431(3) . ?
O17 Cl2 1.444(4) . ?
O18 Cl2 1.439(3) . ?
O19 H3O 0.887(10) . ?
O19 H4O 0.883(10) . ?
Cu1 Na1 3.4536(14) . ?
Cu2 Na2 3.4336(14) . ?
Na1 O10 2.398(3) 1_655 ?
Na2 C4 3.014(4) 1_455 ?
Na2 C3 3.072(4) 1_455 ?

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 C6 123.8(3) . . ?
O1 C1 C2 118.8(3) . . ?
C6 C1 C2 117.4(3) . . ?
O2 C2 C3 124.4(3) . . ?
O2 C2 C1 114.4(3) . . ?
C3 C2 C1 121.1(3) . . ?
C2 C3 C4 120.3(3) . . ?
C2 C3 Na2 95.7(2) . 1_655 ?
C4 C3 Na2 74.3(2) . 1_655 ?
C2 C3 H18 119.8 . . ?
C4 C3 H18 119.8 . . ?
Na2 C3 H18 99.9 1_655 . ?
C5 C4 C3 119.7(3) . . ?
C5 C4 Na2 93.4(2) . 1_655 ?
C3 C4 Na2 78.8(2) . 1_655 ?
C5 C4 H1F 120.1 . . ?
C3 C4 H1F 120.1 . . ?
Na2 C4 H1F 97.7 1_655 . ?
C4 C5 C6 120.9(3) . . ?
C4 C5 H19 119.5 . . ?
C6 C5 H19 119.5 . . ?
C1 C6 C5 120.5(3) . . ?
C1 C6 C7 121.5(3) . . ?
C5 C6 C7 118.0(3) . . ?
N1 C7 C6 128.6(3) . . ?
N1 C7 H11 115.7 . . ?
C6 C7 H11 115.7 . . ?
O2 C8 H1CA 109.5 . . ?
O2 C8 H1CB 109.5 . . ?
H1CA C8 H1CB 109.5 . . ?
O2 C8 H1CC 109.5 . . ?
H1CA C8 H1CC 109.5 . . ?
H1CB C8 H1CC 109.5 . . ?
N1 C9 C10 113.9(3) . . ?
N1 C9 H10A 108.8 . . ?
C10 C9 H10A 108.8 . . ?
N1 C9 H10B 108.8 . . ?
C10 C9 H10B 108.8 . . ?
H10A C9 H10B 107.7 . . ?
O5 C10 C11 109.6(3) . . ?
O5 C10 C9 111.8(3) . . ?
C11 C10 C9 112.6(3) . . ?
O5 C10 H16 107.6 . . ?
C11 C10 H16 107.6 . . ?
C9 C10 H16 107.6 . . ?
N2 C11 C10 113.0(3) . . ?
N2 C11 H1DA 109.0 . . ?
C10 C11 H1DA 109.0 . . ?
N2 C11 H1DB 109.0 . . ?
C10 C11 H1DB 109.0 . . ?
H1DA C11 H1DB 107.8 . . ?
O3 C12 C17 123.5(3) . . ?
O3 C12 C13 119.0(3) . . ?
C17 C12 C13 117.5(3) . . ?
O4 C13 C14 124.8(3) . . ?
O4 C13 C12 114.2(3) . . ?
C14 C13 C12 120.9(3) . . ?
C13 C14 C15 120.3(3) . . ?
C13 C14 H21 119.8 . . ?
C15 C14 H21 119.8 . . ?
C16 C15 C14 119.7(3) . . ?
C16 C15 H1J 120.1 . . ?
C14 C15 H1J 120.1 . . ?
C15 C16 C17 121.3(4) . . ?
C15 C16 H22 119.4 . . ?
C17 C16 H22 119.4 . . ?
C16 C17 C12 120.1(3) . . ?
C16 C17 C18 118.3(3) . . ?
C12 C17 C18 121.4(3) . . ?
N2 C18 C17 128.7(3) . . ?
N2 C18 H1I 115.7 . . ?
C17 C18 H1I 115.7 . . ?
O4 C19 H1HA 109.5 . . ?
O4 C19 H1HB 109.5 . . ?
H1HA C19 H1HB 109.5 . . ?
O4 C19 H1HC 109.5 . . ?
H1HA C19 H1HC 109.5 . . ?
H1HB C19 H1HC 109.5 . . ?
O6 C20 C25 123.9(3) . . ?
O6 C20 C21 118.8(3) . . ?
C25 C20 C21 117.3(3) . . ?
C22 C21 O7 124.9(3) . . ?
C22 C21 C20 121.2(3) . . ?
O7 C21 C20 113.9(3) . . ?
C21 C22 C23 120.3(3) . . ?
C21 C22 H1B 119.9 . . ?
C23 C22 H1B 119.9 . . ?
C24 C23 C22 120.1(3) . . ?
C24 C23 Na1 85.7(2) . . ?
C22 C23 Na1 95.7(2) . . ?
C24 C23 H27 120.0 . . ?
C22 C23 H27 120.0 . . ?
Na1 C23 H27 88.6 . . ?
C23 C24 C25 120.4(3) . . ?
C23 C24 Na1 68.1(2) . . ?
C25 C24 Na1 103.4(2) . . ?
C23 C24 H23A 119.8 . . ?
C25 C24 H23A 119.8 . . ?
Na1 C24 H23A 98.1 . . ?
