#------------------------------------------------------------------------------
#$Date: 2016-03-24 00:05:28 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179523 $
#$URL: svn://www.crystallography.net/cod/cif/4/34/20/4342078.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_4342078
loop_
_publ_author_name
'Lv, Li Li'
'Yang, Jin'
'Zhang, Hong-Mei'
'Liu, Ying-Ying'
'Ma, Jian-Fang'
_publ_section_title
;
 Metal-Ion Exchange, Small-Molecule Sensing, Selective Dye Adsorption, and
 Reversible Iodine Uptake of Three Coordination Polymers Constructed by a
 New Resorcin[4]arene-Based Tetracarboxylate.
;
_journal_issue                   4
_journal_name_full               'Inorganic chemistry'
_journal_page_first              1744
_journal_page_last               1755
_journal_paper_doi               10.1021/ic502686b
_journal_volume                  54
_journal_year                    2015
_chemical_formula_moiety         'C170 H197 N Na3 O35 Zn2'
_chemical_formula_sum            'C170 H197 N Na3 O35 Zn2'
_chemical_formula_weight         3014.00
_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                102.226(4)
_cell_angle_beta                 108.386(4)
_cell_angle_gamma                102.380(4)
_cell_formula_units_Z            2
_cell_length_a                   18.4227(8)
_cell_length_b                   25.1622(10)
_cell_length_c                   26.4861(12)
_cell_measurement_reflns_used    4696
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.1090
_cell_measurement_theta_min      2.9257
_cell_volume                     10850.8(9)
_computing_cell_refinement       CrysAlis
_computing_data_collection       'CrysAlis (Oxford Diffraction, 2006)'
_computing_data_reduction        CrysAlis
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXL-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 10.2375
_diffrn_measured_fraction_theta_full 0.976
_diffrn_measured_fraction_theta_max 0.976
_diffrn_measurement_device_type  'Oxford Diffraction Gemini R Ultra'
_diffrn_measurement_method       'ω scan'
_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  0.1393
_diffrn_reflns_av_sigmaI/netI    0.3214
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            66374
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         2.93
_exptl_absorpt_coefficient_mu    0.282
_exptl_absorpt_correction_T_max  0.9510
_exptl_absorpt_correction_T_min  0.9277
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    0.922
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3194
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.749
_refine_diff_density_min         -0.436
_refine_diff_density_rms         0.066
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.191
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1981
_refine_ls_number_reflns         37419
_refine_ls_number_restraints     331
_refine_ls_restrained_S_all      1.253
_refine_ls_R_factor_all          0.3473
_refine_ls_R_factor_gt           0.1208
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0400P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2378
_refine_ls_wR_factor_ref         0.2997
_reflns_number_gt                10022
_reflns_number_total             37419
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            ic502686b_si_002.cif
_cod_data_source_block           compound-3
_cod_depositor_comments
'Adding full bibliography for 4342076--4342078.cif.'
_cod_original_cell_volume        10850.8(8)
_cod_database_code               4342078
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
_atom_site_refinement_flags
Zn1 Zn 0.55436(6) 0.43670(4) 0.88468(4) 0.0717(4) Uani 1 1 d .
Zn2 Zn -0.23286(6) 0.50272(5) 1.29076(5) 0.0818(4) Uani 1 1 d .
Na1 Na -0.36429(18) 0.50818(14) 1.12591(14) 0.0796(11) Uani 1 1 d .
Na2 Na 0.4080(2) 0.42174(17) 0.76773(17) 0.0208(11) Uani 0.50 1 d P
Na3 Na 0.4085(2) 0.45978(15) 0.99865(16) 0.0939(13) Uani 1 1 d .
Na4 Na -0.2657(4) 0.6200(2) 0.3604(2) 0.077(2) Uani 0.50 1 d P
C1 C -0.2152(5) 0.2381(5) 0.8740(4) 0.081(3) Uani 1 1 d .
C2 C -0.2408(5) 0.1795(4) 0.8596(4) 0.077(3) Uani 1 1 d .
C3 C -0.2015(5) 0.1498(4) 0.8313(4) 0.076(3) Uani 1 1 d .
H3 H -0.2162 0.1103 0.8232 0.091 Uiso 1 1 calc R
C4 C -0.1422(5) 0.1757(5) 0.8145(4) 0.079(3) Uani 1 1 d .
C5 C -0.1190(5) 0.2331(5) 0.8295(4) 0.086(3) Uani 1 1 d .
C6 C -0.1534(5) 0.2665(4) 0.8601(5) 0.093(3) Uani 1 1 d .
H6 H -0.1354 0.3061 0.8705 0.111 Uiso 1 1 calc R
C7 C -0.1034(5) 0.1425(4) 0.7821(4) 0.078(3) Uani 1 1 d D
H7 H -0.0927 0.1639 0.7570 0.093 Uiso 1 1 calc R
C8 C -0.0208(6) 0.1413(4) 0.8193(5) 0.074(3) Uani 1 1 d .
C9 C 0.0367(7) 0.1394(4) 0.7970(5) 0.088(3) Uani 1 1 d .
C10 C 0.1133(6) 0.1388(4) 0.8287(5) 0.084(3) Uani 1 1 d .
H10 H 0.1506 0.1352 0.8124 0.101 Uiso 1 1 calc R
C11 C 0.1323(6) 0.1435(4) 0.8841(5) 0.075(3) Uani 1 1 d .
C12 C 0.0768(5) 0.1475(4) 0.9094(4) 0.070(3) Uani 1 1 d .
C13 C -0.0014(5) 0.1471(4) 0.8725(5) 0.070(3) Uani 1 1 d .
H13 H -0.0396 0.1512 0.8878 0.084 Uiso 1 1 calc R
C14 C 0.1005(5) 0.1531(4) 0.9714(4) 0.071(3) Uani 1 1 d .
H14 H 0.1575 0.1751 0.9895 0.086 Uiso 1 1 calc R
C15 C 0.0563(5) 0.1873(5) 0.9982(4) 0.074(3) Uani 1 1 d .
C16 C 0.0745(5) 0.2457(4) 1.0058(4) 0.074(3) Uani 1 1 d .
C17 C 0.0393(5) 0.2790(4) 1.0315(4) 0.082(3) Uani 1 1 d .
H17 H 0.0527 0.3179 1.0359 0.098 Uiso 1 1 calc R
C18 C -0.0160(5) 0.2546(5) 1.0507(4) 0.074(3) Uani 1 1 d .
C19 C -0.0379(5) 0.1972(5) 1.0446(4) 0.083(3) Uani 1 1 d .
C20 C -0.0010(5) 0.1646(4) 1.0173(4) 0.078(3) Uani 1 1 d .
H20 H -0.0159 0.1254 1.0118 0.094 Uiso 1 1 calc R
C21 C -0.1035(6) 0.1710(4) 1.0649(5) 0.095(3) Uani 1 1 d D
H21 H -0.0918 0.1969 1.1017 0.113 Uiso 1 1 calc R
C22 C -0.1863(6) 0.1692(4) 1.0277(6) 0.085(3) Uani 1 1 d .
C23 C -0.2439(7) 0.1780(4) 1.0505(5) 0.091(3) Uani 1 1 d U
C24 C -0.3206(5) 0.1756(4) 1.0149(6) 0.098(4) Uani 1 1 d U
H24 H -0.3581 0.1815 1.0304 0.117 Uiso 1 1 calc RD
C25 C -0.3413(7) 0.1654(4) 0.9604(6) 0.084(3) Uani 1 1 d .
C26 C -0.2846(6) 0.1589(4) 0.9356(5) 0.071(3) Uani 1 1 d .
C27 C -0.2121(6) 0.1607(4) 0.9685(6) 0.084(3) Uani 1 1 d .
H27 H -0.1752 0.1561 0.9520 0.100 Uiso 1 1 calc R
C28 C -0.3101(5) 0.1499(4) 0.8738(5) 0.089(3) Uani 1 1 d .
H28 H -0.3512 0.1690 0.8637 0.106 Uiso 1 1 calc R
C29 C -0.2275(7) 0.3299(5) 0.9189(6) 0.140(5) Uani 1 1 d .
