#------------------------------------------------------------------------------
#$Date: 2016-06-20 12:08:03 +0300 (Mon, 20 Jun 2016) $
#$Revision: 183806 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/33/46/4334608.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4334608
loop_
_publ_author_name
'V. Georgantas'
'M. Menelaou'
'V. Psycharis'
'C. P. Raptopoulou'
'A. Terzis'
'V. Tangoulis'
'C. Mateescu'
'A. Salifoglou'
_publ_section_title
;
 Aromatic Chelator-Specific Lattice Architecture and Dimensionality in
 Binary and Ternary Cu(II)-Organophosphonate Materials
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4963
_journal_page_last               4976
_journal_paper_doi               10.1021/ic302598d
_journal_volume                  52
_journal_year                    2013
_chemical_formula_sum            'C8 H59.6667 Cu2 N2 Na4 O33.3333 P4'
_chemical_formula_weight         1059.48 
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                109.361(1)
_cell_angle_beta                 105.744(1)
_cell_angle_gamma                104.417(1)
_cell_formula_units_Z            3
_cell_length_a                   13.7141(3)
_cell_length_b                   15.2643(3)
_cell_length_c                   16.9430(4)
_cell_measurement_reflns_used    80638
_cell_measurement_temperature    180(2)
_cell_measurement_theta_max      27.45
_cell_measurement_theta_min      3.05
_cell_volume                     2987.91(12)
_computing_cell_refinement       'CrystalClear, Rigaku MSC, 2005'
_computing_data_collection       'CrystalClear, Rigaku MSC, 2005'
_computing_data_reduction        'CrystalClear, Rigaku MSC, 2005'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      180(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Rigaku R-AXIS SPIDER IPDS'
_diffrn_measurement_method       'θ scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0228
_diffrn_reflns_av_sigmaI/netI    0.0115
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            102401
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         3.05
_exptl_absorpt_coefficient_mu    1.377
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.792
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'CrystalClear, Rigaku MSC, 2005'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.766
_exptl_crystal_description       parallelepiped
_exptl_crystal_F_000             1648
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.09
_refine_diff_density_max         1.720
_refine_diff_density_min         -1.178
_refine_diff_density_rms         0.082
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1027
_refine_ls_number_reflns         11707
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.031
_refine_ls_R_factor_all          0.0357
_refine_ls_R_factor_gt           0.0322
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0487P)²+3.8606P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0892
_refine_ls_wR_factor_ref         0.0916
_reflns_number_gt                10515
_reflns_number_total             11707
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic302598d_si_003.cif
_cod_data_source_block           compound1
_cod_original_cell_volume        2987.91(11)
_cod_database_code               4334608
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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
Cu1 Cu -0.358258(19) 0.185208(18) 0.588538(16) 0.01142(7) Uani 1 1 d
Cu2 Cu 0.353071(19) 0.482369(18) 1.069758(16) 0.01102(7) Uani 1 1 d
Cu3 Cu -0.358976(19) -0.158619(18) 0.264950(16) 0.01080(7) Uani 1 1 d
P1 P -0.30241(4) 0.04958(4) 0.67215(3) 0.01223(11) Uani 1 1 d
P2 P -0.19536(4) 0.32138(4) 0.55123(4) 0.01290(11) Uani 1 1 d
P3 P 0.18279(4) 0.34200(4) 1.10027(4) 0.01276(11) Uani 1 1 d
P4 P 0.30830(4) 0.62863(4) 0.99576(3) 0.01121(11) Uani 1 1 d
P5 P -0.19081(4) -0.02214(4) 0.22930(4) 0.01194(11) Uani 1 1 d
P6 P -0.31284(4) -0.30165(4) 0.34254(3) 0.01073(11) Uani 1 1 d
C1 C -0.20302(17) 0.09735(15) 0.62853(14) 0.0130(4) Uani 1 1 d
C2 C -0.14912(17) 0.22732(16) 0.57555(14) 0.0133(4) Uani 1 1 d
C3 C -0.14372(17) 0.27682(16) 0.73245(14) 0.0136(4) Uani 1 1 d
C4 C -0.02168(17) 0.30231(17) 0.77859(15) 0.0169(4) Uani 1 1 d
C5 C 0.02001(18) 0.37140(17) 0.87936(14) 0.0163(4) Uani 1 1 d
C6 C 0.14195(17) 0.39729(16) 0.92559(14) 0.0132(4) Uani 1 1 d
C7 C 0.14364(17) 0.44201(16) 1.08134(14) 0.0134(4) Uani 1 1 d
C8 C 0.20308(17) 0.57608(15) 1.03315(14) 0.0128(4) Uani 1 1 d