C20 C25 C24 120.6(3) . . ?
C20 C25 C26 121.6(3) . . ?
C24 C25 C26 117.8(3) . . ?
N3 C26 C25 128.8(3) . . ?
N3 C26 H3 115.6 . . ?
C25 C26 H3 115.6 . . ?
O7 C27 H26A 109.5 . . ?
O7 C27 H26B 109.5 . . ?
H26A C27 H26B 109.5 . . ?
O7 C27 H26C 109.5 . . ?
H26A C27 H26C 109.5 . . ?
H26B C27 H26C 109.5 . . ?
N3 C28 C29 113.8(3) . . ?
N3 C28 H1KA 108.8 . . ?
C29 C28 H1KA 108.8 . . ?
N3 C28 H1KB 108.8 . . ?
C29 C28 H1KB 108.8 . . ?
H1KA C28 H1KB 107.7 . . ?
O10 C29 C28 112.1(3) . . ?
O10 C29 C30 108.1(3) . . ?
C28 C29 C30 112.8(3) . . ?
O10 C29 H14 107.9 . . ?
C28 C29 H14 107.9 . . ?
C30 C29 H14 107.9 . . ?
N4 C30 C29 112.6(3) . . ?
N4 C30 H8A 109.1 . . ?
C29 C30 H8A 109.1 . . ?
N4 C30 H8B 109.1 . . ?
C29 C30 H8B 109.1 . . ?
H8A C30 H8B 107.8 . . ?
O8 C31 C36 124.0(3) . . ?
O8 C31 C32 118.6(3) . . ?
C36 C31 C32 117.4(3) . . ?
O9 C32 C33 124.3(3) . . ?
O9 C32 C31 114.2(3) . . ?
C33 C32 C31 121.4(3) . . ?
C32 C33 C34 120.2(4) . . ?
C32 C33 H1A 119.9 . . ?
C34 C33 H1A 119.9 . . ?
C35 C34 C33 119.1(4) . . ?
C35 C34 H24 120.5 . . ?
C33 C34 H24 120.5 . . ?
C34 C35 C36 121.6(4) . . ?
C34 C35 H17 119.2 . . ?
C36 C35 H17 119.2 . . ?
C31 C36 C35 120.2(3) . . ?
C31 C36 C37 121.7(3) . . ?
C35 C36 C37 118.1(3) . . ?
N4 C37 C36 128.2(3) . . ?
N4 C37 H7 115.9 . . ?
C36 C37 H7 115.9 . . ?
O9 C38 H25A 109.5 . . ?
O9 C38 H25B 109.5 . . ?
H25A C38 H25B 109.5 . . ?
O9 C38 H25C 109.5 . . ?
H25A C38 H25C 109.5 . . ?
H25B C38 H25C 109.5 . . ?
C7 N1 C9 112.8(3) . . ?
C7 N1 Cu1 124.5(2) . . ?
C9 N1 Cu1 122.7(2) . . ?
C18 N2 C11 113.7(3) . . ?
C18 N2 Cu1 124.3(3) . . ?
C11 N2 Cu1 121.9(2) . . ?
C26 N3 C28 113.4(3) . . ?
C26 N3 Cu2 123.5(2) . . ?
C28 N3 Cu2 123.1(2) . . ?
C37 N4 C30 114.0(3) . . ?
C37 N4 Cu2 124.9(2) . . ?
C30 N4 Cu2 121.0(2) . . ?
C1 O1 Cu1 130.2(2) . . ?
C1 O1 Na1 122.1(2) . . ?
Cu1 O1 Na1 107.72(11) . . ?
C2 O2 C8 116.3(3) . . ?
C2 O2 Na1 118.0(2) . . ?
C8 O2 Na1 124.5(2) . . ?
C12 O3 Cu1 130.5(2) . . ?
C12 O3 Na1 121.9(2) . . ?
Cu1 O3 Na1 107.49(11) . . ?
C13 O4 C19 116.2(3) . . ?
C13 O4 Na1 117.7(2) . . ?
C19 O4 Na1 124.1(2) . . ?
C10 O5 Na2 134.2(2) . . ?
C10 O5 H1O 109.5 . . ?
Na2 O5 H1O 115.8 . . ?
C20 O6 Cu2 129.6(2) . . ?
C20 O6 Na2 122.1(2) . . ?
Cu2 O6 Na2 107.44(11) . . ?
C21 O7 C27 116.7(3) . . ?
C21 O7 Na2 117.2(2) . . ?
C27 O7 Na2 126.0(2) . . ?
C31 O8 Cu2 129.9(2) . . ?
C31 O8 Na2 122.0(2) . . ?
Cu2 O8 Na2 107.13(11) . . ?
C32 O9 C38 116.5(3) . . ?
C32 O9 Na2 117.2(2) . . ?
C38 O9 Na2 124.8(2) . . ?
C29 O10 Na1 131.8(2) . 1_455 ?
C29 O10 H2O 109.5 . . ?
Na1 O10 H2O 116.7 1_455 . ?
H3O O19 H4O 109.2(16) . . ?
O11 Cl1 O13 111.7(3) . . ?
O11 Cl1 O14 108.9(3) . . ?
O13 Cl1 O14 111.6(3) . . ?
O11 Cl1 O12 108.9(3) . . ?
O13 Cl1 O12 108.1(2) . . ?
O14 Cl1 O12 107.5(3) . . ?