H29A H -0.2587 0.3436 0.9386 0.210 Uiso 1 1 calc R
H29B H -0.2360 0.3422 0.8862 0.210 Uiso 1 1 calc R
H29C H -0.1716 0.3447 0.9427 0.210 Uiso 1 1 calc R
C30 C -0.0347(8) 0.3216(6) 0.8308(6) 0.153(5) Uani 1 1 d U
H30A H -0.0084 0.3386 0.8709 0.184 Uiso 1 1 calc R
H30B H -0.0805 0.3351 0.8171 0.184 Uiso 1 1 calc R
C31 C 0.0264(9) 0.3347(7) 0.8001(7) 0.148(5) Uani 1 1 d U
C32 C 0.0208(9) 0.3700(7) 0.7680(7) 0.170(6) Uani 1 1 d U
H32 H -0.0251 0.3814 0.7570 0.204 Uiso 1 1 calc R
C33 C 0.0823(8) 0.3889(7) 0.7517(7) 0.183(8) Uani 1 1 d U
H33 H 0.0763 0.4104 0.7269 0.219 Uiso 1 1 calc R
C34 C 0.1554(8) 0.3760(5) 0.7722(6) 0.103(4) Uani 1 1 d .
C35 C 0.1615(7) 0.3436(7) 0.8043(5) 0.130(5) Uani 1 1 d U
H35 H 0.2105 0.3374 0.8201 0.156 Uiso 1 1 calc R
C36 C 0.0921(8) 0.3163(6) 0.8163(6) 0.156(6) Uani 1 1 d U
H36 H 0.0932 0.2881 0.8339 0.188 Uiso 1 1 calc R
C37 C 0.2265(7) 0.4029(4) 0.7592(6) 0.080(3) Uani 1 1 d .
C38 C 0.0600(10) 0.1167(9) 0.7096(7) 0.234(8) Uani 1 1 d U
H38A H 0.0345 0.1154 0.6715 0.351 Uiso 1 1 calc R
H38B H 0.0638 0.0795 0.7111 0.351 Uiso 1 1 calc R
H38C H 0.1129 0.1435 0.7254 0.351 Uiso 1 1 calc R
C39 C 0.2697(5) 0.1498(4) 0.8966(4) 0.087(3) Uani 1 1 d .
H39A H 0.2498 0.1217 0.8601 0.105 Uiso 1 1 calc R
H39B H 0.3142 0.1412 0.9211 0.105 Uiso 1 1 calc R
C40 C 0.2990(5) 0.2080(4) 0.8915(4) 0.074(3) Uani 1 1 d .
C41 C 0.2813(5) 0.2557(4) 0.9153(4) 0.074(3) Uani 1 1 d .
H41 H 0.2452 0.2519 0.9332 0.089 Uiso 1 1 calc R
C42 C 0.3170(5) 0.3088(4) 0.9127(4) 0.073(3) Uani 1 1 d .
H42 H 0.3082 0.3408 0.9319 0.088 Uiso 1 1 calc R
C43 C 0.3652(5) 0.3157(4) 0.8823(4) 0.062(2) Uani 1 1 d .
C44 C 0.3795(5) 0.2676(4) 0.8561(4) 0.081(3) Uani 1 1 d .
H44 H 0.4125 0.2714 0.8360 0.097 Uiso 1 1 calc R
C45 C 0.3464(5) 0.2140(4) 0.8588(4) 0.079(3) Uani 1 1 d .
H45 H 0.3552 0.1822 0.8393 0.094 Uiso 1 1 calc R
C46 C 0.4085(6) 0.3739(5) 0.8829(4) 0.076(3) Uani 1 1 d .
C47 C 0.1380(7) 0.3193(5) 0.9766(6) 0.135(5) Uani 1 1 d .
H47A H 0.1805 0.3290 0.9634 0.202 Uiso 1 1 calc R
H47B H 0.1489 0.3480 1.0107 0.202 Uiso 1 1 calc R
H47C H 0.0881 0.3173 0.9490 0.202 Uiso 1 1 calc R
C48 C -0.0924(10) 0.3166(7) 1.0521(7) 0.161(5) Uani 1 1 d U
H48A H -0.1360 0.2912 1.0182 0.193 Uiso 1 1 calc R
H48B H -0.0571 0.3429 1.0417 0.193 Uiso 1 1 calc R
C49 C -0.1260(12) 0.3497(7) 1.0892(8) 0.147(5) Uani 1 1 d U
C50 C -0.0789(8) 0.3882(8) 1.1420(7) 0.171(7) Uani 1 1 d U
H50 H -0.0236 0.3946 1.1556 0.205 Uiso 1 1 calc R
C51 C -0.1122(7) 0.4168(7) 1.1744(5) 0.153(6) Uani 1 1 d .
H51 H -0.0799 0.4402 1.2105 0.184 Uiso 1 1 calc R
C52 C -0.1938(5) 0.4108(4) 1.1536(4) 0.072(3) Uani 1 1 d .
C53 C -0.2352(7) 0.3751(5) 1.1037(5) 0.115(4) Uani 1 1 d U
H53 H -0.2897 0.3708 1.0881 0.137 Uiso 1 1 calc R
C54 C -0.2020(9) 0.3428(5) 1.0723(6) 0.129(5) Uani 1 1 d U
H54 H -0.2358 0.3157 1.0383 0.155 Uiso 1 1 calc R
C55 C -0.2307(7) 0.4442(4) 1.1862(5) 0.073(3) Uani 1 1 d .
C56 C -0.2684(9) 0.2091(9) 1.1355(7) 0.234(10) Uani 1 1 d .
H56A H -0.2445 0.2148 1.1749 0.352 Uiso 1 1 calc R
H56B H -0.3206 0.1814 1.1204 0.352 Uiso 1 1 calc R
H56C H -0.2736 0.2445 1.1292 0.352 Uiso 1 1 calc R
C57 C -0.4704(5) 0.1790(4) 0.9499(5) 0.102(4) Uani 1 1 d .
H57A H -0.4662 0.1670 0.9829 0.122 Uiso 1 1 calc RD
H57B H -0.5252 0.1612 0.9232 0.122 Uiso 1 1 calc R
C58 C -0.4539(5) 0.2412(4) 0.9652(5) 0.085(3) Uani 1 1 d .
C59 C -0.4174(5) 0.2740(4) 0.9387(4) 0.084(3) Uani 1 1 d .
H59 H -0.3984 0.2573 0.9127 0.101 Uiso 1 1 calc R
C60 C -0.4097(5) 0.3314(4) 0.9512(4) 0.078(3) Uani 1 1 d .
H60 H -0.3833 0.3529 0.9341 0.093 Uiso 1 1 calc R
C61 C -0.4391(5) 0.3589(4) 0.9880(3) 0.059(2) Uani 1 1 d .
C62 C -0.4729(5) 0.3263(5) 1.0144(4) 0.080(3) Uani 1 1 d .
H62 H -0.4900 0.3433 1.0414 0.096 Uiso 1 1 calc R
C63 C -0.4825(5) 0.2683(5) 1.0020(5) 0.095(4) Uani 1 1 d .
H63 H -0.5091 0.2470 1.0192 0.115 Uiso 1 1 calc R
C64 C -0.4333(5) 0.4181(5) 0.9960(4) 0.075(3) Uani 1 1 d .
C65 C -0.1571(6) 0.0840(4) 0.7449(5) 0.113(4) Uani 1 1 d DU
H65A H -0.1743 0.0625 0.7677 0.135 Uiso 1 1 calc R
H65B H -0.1261 0.0644 0.7286 0.135 Uiso 1 1 calc R
C66 C -0.2304(8) 0.0834(7) 0.6986(6) 0.191(6) Uani 1 1 d DU
H66A H -0.2654 0.0443 0.6817 0.229 Uiso 1 1 calc R
H66B H -0.2589 0.1054 0.7151 0.229 Uiso 1 1 calc R
C67 C -0.2174(11) 0.1057(8) 0.6532(7) 0.224(7) Uani 1 1 d DU
H67A H -0.1845 0.0873 0.6380 0.269 Uiso 1 1 calc R
H67B H -0.1909 0.1466 0.6673 0.269 Uiso 1 1 calc R
C68 C -0.2997(11) 0.0923(12) 0.6093(10) 0.283(8) Uani 1 1 d DU
C69 C -0.2960(19) 0.1025(19) 0.5560(10) 0.295(8) Uani 0.60 1 d PDU
C69' C -0.356(5) 0.122(4) 0.609(4) 0.369(14) Uiso 0.40 1 d PU
C70 C 0.0941(5) 0.0948(4) 0.9801(5) 0.087(3) Uani 1 1 d .
H70A H 0.1167 0.0739 0.9571 0.105 Uiso 1 1 calc R
H70B H 0.0379 0.0736 0.9680 0.105 Uiso 1 1 calc R
C71 C 0.1380(6) 0.0983(5) 1.0420(5) 0.100(3) Uani 1 1 d .