N1 N -0.19818(13) 0.19860(12) 0.63585(11) 0.0117(3) Uani 1 1 d
N2 N 0.19550(13) 0.47320(12) 1.02315(11) 0.0112(3) Uani 1 1 d
O1 O -0.38432(12) 0.10255(11) 0.65461(10) 0.0145(3) Uani 1 1 d
O2 O -0.35863(12) -0.06324(11) 0.61586(10) 0.0160(3) Uani 1 1 d
O3 O -0.24208(13) 0.07905(13) 0.77138(10) 0.0235(4) Uani 1 1 d
O4 O -0.31402(12) 0.28810(12) 0.54704(11) 0.0181(3) Uani 1 1 d
O5 O -0.19072(12) 0.31357(11) 0.46095(10) 0.0166(3) Uani 1 1 d
O6 O -0.12573(13) 0.42393(11) 0.62945(11) 0.0207(3) Uani 1 1 d
O7 O 0.18085(12) 0.34843(12) 1.19128(10) 0.0175(3) Uani 1 1 d
O8 O 0.10833(13) 0.24172(12) 1.02199(11) 0.0218(3) Uani 1 1 d
O9 O 0.30151(12) 0.37288(11) 1.10323(10) 0.0148(3) Uani 1 1 d
O10 O 0.38585(12) 0.57099(11) 1.01058(10) 0.0138(3) Uani 1 1 d
O11 O 0.25400(13) 0.60786(12) 0.89751(10) 0.0182(3) Uani 1 1 d
O12 O 0.36506(12) 0.73964(11) 1.05837(10) 0.0164(3) Uani 1 1 d
C41 C -0.20475(17) -0.24786(15) 0.30834(14) 0.0127(4) Uani 1 1 d
C42 C -0.15251(17) -0.12169(15) 0.25025(14) 0.0126(4) Uani 1 1 d
C43 C -0.14593(17) -0.06803(15) 0.40778(13) 0.0127(4) Uani 1 1 d
C44 C -0.02211(17) -0.03605(16) 0.44994(14) 0.0152(4) Uani 1 1 d
N41 N -0.20102(13) -0.14790(12) 0.31219(11) 0.0108(3) Uani 1 1 d
O41 O -0.11406(12) 0.07937(11) 0.30560(10) 0.0180(3) Uani 1 1 d
O42 O -0.19262(12) -0.03299(11) 0.13676(10) 0.0178(3) Uani 1 1 d
O43 O -0.30736(12) -0.04876(11) 0.23165(10) 0.0149(3) Uani 1 1 d
O44 O -0.26453(12) -0.28538(12) 0.44028(10) 0.0183(3) Uani 1 1 d
O45 O -0.38976(12) -0.24369(11) 0.32816(10) 0.0138(3) Uani 1 1 d
O46 O -0.36822(12) -0.41186(11) 0.27665(10) 0.0153(3) Uani 1 1 d
Na1 Na -0.02653(7) 0.36727(6) 0.43588(6) 0.01679(18) Uani 1 1 d
Na2 Na 0.02263(7) 0.29334(6) 0.22692(6) 0.01746(18) Uani 1 1 d
Na3 Na -0.03632(9) 0.03076(8) 0.10632(7) 0.0320(2) Uani 1 1 d
Na4 Na 0.43286(8) 0.47401(8) 0.40283(6) 0.0286(2) Uani 1 1 d
Na5 Na 0.48963(7) 0.28438(7) 0.28556(6) 0.0238(2) Uani 1 1 d
Na6 Na 0.39145(8) 0.02976(7) 0.11722(7) 0.0296(2) Uani 1 1 d
O1W O -0.50775(14) 0.18544(14) 0.55453(13) 0.0186(3) Uani 1 1 d
O2W O -0.39887(15) 0.04920(13) 0.45702(11) 0.0201(3) Uani 1 1 d
O3W O 0.39124(15) 0.60655(13) 1.20983(11) 0.0203(3) Uani 1 1 d
O4W O 0.50148(13) 0.48025(13) 1.10188(13) 0.0177(3) Uani 1 1 d
O5W O -0.50748(14) -0.15815(15) 0.23235(14) 0.0199(4) Uani 1 1 d
O6W O -0.39743(14) -0.28392(13) 0.12883(11) 0.0195(3) Uani 1 1 d
O7W O 0.12579(13) 0.40341(11) 0.38614(11) 0.0201(3) Uani 1 1 d
O8W O -0.12272(13) 0.25213(13) 0.28010(11) 0.0186(3) Uani 1 1 d
O9W O 0.05488(16) 0.49224(12) 0.58934(12) 0.0194(3) Uani 1 1 d
O10W O 0.02825(17) 0.24197(15) 0.47779(13) 0.0245(4) Uani 1 1 d
O11W O -0.06677(17) 0.16809(13) 0.07448(12) 0.0241(4) Uani 1 1 d
O12W O -0.02498(18) 0.42373(15) 0.19224(14) 0.0256(4) Uani 1 1 d
O13W O 0.05673(17) 0.15583(13) 0.25894(13) 0.0230(4) Uani 1 1 d
O14W O 0.02358(18) -0.09138(16) 0.14989(14) 0.0414(5) Uani 1 1 d
O15W O 0.1064(4) 0.0722(2) 0.0462(2) 0.1009(14) Uani 1 1 d
O16W O 0.31655(16) 0.28870(16) 0.29333(15) 0.0333(4) Uani 1 1 d
O17W O 0.47607(14) 0.43056(13) 0.27238(12) 0.0211(3) Uani 1 1 d
O18W O 0.31618(17) 0.53201(15) 0.32149(13) 0.0265(4) Uani 1 1 d
O19W O 0.64590(14) 0.54838(12) 0.48192(11) 0.0250(4) Uani 1 1 d
O20W O 0.48821(16) 0.65083(14) 0.53291(13) 0.0311(4) Uani 1 1 d
O21W O 0.67460(15) 0.38374(14) 0.36925(13) 0.0235(4) Uani 1 1 d
O22W O 0.48167(16) 0.19717(13) 0.13701(13) 0.0270(4) Uani 1 1 d
O23W O 0.4721(2) 0.12578(15) 0.28230(14) 0.0377(5) Uani 1 1 d
O24W O 0.25229(15) -0.13516(15) 0.06617(13) 0.0251(4) Uani 1 1 d
O25W O 0.33815(18) -0.02804(14) -0.04100(13) 0.0256(4) Uani 1 1 d
O26W O 0.50918(15) -0.06275(14) 0.09734(13) 0.0276(4) Uani 1 1 d
O27W O 0.2594(3) 0.0784(2) 0.1727(2) 0.0815(9) Uani 1 1 d
O28W O -0.34464(15) -0.21823(14) 0.00763(12) 0.0234(4) Uani 1 1 d
O29W O -0.24169(15) 0.47686(15) 0.27360(13) 0.0260(4) Uani 1 1 d
O30W O -0.25823(16) -0.19420(15) 0.60626(13) 0.0276(4) Uani 1 1 d
O31W O -0.32652(18) 0.11940(16) 0.34590(14) 0.0316(4) Uani 1 1 d
O32W O 0.30901(16) 0.77538(18) 0.86010(14) 0.0265(4) Uani 1 1 d
H1A H -0.226(2) 0.0553(19) 0.5672(18) 0.017(6) Uiso 1 1 d
H1B H -0.133(2) 0.099(2) 0.6582(18) 0.022(7) Uiso 1 1 d
H2A H -0.179(2) 0.171(2) 0.519(2) 0.028 Uiso 1 1 d
H2B H -0.074(2) 0.2517(19) 0.6002(18) 0.021(7) Uiso 1 1 d
H3A H -0.1557(19) 0.3347(18) 0.7307(16) 0.011(6) Uiso 1 1 d
H3B H -0.182(2) 0.254(2) 0.7652(19) 0.026(7) Uiso 1 1 d
H4A H 0.012(2) 0.331(2) 0.752(2) 0.029(8) Uiso 1 1 d
H4B H -0.008(2) 0.244(2) 0.7723(19) 0.027(7) Uiso 1 1 d