O15 Cl2 O16 109.8(2) . . ?
O15 Cl2 O18 109.7(2) . . ?
O16 Cl2 O18 109.5(2) . . ?
O15 Cl2 O17 108.6(3) . . ?
O16 Cl2 O17 108.3(2) . . ?
O18 Cl2 O17 110.9(2) . . ?
O1 Cu1 O3 80.31(10) . . ?
O1 Cu1 N1 91.37(11) . . ?
O3 Cu1 N1 171.67(11) . . ?
O1 Cu1 N2 170.95(11) . . ?
O3 Cu1 N2 91.21(11) . . ?
N1 Cu1 N2 97.10(12) . . ?
O1 Cu1 Na1 40.15(7) . . ?
O3 Cu1 Na1 40.20(7) . . ?
N1 Cu1 Na1 131.48(9) . . ?
N2 Cu1 Na1 131.19(9) . . ?
O6 Cu2 O8 80.40(10) . . ?
O6 Cu2 N4 170.40(11) . . ?
O8 Cu2 N4 91.13(11) . . ?
O6 Cu2 N3 91.37(11) . . ?
O8 Cu2 N3 171.16(11) . . ?
N4 Cu2 N3 97.32(12) . . ?
O6 Cu2 Na2 40.19(7) . . ?
O8 Cu2 Na2 40.31(8) . . ?
N4 Cu2 Na2 130.97(9) . . ?
N3 Cu2 Na2 131.56(9) . . ?
O3 Na1 O1 64.41(9) . . ?
O3 Na1 O10 140.67(11) . 1_655 ?
O1 Na1 O10 138.07(11) . 1_655 ?
O3 Na1 O2 131.04(10) . . ?
O1 Na1 O2 66.66(9) . . ?
O10 Na1 O2 79.78(10) 1_655 . ?
O3 Na1 O4 66.09(9) . . ?
O1 Na1 O4 130.01(10) . . ?
O10 Na1 O4 81.41(10) 1_655 . ?
O2 Na1 O4 161.18(10) . . ?
O3 Na1 C23 98.92(10) . . ?
O1 Na1 C23 90.41(11) . . ?
O10 Na1 C23 110.23(11) 1_655 . ?
O2 Na1 C23 82.85(11) . . ?
O4 Na1 C23 103.66(11) . . ?
O3 Na1 C24 89.62(10) . . ?
O1 Na1 C24 108.42(10) . . ?
O10 Na1 C24 104.93(10) 1_655 . ?
O2 Na1 C24 107.26(11) . . ?
O4 Na1 C24 77.53(10) . . ?
C23 Na1 C24 26.17(10) . . ?
O3 Na1 Cu1 32.31(6) . . ?
O1 Na1 Cu1 32.13(6) . . ?
O10 Na1 Cu1 154.79(9) 1_655 . ?
O2 Na1 Cu1 98.79(7) . . ?
O4 Na1 Cu1 98.28(7) . . ?
C23 Na1 Cu1 94.42(8) . . ?
C24 Na1 Cu1 99.54(8) . . ?
O6 Na2 O8 64.86(9) . . ?
O6 Na2 O5 132.53(11) . . ?
O8 Na2 O5 132.31(11) . . ?
O6 Na2 O7 66.65(9) . . ?
O8 Na2 O7 131.39(10) . . ?
O5 Na2 O7 80.99(10) . . ?
O6 Na2 O9 131.03(11) . . ?
O8 Na2 O9 66.37(9) . . ?
O5 Na2 O9 80.34(10) . . ?
O7 Na2 O9 160.74(11) . . ?
O6 Na2 C4 99.65(11) . 1_455 ?
O8 Na2 C4 106.44(11) . 1_455 ?
O5 Na2 C4 111.27(11) . 1_455 ?
O7 Na2 C4 84.62(11) . 1_455 ?
O9 Na2 C4 97.81(11) . 1_455 ?
O6 Na2 C3 73.62(10) . 1_455 ?
O8 Na2 C3 89.20(10) . 1_455 ?
O5 Na2 C3 135.50(11) . 1_455 ?
O7 Na2 C3 80.50(11) . 1_455 ?
O9 Na2 C3 110.05(10) . 1_455 ?
C4 Na2 C3 26.87(10) 1_455 1_455 ?
O6 Na2 Cu2 32.37(6) . . ?
O8 Na2 Cu2 32.56(6) . . ?
O5 Na2 Cu2 144.68(8) . . ?
O7 Na2 Cu2 99.02(7) . . ?
O9 Na2 Cu2 98.92(7) . . ?
C4 Na2 Cu2 103.85(8) 1_455 . ?
C3 Na2 Cu2 78.29(8) 1_455 . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O1 C1 C2 O2 2.2(5) . . . . ?
C6 C1 C2 O2 -179.2(3) . . . . ?
O1 C1 C2 C3 -176.4(3) . . . . ?
C6 C1 C2 C3 2.2(5) . . . . ?
O2 C2 C3 C4 180.0(3) . . . . ?
C1 C2 C3 C4 -1.6(6) . . . . ?
O2 C2 C3 Na2 -104.9(4) . . . 1_655 ?
C1 C2 C3 Na2 73.5(4) . . . 1_655 ?
C2 C3 C4 C5 -0.1(6) . . . . ?
Na2 C3 C4 C5 -87.5(3) 1_655 . . . ?