H71A H 0.1948 0.1177 1.0533 0.120 Uiso 1 1 calc R
H71B H 0.1176 0.1212 1.0652 0.120 Uiso 1 1 calc R
C72 C 0.1283(7) 0.0398(5) 1.0525(6) 0.115(4) Uani 1 1 d U
H72A H 0.0725 0.0222 1.0459 0.138 Uiso 1 1 calc R
H72B H 0.1431 0.0151 1.0265 0.138 Uiso 1 1 calc R
C73 C 0.1781(9) 0.0452(6) 1.1092(6) 0.147(5) Uani 1 1 d U
H73A H 0.1679 0.0736 1.1349 0.177 Uiso 1 1 calc R
H73B H 0.2341 0.0587 1.1142 0.177 Uiso 1 1 calc R
C74 C 0.1626(11) -0.0120(8) 1.1239(10) 0.264(11) Uani 1 1 d .
H74A H 0.1958 -0.0057 1.1620 0.396 Uiso 1 1 calc R
H74B H 0.1752 -0.0398 1.0998 0.396 Uiso 1 1 calc R
H74C H 0.1072 -0.0257 1.1187 0.396 Uiso 1 1 calc R
C75 C -0.1028(6) 0.1133(5) 1.0729(5) 0.116(4) Uani 1 1 d DU
H75A H -0.1513 0.0967 1.0784 0.140 Uiso 1 1 calc R
H75B H -0.1035 0.0885 1.0393 0.140 Uiso 1 1 calc R
C76 C -0.0312(7) 0.1158(7) 1.1217(6) 0.177(6) Uani 1 1 d DU
H76A H 0.0169 0.1256 1.1135 0.213 Uiso 1 1 calc R
H76B H -0.0247 0.1454 1.1544 0.213 Uiso 1 1 calc R
C77 C -0.0414(14) 0.0597(8) 1.1336(9) 0.222(7) Uani 1 1 d DU
C78 C 0.0159(13) 0.0663(9) 1.1904(10) 0.234(8) Uani 0.80 1 d PDU
C78' C -0.117(3) 0.055(3) 1.145(4) 0.18(3) Uiso 0.20 1 d PD
C79' C -0.110(4) -0.004(3) 1.130(3) 0.40(3) Uiso 0.50 1 d PD
C79 C 0.003(2) 0.0131(14) 1.2077(12) 0.226(15) Uani 0.50 1 d PDU
C80 C -0.3506(6) 0.0862(4) 0.8402(5) 0.098(4) Uani 1 1 d .
H80A H -0.3097 0.0669 0.8451 0.118 Uiso 1 1 calc R
H80B H -0.3878 0.0697 0.8558 0.118 Uiso 1 1 calc R
C81 C -0.3946(6) 0.0745(6) 0.7797(6) 0.129(5) Uani 1 1 d .
H81A H -0.3630 0.1008 0.7671 0.155 Uiso 1 1 calc R
H81B H -0.4443 0.0838 0.7750 0.155 Uiso 1 1 calc R
C82 C -0.4151(10) 0.0162(6) 0.7418(8) 0.172(7) Uani 1 1 d U
H82A H -0.3653 0.0079 0.7439 0.207 Uiso 1 1 calc R
H82B H -0.4433 -0.0106 0.7558 0.207 Uiso 1 1 calc R
C83 C -0.4639(11) 0.0054(8) 0.6827(9) 0.238(11) Uani 1 1 d U
H83A H -0.5156 0.0105 0.6801 0.286 Uiso 1 1 calc R
H83B H -0.4380 0.0340 0.6693 0.286 Uiso 1 1 calc R
C84 C -0.4780(15) -0.0511(9) 0.6455(9) 0.292(13) Uani 1 1 d U
H84A H -0.5101 -0.0538 0.6080 0.438 Uiso 1 1 calc R
H84B H -0.5056 -0.0799 0.6573 0.438 Uiso 1 1 calc R
H84C H -0.4275 -0.0564 0.6467 0.438 Uiso 1 1 calc R
C85 C 0.6980(8) 0.7915(4) 0.7841(5) 0.099(4) Uani 1 1 d U
C86 C 0.6433(7) 0.8017(4) 0.7374(5) 0.095(4) Uani 1 1 d U
C87 C 0.5725(6) 0.8073(4) 0.7384(4) 0.085(3) Uani 1 1 d .
H87 H 0.5357 0.8110 0.7070 0.102 Uiso 1 1 calc R
C88 C 0.5525(7) 0.8077(4) 0.7855(5) 0.086(3) Uani 1 1 d .
C89 C 0.6070(7) 0.8014(4) 0.8306(5) 0.079(3) Uani 1 1 d .
C90 C 0.6789(7) 0.7908(4) 0.8315(4) 0.092(3) Uani 1 1 d .
H90 H 0.7125 0.7836 0.8620 0.110 Uiso 1 1 calc R
C91 C 0.4733(5) 0.8207(4) 0.7862(4) 0.082(3) Uani 1 1 d D
H91 H 0.4656 0.8114 0.8186 0.099 Uiso 1 1 calc R
C92 C 0.3990(5) 0.7832(4) 0.7361(4) 0.072(3) Uani 1 1 d .
C93 C 0.3526(6) 0.7316(4) 0.7373(5) 0.080(3) Uani 1 1 d .
C94 C 0.2833(6) 0.6991(4) 0.6937(5) 0.090(3) Uani 1 1 d .
H94 H 0.2542 0.6653 0.6961 0.108 Uiso 1 1 calc R
C95 C 0.2566(6) 0.7139(5) 0.6488(5) 0.081(3) Uani 1 1 d .
C96 C 0.2932(7) 0.7654(5) 0.6423(5) 0.083(3) Uani 1 1 d .
C97 C 0.3690(7) 0.7987(4) 0.6899(5) 0.091(3) Uani 1 1 d .
H97 H 0.3981 0.8328 0.6879 0.109 Uiso 1 1 calc R
C98 C 0.2577(7) 0.7875(5) 0.5952(4) 0.101(4) Uani 1 1 d D
H98 H 0.1995 0.7749 0.5854 0.121 Uiso 1 1 calc R
C99 C 0.2711(7) 0.7634(5) 0.5432(5) 0.099(3) Uani 1 1 d .
C100 C 0.3487(7) 0.7687(5) 0.5433(5) 0.106(4) Uani 1 1 d .
H100 H 0.3919 0.7855 0.5773 0.128 Uiso 1 1 calc R
C101 C 0.3646(7) 0.7507(5) 0.4966(5) 0.099(4) Uani 1 1 d .
C102 C 0.2991(7) 0.7205(6) 0.4459(5) 0.110(4) Uani 1 1 d .
C103 C 0.2211(8) 0.7143(6) 0.4441(5) 0.130(4) Uani 1 1 d .
H103 H 0.1774 0.6957 0.4107 0.155 Uiso 1 1 calc R
C104 C 0.2089(8) 0.7362(6) 0.4932(5) 0.113(4) Uani 1 1 d .
C105 C 0.4520(7) 0.7626(5) 0.4974(6) 0.127(4) Uani 1 1 d DU
H105 H 0.4486 0.7398 0.4614 0.152 Uiso 1 1 calc R
C106 C 0.5021(7) 0.7428(7) 0.5414(6) 0.100(4) Uani 1 1 d U
C107 C 0.5567(8) 0.7796(5) 0.5925(6) 0.095(4) Uani 1 1 d .
H107 H 0.5585 0.8178 0.5997 0.114 Uiso 1 1 calc R
C108 C 0.6072(8) 0.7658(6) 0.6328(6) 0.103(5) Uani 1 1 d U
C109 C 0.6047(7) 0.7075(7) 0.6218(6) 0.103(4) Uani 1 1 d U
C110 C 0.5510(8) 0.6669(5) 0.5718(6) 0.096(4) Uani 1 1 d .
H110 H 0.5492 0.6287 0.5647 0.116 Uiso 1 1 calc R
C111 C 0.5022(8) 0.6847(7) 0.5345(6) 0.108(5) Uani 1 1 d .
C112 C 0.6711(6) 0.8046(4) 0.6881(5) 0.110(4) Uani 1 1 d DU
H112 H 0.7188 0.7917 0.6945 0.132 Uiso 1 1 calc R
C113 C 0.8160(10) 0.7638(8) 0.8257(8) 0.211(8) Uani 1 1 d U
H11D H 0.8649 0.7622 0.8205 0.316 Uiso 1 1 calc R
H11E H 0.7850 0.7262 0.8216 0.316 Uiso 1 1 calc R
H11C H 0.8285 0.7884 0.8623 0.316 Uiso 1 1 calc R
C114 C 0.6276(6) 0.7862(4) 0.9207(4) 0.083(3) Uani 1 1 d .
H11A H 0.6163 0.7999 0.9536 0.099 Uiso 1 1 calc R
H11B H 0.6848 0.8021 0.9303 0.099 Uiso 1 1 calc R
C115 C 0.6069(6) 0.7219(4) 0.9055(4) 0.065(3) Uani 1 1 d .