H5A H 0.007(2) 0.428(2) 0.8846(18) 0.020(7) Uiso 1 1 d
H5B H -0.016(2) 0.343(2) 0.9046(19) 0.025(7) Uiso 1 1 d
H6A H 0.179(2) 0.4257(19) 0.8919(18) 0.018(6) Uiso 1 1 d
H6B H 0.1519(19) 0.3392(19) 0.9235(16) 0.011(6) Uiso 1 1 d
H7A H 0.067(2) 0.422(2) 1.0534(18) 0.022(7) Uiso 1 1 d
H7B H 0.176(2) 0.500(2) 1.1404(19) 0.020(6) Uiso 1 1 d
H8A H 0.134(2) 0.5792(19) 1.0029(17) 0.018(6) Uiso 1 1 d
H8B H 0.225(2) 0.616(2) 1.0949(19) 0.018(6) Uiso 1 1 d
H41A H -0.137(2) -0.2471(19) 0.3441(18) 0.020(6) Uiso 1 1 d
H41B H -0.224(2) -0.292(2) 0.2476(19) 0.018(6) Uiso 1 1 d
H42A H -0.186(2) -0.1806(19) 0.1948(17) 0.014(6) Uiso 1 1 d
H42B H -0.074(2) -0.1040(19) 0.2782(17) 0.019(6) Uiso 1 1 d
H43A H -0.1591(19) -0.0116(19) 0.4074(16) 0.011(6) Uiso 1 1 d
H43B H -0.179(2) -0.0949(19) 0.4431(18) 0.020(6) Uiso 1 1 d
H44A H 0.008(2) -0.006(2) 0.4194(18) 0.017(6) Uiso 1 1 d
H44B H -0.005(2) -0.092(2) 0.4423(18) 0.023(7) Uiso 1 1 d
H1WA H -0.539(3) 0.198(2) 0.588(2) 0.032(8) Uiso 1 1 d
H1WB H -0.541(3) 0.153(3) 0.514(2) 0.028(10) Uiso 1 1 d
H2WA H -0.380(3) 0.071(3) 0.421(2) 0.046(10) Uiso 1 1 d
H2WB H -0.457(3) 0.011(2) 0.429(2) 0.029(8) Uiso 1 1 d
HW3A H 0.447(3) 0.648(2) 1.238(2) 0.028(8) Uiso 1 1 d
HW3B H 0.375(3) 0.586(3) 1.248(2) 0.041(9) Uiso 1 1 d
HW4A H 0.538(3) 0.511(3) 1.148(3) 0.034(10) Uiso 1 1 d
HW4B H 0.530(3) 0.466(2) 1.065(2) 0.033(8) Uiso 1 1 d
HW5A H -0.538(3) -0.187(3) 0.190(3) 0.037(11) Uiso 1 1 d
HW5B H -0.536(3) -0.143(2) 0.265(2) 0.033(9) Uiso 1 1 d
H6WA H -0.388(3) -0.265(2) 0.092(2) 0.034(9) Uiso 1 1 d
H6WB H -0.454(3) -0.324(3) 0.104(2) 0.031(9) Uiso 1 1 d
HW7A H 0.1288 0.4461 0.3844 0.027 Uiso 1 1 d
HW7B H 0.1650 0.4075 0.4167 0.050 Uiso 1 1 d
HW8A H -0.1809 0.2485 0.2444 0.052 Uiso 1 1 d
HW8B H -0.128(2) 0.209(2) 0.2794(18) 0.012(8) Uiso 1 1 d
H9WA H 0.008(3) 0.474(2) 0.605(2) 0.027(8) Uiso 1 1 d
H9WB H 0.104(3) 0.500(3) 0.626(3) 0.042(10) Uiso 1 1 d
H10A H 0.082(3) 0.246(2) 0.488(2) 0.030(10) Uiso 1 1 d
H10B H -0.004(3) 0.189(3) 0.433(2) 0.036(9) Uiso 1 1 d
H11A H -0.021(3) 0.184(3) 0.057(2) 0.037(9) Uiso 1 1 d
H11B H -0.126(3) 0.154(3) 0.034(2) 0.042(10) Uiso 1 1 d
H12A H 0.005(3) 0.476(3) 0.238(2) 0.036(9) Uiso 1 1 d
H12B H -0.076(3) 0.423(3) 0.180(3) 0.044(12) Uiso 1 1 d
H13A H 0.108(3) 0.161(3) 0.291(2) 0.039(11) Uiso 1 1 d
H13B H 0.007(3) 0.135(3) 0.272(2) 0.040(10) Uiso 1 1 d
H14A H -0.0042 -0.1433 0.1020 0.048 Uiso 1 1 d
H14B H 0.0895 -0.0774 0.1570 0.082 Uiso 1 1 d
H15A H 0.1413 0.1458 0.0573 0.062 Uiso 1 1 d
H16A H 0.285(3) 0.258(3) 0.325(2) 0.048(9) Uiso 1 1 d
H16B H 0.294(2) 0.242(2) 0.246(2) 0.020 Uiso 1 1 d
H17A H 0.528(3) 0.482(3) 0.274(2) 0.044(9) Uiso 1 1 d
H17B H 0.427(3) 0.414(2) 0.225(2) 0.035(9) Uiso 1 1 d
H18A H 0.291(3) 0.569(3) 0.347(3) 0.048(10) Uiso 1 1 d
H18B H 0.269(3) 0.483(3) 0.286(2) 0.037(10) Uiso 1 1 d
H19A H 0.6879 0.5953 0.4740 0.042 Uiso 1 1 d
H19B H 0.6823 0.5288 0.4646 0.078 Uiso 1 1 d
H20A H 0.431(3) 0.674(3) 0.510(2) 0.056(10) Uiso 1 1 d
H20B H 0.540(3) 0.690(3) 0.539(2) 0.046(10) Uiso 1 1 d
H21A H 0.710(3) 0.368(3) 0.394(2) 0.038(10) Uiso 1 1 d
H21B H 0.699(3) 0.404(3) 0.340(3) 0.047(11) Uiso 1 1 d
H22A H 0.443(3) 0.198(3) 0.089(3) 0.052(10) Uiso 1 1 d
H22B H 0.547(3) 0.214(3) 0.142(2) 0.051(10) Uiso 1 1 d
H23A H 0.446(3) 0.109(3) 0.312(3) 0.053(11) Uiso 1 1 d
H23B H 0.546(4) 0.123(3) 0.301(3) 0.089(15) Uiso 1 1 d
H24A H 0.249(2) -0.124(2) 0.112(2) 0.019(7) Uiso 1 1 d
H24B H 0.281(3) -0.177(3) 0.060(2) 0.044(10) Uiso 1 1 d
H25A H 0.298(3) -0.020(2) -0.063(2) 0.032(10) Uiso 1 1 d
H25B H 0.392(3) -0.001(2) -0.052(2) 0.037(9) Uiso 1 1 d
H26A H 0.470(3) -0.128(3) 0.071(3) 0.061(11) Uiso 1 1 d
H26B H 0.559(3) -0.058(2) 0.141(2) 0.035(8) Uiso 1 1 d
H28A H -0.292(3) -0.168(3) 0.040(2) 0.037(9) Uiso 1 1 d
H28B H -0.324(3) -0.259(3) -0.020(2) 0.047(10) Uiso 1 1 d
H29A H -0.275(3) 0.514(3) 0.275(2) 0.037(9) Uiso 1 1 d
H29B H -0.251(2) 0.452(2) 0.227(2) 0.020(8) Uiso 1 1 d
H30A H -0.281(3) -0.151(3) 0.611(2) 0.033(9) Uiso 1 1 d
H30B H -0.259(2) -0.217(2) 0.558(2) 0.021(7) Uiso 1 1 d
H31A H -0.283(3) 0.169(3) 0.369(2) 0.025(8) Uiso 1 1 d
H31B H -0.307(3) 0.080(3) 0.317(3) 0.045(10) Uiso 1 1 d
H32A H 0.288(2) 0.737(2) 0.8712(19) 0.017(8) Uiso 1 1 d
H32B H 0.308(3) 0.816(3) 0.888(2) 0.038(12) Uiso 1 1 d
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'
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'
Na Na 0.0362 0.0249 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
O4 Cu1 O1W 90.41(7) . .