C2 C3 C4 Na2 87.4(3) . . . 1_655 ?
C3 C4 C5 C6 1.1(6) . . . . ?
Na2 C4 C5 C6 -78.0(4) 1_655 . . . ?
O1 C1 C6 C5 177.3(3) . . . . ?
C2 C1 C6 C5 -1.2(5) . . . . ?
O1 C1 C6 C7 -2.6(6) . . . . ?
C2 C1 C6 C7 178.9(3) . . . . ?
C4 C5 C6 C1 -0.4(6) . . . . ?
C4 C5 C6 C7 179.5(4) . . . . ?
C1 C6 C7 N1 2.6(6) . . . . ?
C5 C6 C7 N1 -177.3(4) . . . . ?
N1 C9 C10 O5 -55.4(4) . . . . ?
N1 C9 C10 C11 68.4(4) . . . . ?
O5 C10 C11 N2 54.2(4) . . . . ?
C9 C10 C11 N2 -70.9(4) . . . . ?
O3 C12 C13 O4 -0.6(5) . . . . ?
C17 C12 C13 O4 178.0(3) . . . . ?
O3 C12 C13 C14 178.4(3) . . . . ?
C17 C12 C13 C14 -2.9(5) . . . . ?
O4 C13 C14 C15 -179.1(3) . . . . ?
C12 C13 C14 C15 1.9(6) . . . . ?
C13 C14 C15 C16 0.9(6) . . . . ?
C14 C15 C16 C17 -2.6(6) . . . . ?
C15 C16 C17 C12 1.6(6) . . . . ?
C15 C16 C17 C18 -173.3(3) . . . . ?
O3 C12 C17 C16 179.8(3) . . . . ?
C13 C12 C17 C16 1.2(5) . . . . ?
O3 C12 C17 C18 -5.5(5) . . . . ?
C13 C12 C17 C18 175.9(3) . . . . ?
C16 C17 C18 N2 174.5(4) . . . . ?
C12 C17 C18 N2 -0.4(6) . . . . ?
O6 C20 C21 C22 176.1(3) . . . . ?
C25 C20 C21 C22 -3.8(5) . . . . ?
O6 C20 C21 O7 -3.4(5) . . . . ?
C25 C20 C21 O7 176.6(3) . . . . ?
O7 C21 C22 C23 -178.7(3) . . . . ?
C20 C21 C22 C23 1.8(5) . . . . ?
C21 C22 C23 C24 0.6(6) . . . . ?
C21 C22 C23 Na1 -87.7(3) . . . . ?
C22 C23 C24 C25 -0.9(5) . . . . ?
Na1 C23 C24 C25 93.1(3) . . . . ?
C22 C23 C24 Na1 -94.1(3) . . . . ?
O6 C20 C25 C24 -176.5(3) . . . . ?
C21 C20 C25 C24 3.4(5) . . . . ?
O6 C20 C25 C26 5.0(6) . . . . ?
C21 C20 C25 C26 -175.1(3) . . . . ?
C23 C24 C25 C20 -1.2(5) . . . . ?
Na1 C24 C25 C20 71.1(4) . . . . ?
C23 C24 C25 C26 177.4(3) . . . . ?
Na1 C24 C25 C26 -110.3(3) . . . . ?
C20 C25 C26 N3 -5.1(6) . . . . ?
C24 C25 C26 N3 176.4(4) . . . . ?
N3 C28 C29 O10 56.4(4) . . . . ?
N3 C28 C29 C30 -66.0(4) . . . . ?
O10 C29 C30 N4 -50.1(4) . . . . ?
C28 C29 C30 N4 74.5(4) . . . . ?
O8 C31 C32 O9 1.3(5) . . . . ?
C36 C31 C32 O9 -178.5(3) . . . . ?
O8 C31 C32 C33 -179.7(3) . . . . ?
C36 C31 C32 C33 0.5(5) . . . . ?
O9 C32 C33 C34 177.4(3) . . . . ?
C31 C32 C33 C34 -1.4(5) . . . . ?
C32 C33 C34 C35 0.6(6) . . . . ?
C33 C34 C35 C36 1.2(6) . . . . ?
O8 C31 C36 C35 -178.6(3) . . . . ?
C32 C31 C36 C35 1.3(5) . . . . ?
O8 C31 C36 C37 2.3(6) . . . . ?
C32 C31 C36 C37 -177.9(3) . . . . ?
C34 C35 C36 C31 -2.1(6) . . . . ?
C34 C35 C36 C37 177.0(3) . . . . ?
C31 C36 C37 N4 -0.8(6) . . . . ?
C35 C36 C37 N4 180.0(4) . . . . ?
C6 C7 N1 C9 176.4(4) . . . . ?
C6 C7 N1 Cu1 -1.1(6) . . . . ?
C10 C9 N1 C7 148.4(3) . . . . ?
C10 C9 N1 Cu1 -34.0(4) . . . . ?
C17 C18 N2 C11 -171.5(4) . . . . ?
C17 C18 N2 Cu1 5.5(5) . . . . ?
C10 C11 N2 C18 -144.2(3) . . . . ?
C10 C11 N2 Cu1 38.7(4) . . . . ?
C25 C26 N3 C28 177.9(4) . . . . ?
C25 C26 N3 Cu2 -4.3(5) . . . . ?
C29 C28 N3 C26 -157.2(3) . . . . ?