C116 C 0.5331(5) 0.6885(4) 0.8652(4) 0.077(3) Uani 1 1 d .
H116 H 0.4982 0.7053 0.8454 0.093 Uiso 1 1 calc R
C117 C 0.5114(5) 0.6296(4) 0.8547(4) 0.073(3) Uani 1 1 d .
H117 H 0.4619 0.6075 0.8271 0.088 Uiso 1 1 calc R
C118 C 0.5594(5) 0.6031(4) 0.8829(4) 0.063(2) Uani 1 1 d .
C119 C 0.6352(5) 0.6386(5) 0.9230(4) 0.076(3) Uani 1 1 d .
H119 H 0.6710 0.6223 0.9427 0.092 Uiso 1 1 calc R
C120 C 0.6566(6) 0.6964(4) 0.9333(4) 0.076(3) Uani 1 1 d .
H120 H 0.7066 0.7188 0.9601 0.091 Uiso 1 1 calc R
C121 C 0.5324(6) 0.5417(4) 0.8737(4) 0.061(3) Uani 1 1 d .
C122 C 0.3303(5) 0.6712(4) 0.7938(4) 0.100(4) Uani 1 1 d .
H12A H 0.3567 0.6659 0.8291 0.150 Uiso 1 1 calc R
H12B H 0.3186 0.6372 0.7643 0.150 Uiso 1 1 calc R
H12C H 0.2812 0.6791 0.7928 0.150 Uiso 1 1 calc R
C123 C 0.1392(7) 0.6313(6) 0.6060(5) 0.135(5) Uani 1 1 d .
H12D H 0.1699 0.6044 0.6098 0.162 Uiso 1 1 calc R
H12E H 0.1250 0.6396 0.6384 0.162 Uiso 1 1 calc R
C124 C 0.0672(9) 0.6061(7) 0.5562(7) 0.134(5) Uani 1 1 d U
C125 C -0.0028(9) 0.6203(7) 0.5528(6) 0.170(7) Uani 1 1 d U
H125 H -0.0024 0.6461 0.5838 0.204 Uiso 1 1 calc R
C126 C -0.0698(7) 0.5992(7) 0.5079(5) 0.161(6) Uani 1 1 d D
H126 H -0.1165 0.6065 0.5097 0.193 Uiso 1 1 calc R
C127 C -0.0712(6) 0.5655(5) 0.4570(4) 0.106(4) Uani 1 1 d D
C128 C -0.0013(6) 0.5493(6) 0.4578(6) 0.142(5) Uani 1 1 d DU
H128 H 0.0016 0.5256 0.4268 0.170 Uiso 1 1 calc R
C129 C 0.0628(8) 0.5725(6) 0.5100(6) 0.140(5) Uani 1 1 d U
H129 H 0.1089 0.5622 0.5118 0.168 Uiso 1 1 calc R
C130 C -0.1465(5) 0.5459(4) 0.4037(4) 0.122(4) Uani 1 1 d DU
C131 C 0.0621(7) 0.6924(6) 0.4424(6) 0.158(6) Uani 1 1 d .
H13A H 0.0136 0.6935 0.4483 0.237 Uiso 1 1 calc R
H13B H 0.0658 0.6542 0.4368 0.237 Uiso 1 1 calc R
H13C H 0.0616 0.7039 0.4100 0.237 Uiso 1 1 calc R
C132 C 0.2542(7) 0.6634(7) 0.3521(5) 0.154(6) Uani 1 1 d U
H13D H 0.2111 0.6781 0.3352 0.185 Uiso 1 1 calc R
H13E H 0.2325 0.6316 0.3638 0.185 Uiso 1 1 calc R
C133 C 0.2923(8) 0.6439(6) 0.3104(5) 0.112(4) Uani 1 1 d .
C134 C 0.3664(10) 0.6383(6) 0.3284(5) 0.134(5) Uani 1 1 d .
H134 H 0.3948 0.6470 0.3665 0.161 Uiso 1 1 calc R
C135 C 0.4010(7) 0.6201(6) 0.2915(5) 0.131(5) Uani 1 1 d .
H135 H 0.4516 0.6154 0.3047 0.157 Uiso 1 1 calc R
C136 C 0.3599(6) 0.6086(5) 0.2348(5) 0.090(3) Uani 1 1 d .
C137 C 0.2858(8) 0.6127(6) 0.2177(5) 0.129(5) Uani 1 1 d .
H137 H 0.2553 0.6024 0.1797 0.154 Uiso 1 1 calc R
C138 C 0.2535(7) 0.6321(6) 0.2563(6) 0.138(5) Uani 1 1 d .
H138 H 0.2029 0.6369 0.2435 0.166 Uiso 1 1 calc R
C139 C 0.4009(8) 0.5907(5) 0.1952(6) 0.088(3) Uani 1 1 d .
C140 C 0.4530(9) 0.5946(6) 0.4650(6) 0.192(8) Uani 1 1 d .
H14H H 0.4143 0.5739 0.4280 0.289 Uiso 1 1 calc R
H14I H 0.4425 0.5754 0.4908 0.289 Uiso 1 1 calc R
H14C H 0.5059 0.5965 0.4658 0.289 Uiso 1 1 calc R
C141 C 0.6508(6) 0.6329(6) 0.6574(5) 0.114(4) Uani 1 1 d .
H14F H 0.6989 0.6303 0.6841 0.136 Uiso 1 1 calc R
H14G H 0.6458 0.6129 0.6203 0.136 Uiso 1 1 calc R
C142 C 0.5789(6) 0.6054(6) 0.6682(5) 0.097(4) Uani 1 1 d .
C143 C 0.5438(6) 0.6337(5) 0.6972(4) 0.101(4) Uani 1 1 d .
H143 H 0.5639 0.6733 0.7112 0.121 Uiso 1 1 calc R
C144 C 0.4780(6) 0.6056(5) 0.7069(4) 0.090(3) Uani 1 1 d .
H144 H 0.4514 0.6264 0.7239 0.109 Uiso 1 1 calc R
C145 C 0.4524(5) 0.5462(4) 0.6911(4) 0.073(3) Uani 1 1 d .
C146 C 0.4872(6) 0.5175(4) 0.6623(5) 0.101(4) Uani 1 1 d .
H146 H 0.4687 0.4778 0.6499 0.122 Uiso 1 1 calc R
C147 C 0.5510(7) 0.5460(6) 0.6504(5) 0.115(4) Uani 1 1 d .
H147 H 0.5747 0.5253 0.6306 0.138 Uiso 1 1 calc R
C148 C 0.3815(6) 0.5114(5) 0.7001(4) 0.075(3) Uani 1 1 d .