O4 Cu1 O1 168.67(7) . .
O1W Cu1 O1 93.47(7) . .
O4 Cu1 N1 88.33(6) . .
O1W Cu1 N1 173.96(8) . .
O1 Cu1 N1 86.71(6) . .
O4 Cu1 O2W 97.22(7) . .
O1W Cu1 O2W 94.57(7) . .
O1 Cu1 O2W 93.09(6) . .
N1 Cu1 O2W 91.45(6) . .
O9 Cu2 O10 168.20(6) . .
O9 Cu2 O4W 92.01(7) . .
O10 Cu2 O4W 91.83(7) . .
O9 Cu2 N2 87.72(6) . .
O10 Cu2 N2 87.28(6) . .
O4W Cu2 N2 173.92(7) . .
O9 Cu2 O3W 93.87(6) . .
O10 Cu2 O3W 96.94(6) . .
O4W Cu2 O3W 94.59(7) . .
N2 Cu2 O3W 91.49(6) . .
O5W Cu3 O43 92.46(7) . .
O5W Cu3 O45 91.63(7) . .
O43 Cu3 O45 166.29(6) . .
O5W Cu3 N41 173.91(8) . .
O43 Cu3 N41 87.34(6) . .
O45 Cu3 N41 87.21(6) . .
O5W Cu3 O6W 94.28(8) . .
O43 Cu3 O6W 95.58(6) . .
O45 Cu3 O6W 97.16(6) . .
N41 Cu3 O6W 91.80(6) . .
O3 P1 O2 113.28(9) . .
O3 P1 O1 113.38(9) . .
O2 P1 O1 110.60(8) . .
O3 P1 C1 107.78(10) . .
O2 P1 C1 108.21(9) . .
O1 P1 C1 102.91(9) . .
O5 P2 O6 113.82(9) . .
O5 P2 O4 112.74(9) . .
O6 P2 O4 110.43(9) . .
O5 P2 C2 107.52(9) . .
O6 P2 C2 109.33(10) . .
O4 P2 C2 102.28(9) . .
O8 P3 O7 113.32(9) . .
O8 P3 O9 111.85(9) . .
O7 P3 O9 111.78(9) . .
O8 P3 C7 110.12(10) . .
O7 P3 C7 107.86(9) . .
O9 P3 C7 101.14(9) . .
O11 P4 O12 112.94(9) . .
O11 P4 O10 113.43(9) . .
O12 P4 O10 111.42(9) . .
O11 P4 C8 108.63(9) . .
O12 P4 C8 107.47(9) . .
O10 P4 C8 102.19(9) . .
O42 P5 O41 113.71(9) . .
O42 P5 O43 112.69(9) . .
O41 P5 O43 110.61(9) . .
O42 P5 C42 107.83(9) . .
O41 P5 C42 110.27(9) . .
O43 P5 C42 100.93(9) . .
O44 P6 O46 112.67(9) . .
O44 P6 O45 112.75(9) . .
O46 P6 O45 111.52(8) . .
O44 P6 C41 110.28(9) . .
O46 P6 C41 106.06(9) . .
O45 P6 C41 102.89(9) . .
N1 C1 P1 109.38(13) . .
N1 C1 H1A 107.6(16) . .
P1 C1 H1A 109.0(16) . .
N1 C1 H1B 111.3(16) . .
P1 C1 H1B 112.4(16) . .
H1A C1 H1B 107(2) . .
N1 C2 P2 109.31(13) . .
N1 C2 H2A 107.3(17) . .
P2 C2 H2A 104.9(17) . .
N1 C2 H2B 112.8(16) . .
P2 C2 H2B 109.6(16) . .
H2A C2 H2B 113(2) . .
N1 C3 C4 115.91(17) . .
N1 C3 H3A 105.5(15) . .
C4 C3 H3A 109.6(15) . .
N1 C3 H3B 106.7(17) . .
C4 C3 H3B 110.3(17) . .
H3A C3 H3B 109(2) . .
C3 C4 C5 110.53(18) . .
C3 C4 H4A 108(2) . .
C5 C4 H4A 110(2) . .
C3 C4 H4B 110.0(18) . .
C5 C4 H4B 109.1(18) . .
H4A C4 H4B 109(3) . .
C6 C5 C4 110.67(18) . .
C6 C5 H5A 109.6(18) . .
C4 C5 H5A 108.2(17) . .
C6 C5 H5B 110.8(19) . .
C4 C5 H5B 109.4(19) . .
H5A C5 H5B 108(3) . .
N2 C6 C5 115.95(17) . .
N2 C6 H6A 106.5(15) . .
C5 C6 H6A 107.8(15) . .
N2 C6 H6B 107.6(15) . .
C5 C6 H6B 107.8(15) . .
H6A C6 H6B 111(2) . .
N2 C7 P3 109.70(14) . .
N2 C7 H7A 109.0(16) . .
P3 C7 H7A 112.6(16) . .
N2 C7 H7B 105.9(16) . .
P3 C7 H7B 106.5(15) . .
H7A C7 H7B 113(2) . .
N2 C8 P4 110.27(13) . .
N2 C8 H8A 113.6(15) . .
P4 C8 H8A 111.2(15) . .
N2 C8 H8B 106.7(16) . .
P4 C8 H8B 108.3(16) . .
H8A C8 H8B 106(2) . .
C2 N1 C1 111.98(16) . .
C2 N1 C3 112.43(16) . .
C1 N1 C3 112.24(16) . .
C2 N1 Cu1 106.92(12) . .
C1 N1 Cu1 105.03(12) . .
C3 N1 Cu1 107.72(12) . .
C7 N2 C8 112.25(16) . .
C7 N2 C6 112.32(16) . .
C8 N2 C6 112.28(16) . .
C7 N2 Cu2 107.01(12) . .
C8 N2 Cu2 105.41(12) . .
C6 N2 Cu2 107.04(12) . .
P1 O1 Cu1 115.86(8) . .
P2 O4 Cu1 117.51(9) . .
P2 O5 Na1 125.12(9) . .
P3 O7 Na2 127.98(9) . 1_556
P3 O9 Cu2 118.23(8) . .
P4 O10 Cu2 116.47(8) . .
N41 C41 P6 110.78(13) . .
N41 C41 H41A 114.0(16) . .
P6 C41 H41A 109.1(16) . .
N41 C41 H41B 108.6(16) . .
P6 C41 H41B 105.9(16) . .
H41A C41 H41B 108(2) . .
N41 C42 P5 109.67(13) . .
N41 C42 H42A 104.9(15) . .
P5 C42 H42A 108.2(15) . .
N41 C42 H42B 107.2(15) . .
P5 C42 H42B 114.1(15) . .
H42A C42 H42B 112(2) . .
N41 C43 C44 115.46(17) . .
N41 C43 H43A 107.5(15) . .
C44 C43 H43A 106.4(15) . .
N41 C43 H43B 105.7(16) . .
C44 C43 H43B 109.7(16) . .
H43A C43 H43B 112(2) . .