C29 C28 N3 Cu2 25.0(4) . . . . ?
C36 C37 N4 C30 174.6(3) . . . . ?
C36 C37 N4 Cu2 -3.2(6) . . . . ?
C29 C30 N4 C37 143.0(3) . . . . ?
C29 C30 N4 Cu2 -39.2(4) . . . . ?
C6 C1 O1 Cu1 1.2(5) . . . . ?
C2 C1 O1 Cu1 179.7(2) . . . . ?
C6 C1 O1 Na1 178.8(3) . . . . ?
C2 C1 O1 Na1 -2.7(4) . . . . ?
C3 C2 O2 C8 -14.4(5) . . . . ?
C1 C2 O2 C8 167.0(3) . . . . ?
C3 C2 O2 Na1 177.7(3) . . . . ?
C1 C2 O2 Na1 -0.8(4) . . . . ?
C17 C12 O3 Cu1 5.6(5) . . . . ?
C13 C12 O3 Cu1 -175.8(2) . . . . ?
C17 C12 O3 Na1 -169.4(3) . . . . ?
C13 C12 O3 Na1 9.2(4) . . . . ?
C14 C13 O4 C19 8.8(5) . . . . ?
C12 C13 O4 C19 -172.2(3) . . . . ?
C14 C13 O4 Na1 173.5(3) . . . . ?
C12 C13 O4 Na1 -7.4(4) . . . . ?
C11 C10 O5 Na2 3.8(4) . . . . ?
C9 C10 O5 Na2 129.4(3) . . . . ?
C25 C20 O6 Cu2 4.9(5) . . . . ?
C21 C20 O6 Cu2 -175.0(2) . . . . ?
C25 C20 O6 Na2 173.2(3) . . . . ?
C21 C20 O6 Na2 -6.7(4) . . . . ?
C22 C21 O7 C27 7.5(5) . . . . ?
C20 C21 O7 C27 -173.0(3) . . . . ?
C22 C21 O7 Na2 -168.5(3) . . . . ?
C20 C21 O7 Na2 11.1(4) . . . . ?
C36 C31 O8 Cu2 0.6(5) . . . . ?
C32 C31 O8 Cu2 -179.3(2) . . . . ?
C36 C31 O8 Na2 168.1(3) . . . . ?
C32 C31 O8 Na2 -11.8(4) . . . . ?
C33 C32 O9 C38 -4.1(5) . . . . ?
C31 C32 O9 C38 174.9(3) . . . . ?
C33 C32 O9 Na2 -170.3(3) . . . . ?
C31 C32 O9 Na2 8.7(4) . . . . ?
C28 C29 O10 Na1 -128.1(3) . . . 1_455 ?
C30 C29 O10 Na1 -3.1(4) . . . 1_455 ?
C1 O1 Cu1 O3 -179.9(3) . . . . ?
Na1 O1 Cu1 O3 2.24(11) . . . . ?
C1 O1 Cu1 N1 0.1(3) . . . . ?
Na1 O1 Cu1 N1 -177.77(13) . . . . ?
C1 O1 Cu1 N2 159.5(7) . . . . ?
Na1 O1 Cu1 N2 -18.4(8) . . . . ?
C1 O1 Cu1 Na1 177.9(4) . . . . ?
C12 O3 Cu1 O1 -177.8(3) . . . . ?
Na1 O3 Cu1 O1 -2.24(11) . . . . ?
C12 O3 Cu1 N1 -177.8(7) . . . . ?
Na1 O3 Cu1 N1 -2.3(9) . . . . ?
C12 O3 Cu1 N2 -0.9(3) . . . . ?
Na1 O3 Cu1 N2 174.58(13) . . . . ?
C12 O3 Cu1 Na1 -175.5(4) . . . . ?
C7 N1 Cu1 O1 -0.2(3) . . . . ?
C9 N1 Cu1 O1 -177.5(3) . . . . ?
C7 N1 Cu1 O3 -0.1(10) . . . . ?
C9 N1 Cu1 O3 -177.4(7) . . . . ?
C7 N1 Cu1 N2 -177.0(3) . . . . ?
C9 N1 Cu1 N2 5.7(3) . . . . ?
C7 N1 Cu1 Na1 -2.1(3) . . . . ?
C9 N1 Cu1 Na1 -179.4(2) . . . . ?
C18 N2 Cu1 O1 16.0(10) . . . . ?
C11 N2 Cu1 O1 -167.2(7) . . . . ?
C18 N2 Cu1 O3 -4.3(3) . . . . ?
C11 N2 Cu1 O3 172.4(3) . . . . ?
C18 N2 Cu1 N1 175.2(3) . . . . ?
C11 N2 Cu1 N1 -8.0(3) . . . . ?
C18 N2 Cu1 Na1 0.3(4) . . . . ?
C11 N2 Cu1 Na1 177.1(2) . . . . ?
C20 O6 Cu2 O8 166.3(3) . . . . ?
Na2 O6 Cu2 O8 -3.37(12) . . . . ?
C20 O6 Cu2 N4 -165.3(6) . . . . ?
Na2 O6 Cu2 N4 25.0(8) . . . . ?
C20 O6 Cu2 N3 -10.5(3) . . . . ?
Na2 O6 Cu2 N3 179.89(13) . . . . ?
C20 O6 Cu2 Na2 169.7(4) . . . . ?