C149 C 0.4835(6) 0.8839(3) 0.7971(4) 0.091(3) Uani 1 1 d D
H14D H 0.5337 0.9048 0.8283 0.109 Uiso 1 1 calc R
H14E H 0.4870 0.8944 0.7646 0.109 Uiso 1 1 calc R
C150 C 0.4164(8) 0.9015(5) 0.8099(7) 0.168(5) Uani 1 1 d DU
H15A H 0.3656 0.8779 0.7804 0.202 Uiso 1 1 calc R
H15B H 0.4162 0.8944 0.8444 0.202 Uiso 1 1 calc R
C151 C 0.4225(9) 0.9633(5) 0.8154(7) 0.194(5) Uani 1 1 d DU
H15C H 0.4753 0.9873 0.8417 0.232 Uiso 1 1 calc R
H15D H 0.4149 0.9699 0.7795 0.232 Uiso 1 1 calc R
C152 C 0.3599(10) 0.9777(7) 0.8351(8) 0.225(6) Uani 1 1 d DU
H15E H 0.3688 0.9761 0.8728 0.270 Uiso 1 1 calc R
H15F H 0.3059 0.9545 0.8101 0.270 Uiso 1 1 calc R
C153 C 0.3792(12) 1.0375(7) 0.8320(10) 0.290(9) Uani 1 1 d DU
H15K H 0.3401 1.0545 0.8392 0.436 Uiso 1 1 calc R
H15L H 0.3782 1.0370 0.7954 0.436 Uiso 1 1 calc R
H15M H 0.4316 1.0593 0.8593 0.436 Uiso 1 1 calc R
C154 C 0.2822(10) 0.8523(6) 0.6081(7) 0.172(5) Uani 1 1 d DU
H15G H 0.2799 0.8692 0.6439 0.206 Uiso 1 1 calc R
H15H H 0.3372 0.8659 0.6112 0.206 Uiso 1 1 calc R
C155 C 0.2291(11) 0.8719(9) 0.5641(7) 0.224(6) Uani 1 1 d DU
C157 C 0.268(3) 0.9516(14) 0.6512(13) 0.280(11) Uani 0.50 1 d PDU
C257 C 0.232(8) 0.989(3) 0.574(6) 0.44(7) Uiso 0.30 1 d PD
C357 C 0.164(5) 1.004(4) 0.517(4) 0.22(4) Uiso 0.20 1 d P
C158 C 0.2492(16) 0.9729(12) 0.7019(12) 0.320(10) Uani 1 1 d DU
C159 C 0.4864(8) 0.8244(5) 0.5028(6) 0.172(5) Uani 1 1 d DU
C160 C 0.5596(8) 0.8372(7) 0.4881(7) 0.211(6) Uani 1 1 d DU
H16A H 0.6064 0.8407 0.5199 0.254 Uiso 1 1 calc R
H16B H 0.5539 0.8055 0.4575 0.254 Uiso 1 1 calc R
C161 C 0.5728(14) 0.8912(10) 0.4717(12) 0.334(12) Uani 1 1 d DU
H16C H 0.5967 0.9241 0.5048 0.401 Uiso 1 1 calc R
H16D H 0.6093 0.8917 0.4521 0.401 Uiso 1 1 calc R
C162 C 0.494(2) 0.8938(17) 0.4347(16) 0.382(14) Uani 1 1 d DU
C263 C 0.4483(17) 0.838(2) 0.4206(11) 0.31(2) Uiso 0.50 1 d PD
C163 C 0.496(4) 0.9216(13) 0.491(2) 0.40(2) Uani 0.50 1 d PDU
C164 C 0.6947(8) 0.8660(5) 0.6884(5) 0.167(6) Uani 1 1 d DU
H16E H 0.6468 0.8775 0.6757 0.200 Uiso 1 1 calc R
H16F H 0.7274 0.8901 0.7262 0.200 Uiso 1 1 calc R
C165 C 0.7407(10) 0.8743(7) 0.6516(6) 0.199(6) Uani 1 1 d DU
C166 C 0.8179(15) 0.9166(11) 0.6627(13) 0.236(11) Uani 0.70 1 d PDU
C266 C 0.766(2) 0.9268(15) 0.6485(14) 0.085(10) Uiso 0.30 1 d P
C167 C 0.858(3) 0.898(2) 0.624(2) 0.11(2) Uani 0.20 1 d PDU
C267 C 0.8419(16) 0.9307(14) 0.6128(12) 0.244(12) Uiso 0.80 1 d P
C168 C 0.832(7) 0.834(2) 0.599(4) 0.29(5) Uani 0.20 1 d PDU
C268 C 0.943(3) 0.908(2) 0.649(2) 0.41(2) Uiso 0.80 1 d P
O1 O -0.2525(3) 0.2664(3) 0.9023(3) 0.098(2) Uani 1 1 d .
O1W O 0.2802(10) 0.4157(7) 0.9799(9) 0.184(7) Uani 0.50 1 d PDU
O1W' O 0.1821(7) 0.4928(6) 0.9613(6) 0.122(5) Uiso 0.50 1 d PD
O2 O -0.0578(4) 0.2603(3) 0.8154(3) 0.115(3) Uani 1 1 d U
O3 O 0.2056(4) 0.4198(3) 0.7133(3) 0.106(2) Uani 1 1 d .
O4 O 0.2920(4) 0.4126(3) 0.7904(3) 0.096(2) Uani 1 1 d .
O5 O 0.0139(4) 0.1339(4) 0.7406(4) 0.121(3) Uani 1 1 d .
O3W' O 0.6246(17) 0.9721(11) 0.9842(11) 0.078(8) Uani 0.20 1 d PU
O3W O 0.5874(13) 0.8943(10) 1.0011(11) 0.126(10) Uani 0.30 1 d P
O6 O 0.2061(4) 0.1457(3) 0.9186(3) 0.091(2) Uani 1 1 d .
O4W' O 0.7608(13) 0.5714(10) 0.8342(10) 0.062(7) Uani 0.20 1 d PU
O4W O 0.8423(17) 0.5651(13) 0.9029(13) 0.161(11) Uani 0.30 1 d PU
O7 O 0.4512(3) 0.3757(2) 0.8539(3) 0.086(2) Uani 1 1 d .
O8 O 0.4026(4) 0.4165(3) 0.9131(3) 0.087(2) Uani 1 1 d .
O9 O 0.1329(3) 0.2675(3) 0.9861(3) 0.084(2) Uani 1 1 d .
O10 O -0.0515(4) 0.2862(3) 1.0792(3) 0.101(2) Uani 1 1 d .
O11 O -0.2888(4) 0.4579(3) 1.1642(3) 0.109(3) Uani 1 1 d .
O12 O -0.1953(4) 0.4583(3) 1.2398(3) 0.093(2) Uani 1 1 d .
O13 O -0.2168(4) 0.1883(4) 1.1078(4) 0.129(3) Uani 1 1 d .
O14 O -0.4169(4) 0.1585(3) 0.9259(4) 0.110(3) Uani 1 1 d .
O15 O -0.4533(3) 0.4450(3) 1.0342(3) 0.0847(19) Uani 1 1 d .
O16 O -0.4080(3) 0.4450(2) 0.9662(3) 0.0726(17) Uani 1 1 d .
O17 O 0.7702(5) 0.7860(4) 0.7841(4) 0.137(3) Uani 1 1 d U
O18 O 0.5859(4) 0.8070(3) 0.8782(3) 0.086(2) Uani 1 1 d .
O19 O 0.5820(4) 0.5199(3) 0.9035(3) 0.0782(19) Uani 1 1 d .
O20 O 0.4672(3) 0.5111(2) 0.8385(3) 0.0757(18) Uani 1 1 d .
O21 O 0.3813(4) 0.7177(3) 0.7868(3) 0.091(2) Uani 1 1 d .
O22 O 0.1878(5) 0.6833(4) 0.6034(3) 0.115(3) Uani 1 1 d .
O23 O -0.2059(5) 0.5712(4) 0.4041(3) 0.146(3) Uani 1 1 d DU
O24 O -0.1418(4) 0.5086(3) 0.3590(3) 0.129(3) Uani 1 1 d D
O25 O 0.1297(6) 0.7303(5) 0.4900(4) 0.154(4) Uani 1 1 d .
O26 O 0.3167(4) 0.7073(4) 0.3991(3) 0.132(3) Uani 1 1 d U
O27 O 0.3667(4) 0.5893(3) 0.1445(3) 0.089(2) Uani 1 1 d .
O28 O 0.4633(4) 0.5786(3) 0.2123(3) 0.100(2) Uani 1 1 d .
O29 O 0.4473(5) 0.6495(4) 0.4798(4) 0.135(3) Uani 1 1 d .
O30 O 0.6576(5) 0.6923(4) 0.6618(4) 0.109(3) Uani 1 1 d .
O31 O 0.3358(4) 0.5409(3) 0.7129(3) 0.093(2) Uani 1 1 d .
O32 O 0.3694(4) 0.4615(3) 0.6952(3) 0.089(2) Uani 1 1 d .
N1 N 0.2799(13) 0.5874(9) 0.5063(11) 0.261(9) Uani 1 1 d U
C169 C 0.3247(15) 0.6023(16) 0.5611(14) 0.35(2) Uani 1 1 d .
C170 C 0.2313(10) 0.5642(10) 0.4494(9) 0.230(10) Uani 1 1 d .
C156 C 0.235(3) 0.9344(13) 0.5886(14) 0.266(10) Uani 0.50 1 d PDU
C256 C 0.2930(19) 0.9296(10) 0.5810(15) 0.238(8) Uiso 0.50 1 d PDU
O2W O -0.3440(6) 0.6691(4) 0.3027(4) 0.198(5) Uani 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'
Zn Zn 0.2839 1.4301 '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
O19 Zn1 O7 132.7(3) . .
O19 Zn1 O16 88.5(3) . 1_655
O7 Zn1 O16 102.9(3) . 1_655
O19 Zn1 O27 109.1(3) . 2_666
O7 Zn1 O27 110.3(3) . 2_666
O16 Zn1 O27 108.2(3) 1_655 2_666
O19 Zn1 O28 95.1(3) . 2_666
O7 Zn1 O28 83.8(2) . 2_666
O16 Zn1 O28 167.0(3) 1_655 2_666
O27 Zn1 O28 58.8(3) 2_666 2_666
O19 Zn1 C139 103.5(3) . 2_666
O7 Zn1 C139 97.6(3) . 2_666
O16 Zn1 C139 138.4(4) 1_655 2_666
O27 Zn1 C139 30.2(3) 2_666 2_666
O28 Zn1 C139 28.6(3) 2_666 2_666
O19 Zn1 Na2 91.1(2) . .
O7 Zn1 Na2 56.5(2) . .
O16 Zn1 Na2 149.18(18) 1_655 .