C44 C44 C43 110.2(2) 2_556 .
C44 C44 H44A 110.3(17) 2_556 .
C43 C44 H44A 108.7(17) . .
C44 C44 H44B 111.5(17) 2_556 .
C43 C44 H44B 109.0(18) . .
H44A C44 H44B 107(2) . .
C41 N41 C42 112.23(15) . .
C41 N41 C43 111.50(16) . .
C42 N41 C43 112.44(16) . .
C41 N41 Cu3 106.62(12) . .
C42 N41 Cu3 106.16(12) . .
C43 N41 Cu3 107.45(12) . .
P5 O42 Na3 125.03(9) . .
P5 O43 Cu3 118.01(8) . .
P6 O45 Cu3 116.09(8) . .
O8W Na1 O9W 173.22(7) . .
O8W Na1 O5 88.94(6) . .
O9W Na1 O5 87.78(6) . .
O8W Na1 O9W 93.96(7) . 2_566
O9W Na1 O9W 80.46(7) . 2_566
O5 Na1 O9W 95.68(6) . 2_566
O8W Na1 O10W 92.64(7) . .
O9W Na1 O10W 93.26(7) . .
O5 Na1 O10W 89.33(7) . .
O9W Na1 O10W 171.77(8) 2_566 .
O8W Na1 O7W 82.36(6) . .
O9W Na1 O7W 100.89(7) . .
O5 Na1 O7W 171.30(6) . .
O9W Na1 O7W 85.20(6) 2_566 .
O10W Na1 O7W 90.83(6) . .
O8W Na1 Na2 41.26(4) . .
O9W Na1 Na2 141.29(6) . .
O5 Na1 Na2 130.13(5) . .
O9W Na1 Na2 87.25(5) 2_566 .
O10W Na1 Na2 94.50(5) . .
O7W Na1 Na2 41.19(4) . .
O8W Na1 Na1 133.77(6) . 2_566
O9W Na1 Na1 40.53(4) . 2_566
O5 Na1 Na1 92.30(5) . 2_566
O9W Na1 Na1 39.93(4) 2_566 2_566
O10W Na1 Na1 133.57(6) . 2_566
O7W Na1 Na1 93.89(5) . 2_566
Na2 Na1 Na1 118.44(4) . 2_566
O8W Na1 HW7A 85.9 . .
O9W Na1 HW7A 95.9 . .
O5 Na1 HW7A 165.8 . .
O9W Na1 HW7A 71.6 2_566 .
O10W Na1 HW7A 104.1 . .
O7W Na1 HW7A 13.8 . .
Na2 Na1 HW7A 45.4 . .
Na1 Na1 HW7A 81.9 2_566 .
O8W Na1 HW7B 92.0 . .
O9W Na1 HW7B 92.1 . .
O5 Na1 HW7B 171.4 . .
O9W Na1 HW7B 92.8 2_566 .
O10W Na1 HW7B 82.0 . .
O7W Na1 HW7B 12.8 . .
Na2 Na1 HW7B 51.8 . .
Na1 Na1 HW7B 93.2 2_566 .
HW7A Na1 HW7B 22.6 . .
O8W Na1 HW8B 13.5(6) . .
O9W Na1 HW8B 170.1(6) . .
O5 Na1 HW8B 85.3(6) . .
O9W Na1 HW8B 107.3(6) 2_566 .
O10W Na1 HW8B 79.6(6) . .
O7W Na1 HW8B 86.2(6) . .
Na2 Na1 HW8B 47.1(6) . .
Na1 Na1 HW8B 146.8(6) 2_566 .
HW7A Na1 HW8B 92.5 . .
HW7B Na1 HW8B 93.7 . .
O8W Na1 H9WA 159.4(7) . .
O9W Na1 H9WA 17.3(7) . .
O5 Na1 H9WA 70.7(7) . .
O9W Na1 H9WA 85.3(7) 2_566 .
O10W Na1 H9WA 90.3(7) . .
O7W Na1 H9WA 118.0(8) . .
Na2 Na1 H9WA 158.6(8) . .
Na1 Na1 H9WA 47.5(7) 2_566 .
HW7A Na1 H9WA 113.2 . .
HW7B Na1 H9WA 108.6 . .
HW8B Na1 H9WA 154.1(10) . .
O11W Na2 O7W 171.42(7) . .
O11W Na2 O8W 98.81(7) . .
O7W Na2 O8W 82.33(6) . .
O11W Na2 O7 87.65(7) . 1_554
O7W Na2 O7 91.19(6) . 1_554
O8W Na2 O7 173.52(7) . 1_554
O11W Na2 O12W 95.05(7) . .
O7W Na2 O12W 93.32(7) . .
O8W Na2 O12W 94.54(7) . .
O7 Na2 O12W 85.41(7) 1_554 .
O11W Na2 O13W 83.37(7) . .
O7W Na2 O13W 88.39(6) . .
O8W Na2 O13W 82.02(7) . .
O7 Na2 O13W 98.24(7) 1_554 .
O12W Na2 O13W 175.93(8) . .
O11W Na2 Na3 42.19(5) . .
O7W Na2 Na3 129.57(5) . .
O8W Na2 Na3 89.74(5) . .
O7 Na2 Na3 94.71(5) 1_554 .
O12W Na2 Na3 137.04(6) . .
O13W Na2 Na3 41.19(5) . .
O11W Na2 Na1 138.85(6) . .
O7W Na2 Na1 42.16(4) . .
O8W Na2 Na1 40.27(4) . .
O7 Na2 Na1 133.25(5) 1_554 .
O12W Na2 Na1 93.05(5) . .
O13W Na2 Na1 85.75(5) . .
Na3 Na2 Na1 116.17(3) . .
O11W Na2 HW7A 172.5 . .
O7W Na2 HW7A 14.4 . .
O8W Na2 HW7A 86.7 . .
O7 Na2 HW7A 87.0 1_554 .
O12W Na2 HW7A 79.3 . .
O13W Na2 HW7A 102.6 . .
Na3 Na2 HW7A 143.7 . .
Na1 Na2 HW7A 47.2 . .
O11W Na2 HW8B 93.3(6) . .
O7W Na2 HW8B 85.9(6) . .
O8W Na2 HW8B 13.2(6) . .
O7 Na2 HW8B 167.3(6) 1_554 .
O12W Na2 HW8B 107.1(6) . .
O13W Na2 HW8B 69.3(6) . .
Na3 Na2 HW8B 77.8(6) . .
Na1 Na2 HW8B 45.9(6) . .
HW7A Na2 HW8B 93.1 . .
O11W Na2 H11A 17.3(8) . .
O7W Na2 H11A 160.3(8) . .
O8W Na2 H11A 116.1(8) . .
O7 Na2 H11A 70.4(8) 1_554 .
O12W Na2 H11A 92.1(7) . .
O13W Na2 H11A 87.5(7) . .
Na3 Na2 H11A 48.8(7) . .
Na1 Na2 H11A 156.1(8) . .
HW7A Na2 H11A 156.4 . .