C31 O8 Cu2 O6 172.3(3) . . . . ?
Na2 O8 Cu2 O6 3.36(12) . . . . ?
C31 O8 Cu2 N4 -3.2(3) . . . . ?
Na2 O8 Cu2 N4 -172.09(13) . . . . ?
C31 O8 Cu2 N3 -166.0(7) . . . . ?
Na2 O8 Cu2 N3 25.0(8) . . . . ?
C31 O8 Cu2 Na2 168.9(4) . . . . ?
C37 N4 Cu2 O6 -23.7(9) . . . . ?
C30 N4 Cu2 O6 158.6(6) . . . . ?
C37 N4 Cu2 O8 4.3(3) . . . . ?
C30 N4 Cu2 O8 -173.4(3) . . . . ?
C37 N4 Cu2 N3 -178.4(3) . . . . ?
C30 N4 Cu2 N3 4.0(3) . . . . ?
C37 N4 Cu2 Na2 -2.5(4) . . . . ?
C30 N4 Cu2 Na2 179.8(2) . . . . ?
C26 N3 Cu2 O6 9.7(3) . . . . ?
C28 N3 Cu2 O6 -172.7(3) . . . . ?
C26 N3 Cu2 O8 -11.7(10) . . . . ?
C28 N3 Cu2 O8 165.9(7) . . . . ?
C26 N3 Cu2 N4 -174.4(3) . . . . ?
C28 N3 Cu2 N4 3.2(3) . . . . ?
C26 N3 Cu2 Na2 9.8(4) . . . . ?
C28 N3 Cu2 Na2 -172.6(2) . . . . ?
C12 O3 Na1 O1 178.0(3) . . . . ?
Cu1 O3 Na1 O1 2.02(10) . . . . ?
C12 O3 Na1 O10 -46.2(3) . . . 1_655 ?
Cu1 O3 Na1 O10 137.83(15) . . . 1_655 ?
C12 O3 Na1 O2 -179.9(2) . . . . ?
Cu1 O3 Na1 O2 4.12(19) . . . . ?
C12 O3 Na1 O4 -9.2(2) . . . . ?
Cu1 O3 Na1 O4 174.80(14) . . . . ?
C12 O3 Na1 C23 91.9(3) . . . . ?
Cu1 O3 Na1 C23 -84.13(13) . . . . ?
C12 O3 Na1 C24 67.3(3) . . . . ?
Cu1 O3 Na1 C24 -108.69(12) . . . . ?
C12 O3 Na1 Cu1 176.0(3) . . . . ?
C1 O1 Na1 O3 179.9(3) . . . . ?
Cu1 O1 Na1 O3 -2.03(10) . . . . ?
C1 O1 Na1 O10 41.3(3) . . . 1_655 ?
Cu1 O1 Na1 O10 -140.63(15) . . . 1_655 ?
C1 O1 Na1 O2 1.6(3) . . . . ?
Cu1 O1 Na1 O2 179.70(15) . . . . ?
C1 O1 Na1 O4 171.2(2) . . . . ?
Cu1 O1 Na1 O4 -10.65(19) . . . . ?
C1 O1 Na1 C23 -80.4(3) . . . . ?
Cu1 O1 Na1 C23 97.67(13) . . . . ?
C1 O1 Na1 C24 -99.8(3) . . . . ?
Cu1 O1 Na1 C24 78.34(14) . . . . ?
C1 O1 Na1 Cu1 -178.1(3) . . . . ?
C2 O2 Na1 O3 -2.4(3) . . . . ?
C8 O2 Na1 O3 -169.1(3) . . . . ?
C2 O2 Na1 O1 -0.3(2) . . . . ?
C8 O2 Na1 O1 -167.0(3) . . . . ?
C2 O2 Na1 O10 -154.6(3) . . . 1_655 ?
C8 O2 Na1 O10 38.6(3) . . . 1_655 ?
C2 O2 Na1 O4 -155.1(3) . . . . ?
C8 O2 Na1 O4 38.2(5) . . . . ?
C2 O2 Na1 C23 93.2(3) . . . . ?
C8 O2 Na1 C23 -73.5(3) . . . . ?
C2 O2 Na1 C24 102.8(3) . . . . ?
C8 O2 Na1 C24 -64.0(3) . . . . ?
C2 O2 Na1 Cu1 -0.1(3) . . . . ?
C8 O2 Na1 Cu1 -166.9(3) . . . . ?
C13 O4 Na1 O3 8.5(2) . . . . ?
C19 O4 Na1 O3 172.0(3) . . . . ?
C13 O4 Na1 O1 17.0(3) . . . . ?
C19 O4 Na1 O1 -179.5(2) . . . . ?
C13 O4 Na1 O10 165.8(2) . . . 1_655 ?
C19 O4 Na1 O10 -30.7(3) . . . 1_655 ?
C13 O4 Na1 O2 166.3(3) . . . . ?
C19 O4 Na1 O2 -30.3(5) . . . . ?
C13 O4 Na1 C23 -85.3(2) . . . . ?
C19 O4 Na1 C23 78.1(3) . . . . ?
C13 O4 Na1 C24 -86.7(2) . . . . ?
C19 O4 Na1 C24 76.8(3) . . . . ?
C13 O4 Na1 Cu1 11.3(2) . . . . ?
C19 O4 Na1 Cu1 174.8(3) . . . . ?
C24 C23 Na1 O3 -70.5(2) . . . . ?