O27 Zn1 Na2 101.0(2) 2_666 .
O28 Zn1 Na2 43.48(19) 2_666 .
C139 Zn1 Na2 71.4(4) 2_666 .
O19 Zn1 Na3 46.8(2) . 2_667
O7 Zn1 Na3 117.46(19) . 2_667
O16 Zn1 Na3 44.29(18) 1_655 2_667
O27 Zn1 Na3 128.5(2) 2_666 2_667
O28 Zn1 Na3 141.8(2) 2_666 2_667
C139 Zn1 Na3 144.0(2) 2_666 2_667
Na2 Zn1 Na3 120.37(11) . 2_667
O31 Zn2 O3 125.8(3) 2_567 2_567
O31 Zn2 O12 111.2(3) 2_567 .
O3 Zn2 O12 106.6(3) 2_567 .
O31 Zn2 O24 113.0(3) 2_567 1_556
O3 Zn2 O24 101.2(3) 2_567 1_556
O12 Zn2 O24 94.1(3) . 1_556
O31 Zn2 Na4 86.8(3) 2_567 1_556
O3 Zn2 Na4 50.9(3) 2_567 1_556
O12 Zn2 Na4 157.4(2) . 1_556
O24 Zn2 Na4 90.9(2) 1_556 1_556
O11 Na1 O20 99.7(3) . 2_567
O11 Na1 O4 88.8(3) . 2_567
O20 Na1 O4 87.0(2) 2_567 2_567
O11 Na1 O15 105.3(3) . .
O20 Na1 O15 91.3(2) 2_567 .
O4 Na1 O15 165.9(3) 2_567 .
O11 Na1 O8 160.4(3) . 2_567
O20 Na1 O8 97.3(2) 2_567 2_567
O4 Na1 O8 82.4(3) 2_567 2_567
O15 Na1 O8 83.9(2) . 2_567
O11 Na1 C121 106.2(3) . 2_567
O20 Na1 C121 21.19(19) 2_567 2_567
O4 Na1 C121 107.0(2) 2_567 2_567
O15 Na1 C121 70.1(2) . 2_567
O8 Na1 C121 93.1(3) 2_567 2_567
O11 Na1 Na2 104.0(2) . 2_567
O20 Na1 Na2 44.07(16) 2_567 2_567
O4 Na1 Na2 44.13(17) 2_567 2_567
O15 Na1 Na2 129.9(2) . 2_567
O8 Na1 Na2 81.7(2) 2_567 2_567
C121 Na1 Na2 63.07(17) 2_567 2_567
O11 Na1 Na3 133.6(2) . 2_567
O20 Na1 Na3 118.7(2) 2_567 2_567
O4 Na1 Na3 116.5(2) 2_567 2_567
O15 Na1 Na3 52.77(17) . 2_567
O8 Na1 Na3 40.66(18) 2_567 2_567
C121 Na1 Na3 102.5(2) 2_567 2_567
Na2 Na1 Na3 121.41(15) 2_567 2_567
O11 Na1 Na3 132.4(2) . 1_455
O20 Na1 Na3 69.11(18) 2_567 1_455
O4 Na1 Na3 134.0(2) 2_567 1_455
O15 Na1 Na3 33.79(17) . 1_455
O8 Na1 Na3 63.48(17) 2_567 1_455
C121 Na1 Na3 49.8(2) 2_567 1_455
Na2 Na1 Na3 98.25(11) 2_567 1_455
Na3 Na1 Na3 53.69(10) 2_567 1_455
O28 Na2 O32 109.7(3) 2_666 .
O28 Na2 O20 83.8(3) 2_666 .
O32 Na2 O20 94.4(3) . .
O28 Na2 O4 151.0(3) 2_666 .
O32 Na2 O4 98.6(3) . .
O20 Na2 O4 87.7(2) . .
O28 Na2 O2W 98.0(3) 2_666 2_566
O32 Na2 O2W 86.2(4) . 2_566
O20 Na2 O2W 177.8(3) . 2_566
O4 Na2 O2W 90.1(3) . 2_566
O28 Na2 O7 71.3(3) 2_666 .
O32 Na2 O7 178.8(3) . .
O20 Na2 O7 85.2(2) . .
O4 Na2 O7 80.4(3) . .
O2W Na2 O7 94.3(3) 2_566 .
O28 Na2 Zn1 47.4(2) 2_666 .
O32 Na2 Zn1 143.7(2) . .
O20 Na2 Zn1 59.82(18) . .
O4 Na2 Zn1 104.9(2) . .
O2W Na2 Zn1 120.6(3) 2_566 .
O7 Na2 Zn1 36.70(12) . .
O28 Na2 Na4 125.4(3) 2_666 2_566
O32 Na2 Na4 43.4(2) . 2_566
O20 Na2 Na4 132.1(3) . 2_566
O4 Na2 Na4 80.0(2) . 2_566
O2W Na2 Na4 47.6(3) 2_566 2_566
O7 Na2 Na4 136.5(2) . 2_566
Zn1 Na2 Na4 167.84(18) . 2_566
O28 Na2 Na1 117.0(2) 2_666 2_567
O32 Na2 Na1 107.3(2) . 2_567
O20 Na2 Na1 44.13(14) . 2_567
O4 Na2 Na1 44.87(18) . 2_567
O2W Na2 Na1 133.7(3) 2_566 2_567
O7 Na2 Na1 71.60(17) . 2_567
Zn1 Na2 Na1 73.02(10) . 2_567
Na4 Na2 Na1 116.71(18) 2_566 2_567
O1W Na3 O8 93.9(6) . .
O1W Na3 O16 97.8(5) . 2_567
O8 Na3 O16 127.6(3) . 2_567
O1W Na3 O19 83.2(6) . 2_667
O8 Na3 O19 163.2(3) . 2_667
O16 Na3 O19 69.2(2) 2_567 2_667
O1W Na3 O15 140.1(5) . 1_655
O8 Na3 O15 85.3(3) . 1_655
O16 Na3 O15 114.2(2) 2_567 1_655
O19 Na3 O15 86.4(3) 2_667 1_655
O1W Na3 O15 121.6(5) . 2_567
O8 Na3 O15 80.5(2) . 2_567
O16 Na3 O15 50.2(2) 2_567 2_567
O19 Na3 O15 115.2(2) 2_667 2_567
O15 Na3 O15 97.6(2) 1_655 2_567
O1W Na3 C64 110.8(5) . 2_567
O8 Na3 C64 104.7(3) . 2_567
O16 Na3 C64 24.5(2) 2_567 2_567
O19 Na3 C64 91.8(3) 2_667 2_567
O15 Na3 C64 107.9(3) 1_655 2_567
O15 Na3 C64 25.66(19) 2_567 2_567
O1W Na3 Zn1 98.8(5) . 2_667
O8 Na3 Zn1 160.3(2) . 2_667
O16 Na3 Zn1 35.81(17) 2_567 2_667
O19 Na3 Zn1 35.24(16) 2_667 2_667
O15 Na3 Zn1 94.32(19) 1_655 2_667
O15 Na3 Zn1 80.08(16) 2_567 2_667
C64 Na3 Zn1 56.7(2) 2_567 2_667
O1W Na3 Na1 92.9(5) . 2_567
O8 Na3 Na1 45.6(2) . 2_567
O16 Na3 Na1 82.8(2) 2_567 2_567
O19 Na3 Na1 150.9(2) 2_667 2_567
O15 Na3 Na1 113.40(19) 1_655 2_567
O15 Na3 Na1 44.11(15) 2_567 2_567
C64 Na3 Na1 62.6(2) 2_567 2_567
Zn1 Na3 Na1 118.41(13) 2_667 2_567
O1W Na3 Na3 166.6(5) . 2_667
O8 Na3 Na3 79.04(18) . 2_667
O16 Na3 Na3 78.08(19) 2_567 2_667
O19 Na3 Na3 106.8(2) 2_667 2_667
O15 Na3 Na3 51.37(16) 1_655 2_667
O15 Na3 Na3 46.26(16) 2_567 2_667
C64 Na3 Na3 60.9(2) 2_567 2_667
Zn1 Na3 Na3 85.36(12) 2_667 2_667
Na1 Na3 Na3 73.95(14) 2_567 2_667
O1W Na3 Na1 140.7(5) . 1_655
O8 Na3 Na1 114.7(2) . 1_655
O16 Na3 Na1 85.97(18) 2_567 1_655
O19 Na3 Na1 61.48(17) 2_667 1_655
O15 Na3 Na1 31.71(16) 1_655 1_655
O15 Na3 Na1 90.68(16) 2_567 1_655
C64 Na3 Na1 88.4(2) 2_567 1_655
Zn1 Na3 Na1 62.62(8) 2_667 1_655
Na1 Na3 Na1 126.31(10) 2_567 1_655
Na3 Na3 Na1 52.36(12) 2_667 1_655
O23 Na4 O32 89.8(4) . 2_566
O23 Na4 O2W 174.9(4) . .