HW8B Na2 H11A 110.5(10) . .
O15W Na3 O13W 170.42(10) 2 .
O15W Na3 O42 97.86(11) 2 .
O13W Na3 O42 90.99(7) . .
O15W Na3 O11W 90.81(9) 2 .
O13W Na3 O11W 83.76(7) . .
O42 Na3 O11W 101.85(7) . .
O15W Na3 O14W 93.42(9) 2 .
O13W Na3 O14W 90.99(7) . .
O42 Na3 O14W 85.02(7) . .
O11W Na3 O14W 171.38(9) . .
O15W Na3 O15W 71.67(17) 2 .
O13W Na3 O15W 99.51(11) . .
O42 Na3 O15W 169.50(11) . .
O11W Na3 O15W 79.57(9) . .
O14W Na3 O15W 94.64(10) . .
O15W Na3 Na2 131.52(8) 2 .
O13W Na3 Na2 42.70(5) . .
O42 Na3 Na2 98.00(5) . .
O11W Na3 Na2 41.07(5) . .
O14W Na3 Na2 133.42(6) . .
O15W Na3 Na2 89.88(7) . .
O15W Na3 Na3 37.42(10) 2 2
O13W Na3 Na3 133.66(7) . 2
O42 Na3 Na3 135.28(7) . 2
O11W Na3 Na3 83.82(6) . 2
O14W Na3 Na3 94.99(6) . 2
O15W Na3 Na3 34.25(9) . 2
Na2 Na3 Na3 113.06(4) . 2
O15W Na3 H13B 170.3(9) 2 .
O13W Na3 H13B 18.2(9) . .
O42 Na3 H13B 72.8(9) . .
O11W Na3 H13B 88.4(8) . .
O14W Na3 H13B 88.6(8) . .
O15W Na3 H13B 117.7(9) . .
Na2 Na3 H13B 49.5(8) . .
Na3 Na3 H13B 151.8(9) 2 .
O18W Na4 O17W 82.56(7) . .
O18W Na4 O19W 103.94(7) . 2_666
O17W Na4 O19W 159.06(7) . 2_666
O18W Na4 O16W 93.02(7) . .
O17W Na4 O16W 70.43(7) . .
O19W Na4 O16W 89.19(7) 2_666 .
O18W Na4 O19W 129.35(7) . .
O17W Na4 O19W 80.76(6) . .
O19W Na4 O19W 108.47(6) 2_666 .
O16W Na4 O19W 124.74(7) . .
O18W Na4 O20W 81.87(7) . .
O17W Na4 O20W 129.25(7) . .
O19W Na4 O20W 71.67(6) 2_666 .
O16W Na4 O20W 158.14(8) . .
O19W Na4 O20W 72.95(6) . .
O18W Na4 O20W 161.60(8) . 2_666
O17W Na4 O20W 96.30(7) . 2_666
O19W Na4 O20W 71.18(6) 2_666 2_666
O16W Na4 O20W 69.51(6) . 2_666
O19W Na4 O20W 68.07(6) . 2_666
O20W Na4 O20W 112.12(6) . 2_666
O18W Na4 Na4 138.81(8) . 2_666
O17W Na4 Na4 130.52(7) . 2_666
O19W Na4 Na4 55.24(5) 2_666 2_666
O16W Na4 Na4 118.79(7) . 2_666
O19W Na4 Na4 53.23(5) . 2_666
O20W Na4 Na4 58.70(5) . 2_666
O20W Na4 Na4 53.42(5) 2_666 2_666
O18W Na4 Na5 118.17(6) . .
O17W Na4 Na5 45.19(5) . .
O19W Na4 Na5 116.52(5) 2_666 .
O16W Na4 Na5 46.43(5) . .
O19W Na4 Na5 79.83(5) . .
O20W Na4 Na5 152.71(6) . .
O20W Na4 Na5 53.69(5) 2_666 .
Na4 Na4 Na5 102.95(5) 2_666 .
O18W Na4 H18B 16.6(8) . .
O17W Na4 H18B 78.8(7) . .
O19W Na4 H18B 101.6(7) 2_666 .
O16W Na4 H18B 76.5(8) . .
O19W Na4 H18B 142.5(8) . .
O20W Na4 H18B 96.6(8) . .
O20W Na4 H18B 145.2(8) 2_666 .
Na4 Na4 H18B 149.0(8) 2_666 .
Na5 Na4 H18B 106.3(8) . .
O21W Na5 O23W 105.24(9) . .
O21W Na5 O17W 84.32(7) . .
O23W Na5 O17W 170.40(9) . .
O21W Na5 O22W 103.70(8) . .
O23W Na5 O22W 79.39(7) . .
O17W Na5 O22W 97.76(7) . .
O21W Na5 O16W 137.10(8) . .
O23W Na5 O16W 99.50(8) . .
O17W Na5 O16W 73.27(7) . .
O22W Na5 O16W 115.04(8) . .
O21W Na5 O20W 75.42(7) . 2_666
O23W Na5 O20W 87.42(7) . 2_666
O17W Na5 O20W 95.97(6) . 2_666
O22W Na5 O20W 166.09(7) . 2_666
O16W Na5 O20W 71.25(7) . 2_666
O21W Na5 Na4 88.00(6) . .
O23W Na5 Na4 134.20(6) . .
O17W Na5 Na4 45.36(5) . .
O22W Na5 Na4 140.61(6) . .
O16W Na5 Na4 50.32(6) . .
O20W Na5 Na4 53.17(4) 2_666 .
O21W Na5 Na6 123.50(6) . .
O23W Na5 Na6 42.28(6) . .
O17W Na5 Na6 131.28(6) . .
O22W Na5 Na6 41.45(5) . .
O16W Na5 Na6 98.32(6) . .
O20W Na5 Na6 127.41(5) 2_666 .
Na4 Na5 Na6 148.43(4) . .
O21W Na5 H16B 155.6(7) . .
O23W Na5 H16B 90.2(7) . .
O17W Na5 H16B 81.0(7) . .
O22W Na5 H16B 97.6(7) . .
O16W Na5 H16B 18.6(7) . .
O20W Na5 H16B 86.8(7) 2_666 .
Na4 Na5 H16B 67.8(7) . .
Na6 Na5 H16B 80.6(7) . .
O25W Na6 O22W 89.85(7) . .
O25W Na6 O26W 81.70(7) . .
O22W Na6 O26W 109.14(8) . .
O25W Na6 O27W 113.94(11) . .
O22W Na6 O27W 91.31(9) . .
O26W Na6 O27W 154.74(10) . .
O25W Na6 O23W 166.72(8) . .
O22W Na6 O23W 77.02(7) . .
O26W Na6 O23W 100.50(8) . .
O27W Na6 O23W 69.03(10) . .
O25W Na6 O24W 79.94(7) . .
O22W Na6 O24W 162.21(8) . .
O26W Na6 O24W 83.94(7) . .
O27W Na6 O24W 79.78(9) . .
O23W Na6 O24W 113.27(8) . .
O25W Na6 Na5 127.93(6) . .