C22 C23 Na1 O3 49.4(2) . . . . ?
C24 C23 Na1 O1 -134.6(2) . . . . ?
C22 C23 Na1 O1 -14.7(2) . . . . ?
C24 C23 Na1 O10 82.7(2) . . . 1_655 ?
C22 C23 Na1 O10 -157.4(2) . . . 1_655 ?
C24 C23 Na1 O2 159.0(2) . . . . ?
C22 C23 Na1 O2 -81.1(2) . . . . ?
C24 C23 Na1 O4 -3.0(2) . . . . ?
C22 C23 Na1 O4 116.8(2) . . . . ?
C22 C23 Na1 C24 119.9(3) . . . . ?
C24 C23 Na1 Cu1 -102.7(2) . . . . ?
C22 C23 Na1 Cu1 17.2(2) . . . . ?
C23 C24 Na1 O3 111.4(2) . . . . ?
C25 C24 Na1 O3 -6.3(2) . . . . ?
C23 C24 Na1 O1 48.6(2) . . . . ?
C25 C24 Na1 O1 -69.1(2) . . . . ?
C23 C24 Na1 O10 -105.6(2) . . . 1_655 ?
C25 C24 Na1 O10 136.7(2) . . . 1_655 ?
C23 C24 Na1 O2 -21.9(2) . . . . ?
C25 C24 Na1 O2 -139.6(2) . . . . ?
C23 C24 Na1 O4 177.0(2) . . . . ?
C25 C24 Na1 O4 59.3(2) . . . . ?
C25 C24 Na1 C23 -117.7(3) . . . . ?
C23 C24 Na1 Cu1 80.5(2) . . . . ?
C25 C24 Na1 Cu1 -37.2(2) . . . . ?
O1 Cu1 Na1 O3 176.58(17) . . . . ?
N1 Cu1 Na1 O3 179.55(16) . . . . ?
N2 Cu1 Na1 O3 -7.21(17) . . . . ?
O3 Cu1 Na1 O1 -176.58(17) . . . . ?
N1 Cu1 Na1 O1 2.97(17) . . . . ?
N2 Cu1 Na1 O1 176.21(17) . . . . ?
O1 Cu1 Na1 O10 84.4(2) . . . 1_655 ?
O3 Cu1 Na1 O10 -92.2(2) . . . 1_655 ?
N1 Cu1 Na1 O10 87.3(2) . . . 1_655 ?
N2 Cu1 Na1 O10 -99.4(2) . . . 1_655 ?
O1 Cu1 Na1 O2 -0.28(14) . . . . ?
O3 Cu1 Na1 O2 -176.86(15) . . . . ?
N1 Cu1 Na1 O2 2.69(15) . . . . ?
N2 Cu1 Na1 O2 175.93(14) . . . . ?
O1 Cu1 Na1 O4 171.78(15) . . . . ?
O3 Cu1 Na1 O4 -4.80(13) . . . . ?
N1 Cu1 Na1 O4 174.75(13) . . . . ?
N2 Cu1 Na1 O4 -12.02(14) . . . . ?
O1 Cu1 Na1 C23 -83.71(15) . . . . ?
O3 Cu1 Na1 C23 99.71(14) . . . . ?
N1 Cu1 Na1 C23 -80.74(14) . . . . ?
N2 Cu1 Na1 C23 92.50(15) . . . . ?
O1 Cu1 Na1 C24 -109.57(15) . . . . ?
O3 Cu1 Na1 C24 73.85(14) . . . . ?
N1 Cu1 Na1 C24 -106.60(14) . . . . ?
N2 Cu1 Na1 C24 66.63(14) . . . . ?
C20 O6 Na2 O8 -167.6(3) . . . . ?
Cu2 O6 Na2 O8 3.05(11) . . . . ?
C20 O6 Na2 O5 -42.2(3) . . . . ?
Cu2 O6 Na2 O5 128.39(14) . . . . ?
C20 O6 Na2 O7 8.9(3) . . . . ?
Cu2 O6 Na2 O7 179.53(15) . . . . ?
C20 O6 Na2 O9 -162.0(2) . . . . ?
Cu2 O6 Na2 O9 8.6(2) . . . . ?
C20 O6 Na2 C4 88.7(3) . . . 1_455 ?
Cu2 O6 Na2 C4 -100.67(13) . . . 1_455 ?
C20 O6 Na2 C3 95.4(3) . . . 1_455 ?
Cu2 O6 Na2 C3 -93.94(12) . . . 1_455 ?
C20 O6 Na2 Cu2 -170.6(3) . . . . ?
C31 O8 Na2 O6 -173.0(3) . . . . ?
Cu2 O8 Na2 O6 -3.04(10) . . . . ?
C31 O8 Na2 O5 61.3(3) . . . . ?
Cu2 O8 Na2 O5 -128.67(13) . . . . ?
C31 O8 Na2 O7 -177.4(2) . . . . ?
Cu2 O8 Na2 O7 -7.4(2) . . . . ?
C31 O8 Na2 O9 11.6(2) . . . . ?
Cu2 O8 Na2 O9 -178.44(14) . . . . ?
C31 O8 Na2 C4 -79.9(3) . . . 1_455 ?
Cu2 O8 Na2 C4 90.09(13) . . . 1_455 ?
C31 O8 Na2 C3 -100.8(3) . . . 1_455 ?