O32 Na4 O2W 85.2(3) 2_566 .
O23 Na4 O3 82.5(4) . 2_566
O32 Na4 O3 80.0(3) 2_566 2_566
O2W Na4 O3 95.5(4) . 2_566
O23 Na4 Na2 129.3(3) . 2_566
O32 Na4 Na2 44.3(2) 2_566 2_566
O2W Na4 Na2 45.7(2) . 2_566
O3 Na4 Na2 71.1(2) 2_566 2_566
O23 Na4 Zn2 59.3(3) . 1_554
O32 Na4 Zn2 58.4(2) 2_566 1_554
O2W Na4 Zn2 116.7(3) . 1_554
O3 Na4 Zn2 34.54(19) 2_566 1_554
Na2 Na4 Zn2 75.60(13) 2_566 1_554
O1 C1 C2 116.6(8) . .
O1 C1 C6 122.5(9) . .
C2 C1 C6 120.9(10) . .
C1 C2 C3 117.0(8) . .
C1 C2 C28 119.6(9) . .
C3 C2 C28 123.4(9) . .
C4 C3 C2 124.4(9) . .
C4 C3 H3 117.8 . .
C2 C3 H3 117.8 . .
C5 C4 C3 116.5(10) . .
C5 C4 C7 120.3(8) . .
C3 C4 C7 123.2(10) . .
C4 C5 O2 118.0(10) . .
C4 C5 C6 122.7(8) . .
O2 C5 C6 119.2(9) . .
C1 C6 C5 118.4(9) . .
C1 C6 H6 120.8 . .
C5 C6 H6 120.8 . .
C65 C7 C4 114.0(7) . .
C65 C7 C8 112.3(8) . .
C4 C7 C8 112.8(8) . .
C65 C7 H7 105.6 . .
C4 C7 H7 105.6 . .
C8 C7 H7 105.6 . .
C13 C8 C9 118.7(10) . .
C13 C8 C7 122.3(8) . .
C9 C8 C7 118.7(10) . .
C8 C9 O5 116.9(11) . .
C8 C9 C10 121.6(11) . .
O5 C9 C10 121.3(10) . .
C11 C10 C9 119.0(10) . .
C11 C10 H10 120.5 . .
C9 C10 H10 120.5 . .
O6 C11 C10 123.0(9) . .
O6 C11 C12 115.3(11) . .
C10 C11 C12 121.7(10) . .
C11 C12 C13 114.9(10) . .
C11 C12 C14 120.2(9) . .
C13 C12 C14 124.8(8) . .
C8 C13 C12 123.9(9) . .
C8 C13 H13 118.1 . .
C12 C13 H13 118.1 . .
C70 C14 C15 115.0(8) . .
C70 C14 C12 110.0(8) . .
C15 C14 C12 112.3(8) . .
C70 C14 H14 106.3 . .
C15 C14 H14 106.3 . .
C12 C14 H14 106.3 . .
C20 C15 C16 116.0(9) . .
C20 C15 C14 124.2(9) . .
C16 C15 C14 119.8(8) . .
C17 C16 C15 122.5(8) . .
C17 C16 O9 122.8(9) . .
C15 C16 O9 114.7(9) . .
C16 C17 C18 119.3(9) . .
C16 C17 H17 120.4 . .
C18 C17 H17 120.4 . .
C17 C18 C19 122.0(10) . .
C17 C18 O10 122.3(10) . .
C19 C18 O10 115.6(9) . .
C18 C19 C20 116.7(8) . .
C18 C19 C21 120.3(10) . .
C20 C19 C21 123.0(10) . .
C15 C20 C19 123.5(9) . .
C15 C20 H20 118.3 . .
C19 C20 H20 118.3 . .
C75 C21 C22 111.3(8) . .
C75 C21 C19 114.2(9) . .
C22 C21 C19 111.6(9) . .
C75 C21 H21 106.4 . .
C22 C21 H21 106.4 . .
C19 C21 H21 106.4 . .
C23 C22 C27 114.7(10) . .
C23 C22 C21 120.6(12) . .
C27 C22 C21 124.7(9) . .
O13 C23 C24 126.9(10) . .
O13 C23 C22 113.8(11) . .
C24 C23 C22 119.3(12) . .
C25 C24 C23 122.6(11) . .
C25 C24 H24 118.7 . .
C23 C24 H24 118.7 . .
C24 C25 O14 122.2(10) . .
C24 C25 C26 120.4(12) . .
O14 C25 C26 117.3(11) . .
C27 C26 C25 117.7(11) . .
C27 C26 C28 124.1(9) . .
C25 C26 C28 118.3(10) . .
C26 C27 C22 125.2(9) . .
C26 C27 H27 117.4 . .
C22 C27 H27 117.4 . .
C26 C28 C2 111.0(8) . .
C26 C28 C80 111.7(9) . .
C2 C28 C80 114.4(9) . .
C26 C28 H28 106.4 . .
C2 C28 H28 106.4 . .
C80 C28 H28 106.4 . .
O1 C29 H29A 109.5 . .
O1 C29 H29B 109.5 . .
H29A C29 H29B 109.5 . .
O1 C29 H29C 109.5 . .
H29A C29 H29C 109.5 . .
H29B C29 H29C 109.5 . .
O2 C30 C31 101.3(11) . .
O2 C30 H30A 111.5 . .
C31 C30 H30A 111.5 . .
O2 C30 H30B 111.5 . .
C31 C30 H30B 111.5 . .
H30A C30 H30B 109.3 . .
C32 C31 C36 121.6(13) . .
C32 C31 C30 122.0(17) . .
C36 C31 C30 115.4(16) . .
C31 C32 C33 120.1(16) . .
C31 C32 H32 120.0 . .
C33 C32 H32 120.0 . .
C32 C33 C34 120.5(14) . .
C32 C33 H33 119.7 . .
C34 C33 H33 119.7 . .
C35 C34 C33 119.2(11) . .
C35 C34 C37 120.8(14) . .
C33 C34 C37 119.9(13) . .
C34 C35 C36 121.2(13) . .
C34 C35 H35 119.4 . .
C36 C35 H35 119.4 . .
C31 C36 C35 116.5(14) . .
C31 C36 H36 121.8 . .
C35 C36 H36 121.8 . .
O4 C37 O3 125.3(9) . .
O4 C37 C34 120.9(13) . .
O3 C37 C34 113.4(12) . .
O5 C38 H38A 109.5 . .
O5 C38 H38B 109.5 . .
H38A C38 H38B 109.5 . .
O5 C38 H38C 109.5 . .
H38A C38 H38C 109.5 . .
H38B C38 H38C 109.5 . .
O6 C39 C40 111.9(8) . .
O6 C39 H39A 109.2 . .
C40 C39 H39A 109.2 . .
O6 C39 H39B 109.2 . .
C40 C39 H39B 109.2 . .
H39A C39 H39B 107.9 . .
C41 C40 C45 118.2(9) . .
C41 C40 C39 124.5(8) . .
C45 C40 C39 117.3(9) . .
C42 C41 C40 120.4(8) . .
C42 C41 H41 119.8 . .
C40 C41 H41 119.8 . .
C43 C42 C41 121.8(8) . .
C43 C42 H42 119.1 . .
C41 C42 H42 119.1 . .
C42 C43 C44 117.5(8) . .
C42 C43 C46 121.5(9) . .
C44 C43 C46 120.6(8) . .
C45 C44 C43 122.3(8) . .
C45 C44 H44 118.8 . .
C43 C44 H44 118.8 . .
C44 C45 C40 119.4(8) . .
C44 C45 H45 120.3 . .
C40 C45 H45 120.3 . .
O8 C46 O7 124.5(9) . .
O8 C46 C43 118.7(8) . .
O7 C46 C43 116.8(9) . .
O9 C47 H47A 109.5 . .
O9 C47 H47B 109.5 . .
H47A C47 H47B 109.5 . .
O9 C47 H47C 109.5 . .
H47A C47 H47C 109.5 . .
H47B C47 H47C 109.5 . .
O10 C48 C49 109.9(13) . .
O10 C48 H48A 109.7 . .
C49 C48 H48A 109.7 . .
O10 C48 H48B 109.7 . .
C49 C48 H48B 109.7 . .
H48A C48 H48B 108.2 . .
C54 C49 C50 116.6(13) . .
C54 C49 C48 119.7(18) . .
C50 C49 C48 123.7(17) . .
C51 C50 C49 121.6(13) . .