O22W Na6 Na5 40.88(5) . .
O26W Na6 Na5 122.82(6) . .
O27W Na6 Na5 64.33(8) . .
O23W Na6 Na5 40.30(5) . .
O24W Na6 Na5 140.77(6) . .
O25W Na6 H24A 96.3(7) . .
O22W Na6 H24A 160.8(6) . .
O26W Na6 H24A 89.8(6) . .
O27W Na6 H24A 69.5(7) . .
O23W Na6 H24A 96.8(7) . .
O24W Na6 H24A 16.7(7) . .
Na5 Na6 H24A 125.4(7) . .
Cu1 O1W H1WA 126(2) . .
Cu1 O1W H1WB 114(3) . .
H1WA O1W H1WB 112(4) . .
Cu1 O2W H2WA 108(2) . .
Cu1 O2W H2WB 121(2) . .
H2WA O2W H2WB 105(3) . .
Cu2 O3W HW3A 122(2) . .
Cu2 O3W HW3B 116(2) . .
HW3A O3W HW3B 104(3) . .
Cu2 O4W HW4A 115(3) . .
Cu2 O4W HW4B 124(2) . .
HW4A O4W HW4B 116(4) . .
Cu3 O5W HW5A 113(3) . .
Cu3 O5W HW5B 126(2) . .
HW5A O5W HW5B 118(4) . .
Cu3 O6W H6WA 114(2) . .
Cu3 O6W H6WB 119(2) . .
H6WA O6W H6WB 104(3) . .
Na2 O7W Na1 96.65(6) . .
Na2 O7W HW7A 98.8 . .
Na1 O7W HW7A 102.2 . .
Na2 O7W HW7B 137.1 . .
Na1 O7W HW7B 104.1 . .
HW7A O7W HW7B 112.5 . .
Na1 O8W Na2 98.46(7) . .
Na1 O8W HW8A 126.7 . .
Na2 O8W HW8A 109.7 . .
Na1 O8W HW8B 105(2) . .
Na2 O8W HW8B 106(2) . .
HW8A O8W HW8B 109.0 . .
Na1 O9W Na1 99.54(7) . 2_566
Na1 O9W H9WA 98(2) . .
Na1 O9W H9WA 103(2) 2_566 .
Na1 O9W H9WB 128(3) . .
Na1 O9W H9WB 120(3) 2_566 .
H9WA O9W H9WB 103(3) . .
Na1 O10W H10A 118(3) . .
Na1 O10W H10B 107(2) . .
H10A O10W H10B 102(3) . .
Na2 O11W Na3 96.74(7) . .
Na2 O11W H11A 98(2) . .
Na3 O11W H11A 103(2) . .
Na2 O11W H11B 131(2) . .
Na3 O11W H11B 117(2) . .
H11A O11W H11B 107(3) . .
Na2 O12W H12A 109(2) . .
Na2 O12W H12B 123(3) . .
H12A O12W H12B 100(4) . .
Na3 O13W Na2 96.11(7) . .
Na3 O13W H13A 125(3) . .
Na2 O13W H13A 124(3) . .
Na3 O13W H13B 91(2) . .
Na2 O13W H13B 103(2) . .
H13A O13W H13B 111(4) . .
Na3 O14W H14A 104.3 . .
Na3 O14W H14B 107.6 . .
H14A O14W H14B 99.3 . .
Na3 O15W Na3 108.33(17) 2 .
Na3 O15W H15A 109.9 2 .
Na3 O15W H15A 118.0 . .
Na5 O16W Na4 83.26(7) . .
Na5 O16W H16A 121(2) . .
Na4 O16W H16A 108(2) . .
Na5 O16W H16B 81(2) . .
Na4 O16W H16B 153(2) . .
H16A O16W H16B 99(3) . .
Na5 O17W Na4 89.45(6) . .
Na5 O17W H17A 129(2) . .
Na4 O17W H17A 113(2) . .
Na5 O17W H17B 108(2) . .
Na4 O17W H17B 115(2) . .
H17A O17W H17B 103(3) . .
Na4 O18W H18A 120(3) . .
Na4 O18W H18B 102(3) . .
H18A O18W H18B 108(4) . .
Na4 O19W Na4 71.53(6) 2_666 .
Na4 O19W H19A 140.2 2_666 .
Na4 O19W H19A 123.5 . .
Na4 O19W H19B 132.3 2_666 .
Na4 O19W H19B 125.5 . .
H19A O19W H19B 72.7 . .
Na4 O20W Na4 67.88(6) . 2_666
Na4 O20W Na5 132.95(8) . 2_666
Na4 O20W Na5 73.14(5) 2_666 2_666
Na4 O20W H20A 104(2) . .
Na4 O20W H20A 154(2) 2_666 .
Na5 O20W H20A 100(2) 2_666 .
Na4 O20W H20B 114(3) . .
Na4 O20W H20B 103(3) 2_666 .
Na5 O20W H20B 100(3) 2_666 .
H20A O20W H20B 103(3) . .
Na5 O21W H21A 122(3) . .
Na5 O21W H21B 110(3) . .
H21A O21W H21B 111(4) . .
Na5 O22W Na6 97.67(7) . .
Na5 O22W H22A 125(2) . .
Na6 O22W H22A 103(2) . .
Na5 O22W H22B 105(2) . .
Na6 O22W H22B 117(2) . .
H22A O22W H22B 110(3) . .
Na5 O23W Na6 97.42(8) . .
Na5 O23W H23A 119(3) . .
Na6 O23W H23A 121(3) . .
Na5 O23W H23B 109(3) . .
Na6 O23W H23B 105(3) . .
H23A O23W H23B 106(4) . .
Na6 O24W H24A 94(2) . .
Na6 O24W H24B 109(3) . .
H24A O24W H24B 103(3) . .
Na6 O25W H25A 118(3) . .
Na6 O25W H25B 109(2) . .
H25A O25W H25B 105(4) . .
Na6 O26W H26A 110(2) . .
Na6 O26W H26B 122(2) . .
H26A O26W H26B 101(3) . .
H28A O28W H28B 107(3) . .
H29A O29W H29B 104(3) . .
H30A O30W H30B 110(3) . .
H31A O31W H31B 110(4) . .
H32A O32W H32B 107(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 O4 1.9541(15) .
Cu1 O1W 1.9745(17) .
Cu1 O1 1.9754(15) .
Cu1 N1 2.0534(17) .
Cu1 O2W 2.2954(17) .
Cu2 O9 1.9679(15) .
Cu2 O10 1.9693(14) .
Cu2 O4W 1.9705(16) .
Cu2 N2 2.0403(17) .
Cu2 O3W 2.3126(17) .
Cu3 O5W 1.9628(17) .
Cu3 O43 1.9710(14) .
Cu3 O45 1.9763(14) .
Cu3 N41 2.0386(17) .
Cu3 O6W 2.2733(17) .
P1 O3 1.5072(16) .
P1 O2 1.5233(15) .
P1 O1 1.5603(15) .
P1 C1 1.829(2) .