Cu2 O8 Na2 C3 69.21(12) . . . 1_455 ?
C31 O8 Na2 Cu2 -170.0(3) . . . . ?
C10 O5 Na2 O6 -72.5(3) . . . . ?
C10 O5 Na2 O8 20.7(3) . . . . ?
C10 O5 Na2 O7 -118.8(3) . . . . ?
C10 O5 Na2 O9 65.9(3) . . . . ?
C10 O5 Na2 C4 160.6(3) . . . 1_455 ?
C10 O5 Na2 C3 174.7(3) . . . 1_455 ?
C10 O5 Na2 Cu2 -25.9(4) . . . . ?
C21 O7 Na2 O6 -10.4(2) . . . . ?
C27 O7 Na2 O6 174.1(3) . . . . ?
C21 O7 Na2 O8 -6.1(3) . . . . ?
C27 O7 Na2 O8 178.4(3) . . . . ?
C21 O7 Na2 O5 134.1(3) . . . . ?
C27 O7 Na2 O5 -41.4(3) . . . . ?
C21 O7 Na2 O9 148.4(3) . . . . ?
C27 O7 Na2 O9 -27.1(5) . . . . ?
C21 O7 Na2 C4 -113.3(3) . . . 1_455 ?
C27 O7 Na2 C4 71.2(3) . . . 1_455 ?
C21 O7 Na2 C3 -86.5(3) . . . 1_455 ?
C27 O7 Na2 C3 97.9(3) . . . 1_455 ?
C21 O7 Na2 Cu2 -10.1(3) . . . . ?
C27 O7 Na2 Cu2 174.4(3) . . . . ?
C32 O9 Na2 O6 -15.8(3) . . . . ?
C38 O9 Na2 O6 179.2(3) . . . . ?
C32 O9 Na2 O8 -10.3(2) . . . . ?
C38 O9 Na2 O8 -175.2(3) . . . . ?
C32 O9 Na2 O5 -155.3(2) . . . . ?
C38 O9 Na2 O5 39.7(3) . . . . ?
C32 O9 Na2 O7 -169.6(3) . . . . ?
C38 O9 Na2 O7 25.4(5) . . . . ?
C32 O9 Na2 C4 94.3(2) . . . 1_455 ?
C38 O9 Na2 C4 -70.7(3) . . . 1_455 ?
C32 O9 Na2 C3 69.6(2) . . . 1_455 ?
C38 O9 Na2 C3 -95.4(3) . . . 1_455 ?
C32 O9 Na2 Cu2 -11.1(2) . . . . ?
C38 O9 Na2 Cu2 -176.1(3) . . . . ?
O8 Cu2 Na2 O6 174.86(18) . . . . ?
N4 Cu2 Na2 O6 -174.64(17) . . . . ?
N3 Cu2 Na2 O6 -0.15(17) . . . . ?
O6 Cu2 Na2 O8 -174.86(18) . . . . ?
N4 Cu2 Na2 O8 10.50(17) . . . . ?
N3 Cu2 Na2 O8 -175.01(17) . . . . ?
O6 Cu2 Na2 O5 -87.56(18) . . . . ?
O8 Cu2 Na2 O5 87.30(19) . . . . ?
N4 Cu2 Na2 O5 97.81(18) . . . . ?
N3 Cu2 Na2 O5 -87.71(19) . . . . ?
O6 Cu2 Na2 O7 -0.44(14) . . . . ?
O8 Cu2 Na2 O7 174.42(15) . . . . ?
N4 Cu2 Na2 O7 -175.08(14) . . . . ?
N3 Cu2 Na2 O7 -0.59(15) . . . . ?
O6 Cu2 Na2 O9 -173.41(15) . . . . ?
O8 Cu2 Na2 O9 1.45(13) . . . . ?
N4 Cu2 Na2 O9 11.95(15) . . . . ?
N3 Cu2 Na2 O9 -173.57(13) . . . . ?
O6 Cu2 Na2 C4 86.19(15) . . . 1_455 ?
O8 Cu2 Na2 C4 -98.95(14) . . . 1_455 ?
N4 Cu2 Na2 C4 -88.44(15) . . . 1_455 ?
N3 Cu2 Na2 C4 86.04(15) . . . 1_455 ?
O6 Cu2 Na2 C3 77.81(14) . . . 1_455 ?
O8 Cu2 Na2 C3 -107.33(14) . . . 1_455 ?
N4 Cu2 Na2 C3 -96.82(14) . . . 1_455 ?
N3 Cu2 Na2 C3 77.66(14) . . . 1_455 ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O5 H1O O19 0.84 1.86 2.662(4) 160.5 .
O10 H2O O12 0.84 1.99 2.793(4) 159.0 .
O10 H2O O13 0.84 2.61 3.309(5) 141.2 .
O10 H2O Cl1 0.84 2.81 3.634(3) 166.8 .
O19 H3O O14 0.887(10) 1.958(16) 2.807(6) 160(4) 1_656
O19 H4O O17 0.883(10) 1.922(16) 2.785(5) 166(3) 2_454
O19 H4O Cl2 0.883(10) 2.66(3) 3.329(3) 134(3) 2_454

_diffrn_measured_fraction_theta_max 0.891
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         0.498
_refine_diff_density_min         -0.534
_refine_diff_density_rms         0.084
_database_code_depnum_ccdc_archive 'CCDC 865240'