P2 O5 1.5145(15) .
P2 O6 1.5205(16) .
P2 O4 1.5534(15) .
P2 C2 1.827(2) .
P3 O8 1.5118(16) .
P3 O7 1.5203(15) .
P3 O9 1.5599(15) .
P3 C7 1.833(2) .
P4 O11 1.5118(15) .
P4 O12 1.5184(15) .
P4 O10 1.5608(15) .
P4 C8 1.840(2) .
P5 O42 1.5136(15) .
P5 O41 1.5171(15) .
P5 O43 1.5630(15) .
P5 C42 1.834(2) .
P6 O44 1.5143(15) .
P6 O46 1.5205(15) .
P6 O45 1.5566(15) .
P6 C41 1.839(2) .
C1 N1 1.492(3) .
C1 H1A 0.93(3) .
C1 H1B 0.95(3) .
C2 N1 1.487(3) .
C2 H2A 0.95(3) .
C2 H2B 0.93(3) .
C3 N1 1.503(3) .
C3 C4 1.526(3) .
C3 H3A 0.95(2) .
C3 H3B 0.95(3) .
C4 C5 1.527(3) .
C4 H4A 0.86(3) .
C4 H4B 0.94(3) .
C5 C6 1.523(3) .
C5 H5A 0.91(3) .
C5 H5B 0.87(3) .
C6 N2 1.504(3) .
C6 H6A 0.99(3) .
C6 H6B 0.92(3) .
C7 N2 1.492(3) .
C7 H7A 0.95(3) .
C7 H7B 0.98(3) .
C8 N2 1.496(3) .
C8 H8A 0.97(3) .
C8 H8B 0.93(3) .
O5 Na1 2.3987(17) .
O7 Na2 2.4328(17) 1_556
C41 N41 1.493(2) .
C41 H41A 0.95(3) .
C41 H41B 0.94(3) .
C42 N41 1.493(3) .
C42 H42A 0.95(3) .
C42 H42B 0.98(3) .
C43 N41 1.499(3) .
C43 C44 1.526(3) .
C43 H43A 0.92(3) .
C43 H43B 0.97(3) .
C44 C44 1.526(4) 2_556
C44 H44A 0.91(3) .
C44 H44B 0.91(3) .
O42 Na3 2.3878(18) .
Na1 O8W 2.3824(18) .
Na1 O9W 2.3918(19) .
Na1 O9W 2.4218(19) 2_566
Na1 O10W 2.460(2) .
Na1 O7W 2.4632(18) .
Na1 Na2 3.6453(13) .
Na1 Na1 3.6749(17) 2_566
Na1 HW7A 2.6788 .
Na1 HW7B 2.6782 .
Na1 HW8B 2.62(3) .
Na1 H9WA 2.62(3) .
Na2 O11W 2.3810(19) .
Na2 O7W 2.4171(18) .
Na2 O8W 2.4306(19) .
Na2 O7 2.4328(17) 1_554
Na2 O12W 2.439(2) .
Na2 O13W 2.455(2) .
Na2 Na3 3.5990(14) .
Na2 HW7A 2.5992 .
Na2 HW8B 2.67(3) .
Na2 H11A 2.61(3) .
Na3 O15W 2.298(4) 2
Na3 O13W 2.384(2) .
Na3 O11W 2.434(2) .
Na3 O14W 2.458(2) .
Na3 O15W 2.481(3) .
Na3 Na3 3.876(2) 2
Na3 H13B 2.53(3) .
Na4 O18W 2.358(2) .
Na4 O17W 2.3686(19) .
Na4 O19W 2.5496(19) 2_666
Na4 O16W 2.580(2) .
Na4 O19W 2.615(2) .
Na4 O20W 2.617(2) .
Na4 O20W 2.784(2) 2_666
Na4 Na4 3.0187(19) 2_666
Na4 Na5 3.3288(13) .
Na4 H18B 2.63(3) .
Na5 O21W 2.335(2) .
Na5 O23W 2.353(2) .
Na5 O17W 2.3617(18) .
Na5 O22W 2.382(2) .
Na5 O16W 2.428(2) .
Na5 O20W 2.803(2) 2_666
Na5 Na6 3.6074(13) .
Na5 H16B 2.43(3) .
Na6 O25W 2.355(2) .
Na6 O22W 2.410(2) .
Na6 O26W 2.414(2) .
Na6 O27W 2.417(3) .
Na6 O23W 2.447(2) .
Na6 O24W 2.449(2) .
Na6 H24A 2.61(3) .
O1W H1WA 0.81(4) .
O1W H1WB 0.65(3) .
O2W H2WA 0.86(4) .
O2W H2WB 0.76(3) .
O3W HW3A 0.75(4) .
O3W HW3B 0.87(4) .
O4W HW4A 0.71(4) .
O4W HW4B 0.81(4) .
O5W HW5A 0.64(4) .
O5W HW5B 0.77(4) .
O6W H6WA 0.80(4) .
O6W H6WB 0.75(4) .
O7W HW7A 0.6539 .
O7W HW7B 0.6098 .
O8W HW8A 0.8364 .
O8W HW8B 0.63(3) .
O9W Na1 2.4218(19) 2_566
O9W H9WA 0.79(3) .
O9W H9WB 0.74(4) .
O10W H10A 0.69(3) .
O10W H10B 0.81(4) .
O11W H11A 0.78(4) .
O11W H11B 0.83(4) .
O12W H12A 0.82(4) .
O12W H12B 0.67(4) .
O13W H13A 0.72(4) .
O13W H13B 0.79(4) .
O14W H14A 0.8288 .
O14W H14B 0.8395 .
O15W Na3 2.298(4) 2
O15W H15A 1.0349 .
O16W H16A 0.94(4) .
O16W H16B 0.79(3) .
O17W H17A 0.91(4) .
O17W H17B 0.80(3) .
O18W H18A 0.80(4) .
O18W H18B 0.77(4) .
O19W Na4 2.5496(19) 2_666
O19W H19A 0.8740 .
O19W H19B 0.7221 .
O20W Na4 2.784(2) 2_666
O20W Na5 2.803(2) 2_666
O20W H20A 0.98(4) .
O20W H20B 0.77(4) .
O21W H21A 0.70(4) .
O21W H21B 0.76(4) .
O22W H22A 0.85(4) .
O22W H22B 0.84(4) .
O23W H23A 0.77(4) .
O23W H23B 0.99(5) .
O24W H24A 0.75(3) .
O24W H24B 0.81(4) .
O25W H25A 0.64(3) .
O25W H25B 0.85(3) .
O26W H26A 0.89(4) .
O26W H26B 0.83(3) .
O28W H28A 0.80(4) .
O28W H28B 0.80(4) .
O29W H29A 0.82(4) .
O29W H29B 0.72(3) .
O30W H30A 0.78(4) .
O30W H30B 0.78(3) .
O31W H31A 0.73(3) .
O31W H31B 0.80(4) .
O32W H32A 0.69(3) .
O32W H32B 0.65(4) .