C51 C50 H50 119.2 . .
C49 C50 H50 119.2 . .
C50 C51 C52 120.3(12) . .
C50 C51 H51 119.8 . .
C52 C51 H51 119.8 . .
C53 C52 C51 115.8(11) . .
C53 C52 C55 122.6(10) . .
C51 C52 C55 121.6(10) . .
C52 C53 C54 123.7(12) . .
C52 C53 H53 118.1 . .
C54 C53 H53 118.1 . .
C49 C54 C53 121.7(14) . .
C49 C54 H54 119.2 . .
C53 C54 H54 119.2 . .
O11 C55 O12 122.3(10) . .
O11 C55 C52 122.3(11) . .
O12 C55 C52 115.3(10) . .
O13 C56 H56A 109.5 . .
O13 C56 H56B 109.5 . .
H56A C56 H56B 109.5 . .
O13 C56 H56C 109.5 . .
H56A C56 H56C 109.5 . .
H56B C56 H56C 109.5 . .
O14 C57 C58 114.1(7) . .
O14 C57 H57A 108.7 . .
C58 C57 H57A 108.7 . .
O14 C57 H57B 108.7 . .
C58 C57 H57B 108.7 . .
H57A C57 H57B 107.6 . .
C63 C58 C59 117.3(9) . .
C63 C58 C57 120.6(9) . .
C59 C58 C57 121.7(10) . .
C60 C59 C58 119.3(9) . .
C60 C59 H59 120.3 . .
C58 C59 H59 120.3 . .
C59 C60 C61 123.7(9) . .
C59 C60 H60 118.2 . .
C61 C60 H60 118.2 . .
C62 C61 C60 115.9(9) . .
C62 C61 C64 123.9(9) . .
C60 C61 C64 120.3(8) . .
C61 C62 C63 121.6(9) . .
C61 C62 H62 119.2 . .
C63 C62 H62 119.2 . .
C58 C63 C62 122.1(9) . .
C58 C63 H63 119.0 . .
C62 C63 H63 119.0 . .
O16 C64 O15 119.0(10) . .
O16 C64 C61 120.9(9) . .
O15 C64 C61 120.1(9) . .
O16 C64 Na3 50.8(5) . 2_567
O15 C64 Na3 68.2(5) . 2_567
C61 C64 Na3 171.6(7) . 2_567
C7 C65 C66 114.8(11) . .
C7 C65 H65A 108.6 . .
C66 C65 H65A 108.6 . .
C7 C65 H65B 108.6 . .
C66 C65 H65B 108.6 . .
H65A C65 H65B 107.5 . .
C67 C66 C65 117.2(14) . .
C67 C66 H66A 108.0 . .
C65 C66 H66A 108.0 . .
C67 C66 H66B 108.0 . .
C65 C66 H66B 108.0 . .
H66A C66 H66B 107.2 . .
C66 C67 C68 105.7(16) . .
C66 C67 H67A 110.6 . .
C68 C67 H67A 110.6 . .
C66 C67 H67B 110.6 . .
C68 C67 H67B 110.6 . .
H67A C67 H67B 108.7 . .
C69' C68 C67 128(4) . .
C69' C68 C69 92(4) . .
C67 C68 C69 112.1(10) . .
C14 C70 C71 112.8(9) . .
C14 C70 H70A 109.0 . .
C71 C70 H70A 109.0 . .
C14 C70 H70B 109.0 . .
C71 C70 H70B 109.0 . .
H70A C70 H70B 107.8 . .
C72 C71 C70 113.8(9) . .
C72 C71 H71A 108.8 . .
C70 C71 H71A 108.8 . .
C72 C71 H71B 108.8 . .
C70 C71 H71B 108.8 . .
H71A C71 H71B 107.7 . .
C73 C72 C71 111.3(11) . .
C73 C72 H72A 109.4 . .
C71 C72 H72A 109.4 . .
C73 C72 H72B 109.4 . .
C71 C72 H72B 109.4 . .
H72A C72 H72B 108.0 . .
C72 C73 C74 113.1(14) . .
C72 C73 H73A 109.0 . .
C74 C73 H73A 109.0 . .
C72 C73 H73B 109.0 . .
C74 C73 H73B 109.0 . .
H73A C73 H73B 107.8 . .
C73 C74 H74A 109.5 . .
C73 C74 H74B 109.5 . .
H74A C74 H74B 109.5 . .
C73 C74 H74C 109.5 . .
H74A C74 H74C 109.5 . .
H74B C74 H74C 109.5 . .
C76 C75 C21 113.6(11) . .
C76 C75 H75A 108.8 . .
C21 C75 H75A 108.8 . .
C76 C75 H75B 108.8 . .
C21 C75 H75B 108.8 . .
H75A C75 H75B 107.7 . .
C77 C76 C75 110.8(15) . .
C77 C76 H76A 109.5 . .
C75 C76 H76A 109.5 . .
C77 C76 H76B 109.5 . .
C75 C76 H76B 109.5 . .
H76A C76 H76B 108.1 . .
C78 C77 C76 110.7(18) . .
C78 C77 C78' 100(4) . .
C76 C77 C78' 99(4) . .
C78 C77 C79' 94(3) . .
C76 C77 C79' 146(3) . .
C78' C77 C79' 53.6(17) . .
C77 C78 C79 113.5(11) . .
C79' C78' C77 73(3) . .
C78' C79' C77 53.7(17) . .
C81 C80 C28 115.1(10) . .
C81 C80 H80A 108.5 . .
C28 C80 H80A 108.5 . .
C81 C80 H80B 108.5 . .
C28 C80 H80B 108.5 . .
H80A C80 H80B 107.5 . .
C80 C81 C82 118.8(14) . .
C80 C81 H81A 107.6 . .
C82 C81 H81A 107.6 . .
C80 C81 H81B 107.6 . .
C82 C81 H81B 107.6 . .
H81A C81 H81B 107.0 . .
C83 C82 C81 117.0(17) . .
C83 C82 H82A 108.0 . .
C81 C82 H82A 108.0 . .
C83 C82 H82B 108.0 . .
C81 C82 H82B 108.0 . .
H82A C82 H82B 107.3 . .
C84 C83 C82 116(2) . .
C84 C83 H83A 108.3 . .
C82 C83 H83A 108.3 . .
C84 C83 H83B 108.3 . .
C82 C83 H83B 108.3 . .
H83A C83 H83B 107.4 . .
C83 C84 H84A 109.5 . .
C83 C84 H84B 109.5 . .
H84A C84 H84B 109.5 . .
C83 C84 H84C 109.5 . .
H84A C84 H84C 109.5 . .
H84B C84 H84C 109.5 . .
O17 C85 C90 119.9(12) . .
O17 C85 C86 120.6(11) . .
C90 C85 C86 119.4(12) . .
C87 C86 C85 119.5(10) . .
C87 C86 C112 124.5(12) . .
C85 C86 C112 115.9(11) . .
C86 C87 C88 122.1(11) . .
C86 C87 H87 119.0 . .
C88 C87 H87 119.0 . .
C89 C88 C87 117.7(10) . .
C89 C88 C91 122.7(10) . .
C87 C88 C91 119.4(11) . .
C88 C89 C90 124.0(10) . .
C88 C89 O18 114.7(11) . .
C90 C89 O18 121.4(11) . .
C89 C90 C85 117.0(11) . .
C89 C90 H90 121.5 . .
C85 C90 H90 121.5 . .
C92 C91 C149 113.8(9) . .
C92 C91 C88 113.9(7) . .
C149 C91 C88 110.8(7) . .
C92 C91 H91 105.9 . .
C149 C91 H91 105.9 . .
C88 C91 H91 105.9 . .
C97 C92 C93 115.5(9) . .
C97 C92 C91 123.3(9) . .
C93 C92 C91 121.0(10) . .
C94 C93 O21 123.3(10) . .
C94 C93 C92 121.5(11) . .
O21 C93 C92 115.2(9) . .
C95 C94 C93 122.0(11) . .
C95 C94 H94 119.0 . .
C93 C94 H94 119.0 . .
C94 C95 O22 125.1(12) . .
C94 C95 C96 123.5(10) . .
O22 C95 C96 111.3(12) . .
C95 C96 C97 112.6(11) . .
C95 C96 C98 124.7(11) . .
C97 C96 C98 122.5(11) . .
C92 C97 C96 124.7(10) . .
C92 C97 H97 117.7 . .
C96 C97 H97 117.7 . .
C96 C98 C99 114.3(10) . .
C96 C98 C154 116.0(11) . .
C99 C98 C154 107.4(10) . .
C96 C98 H98 106.1 . .
C99 C98 H98 106.1 . .
C154 C98 H98 106.1 . .
C104 C99 C100 116.5(10) . .
C104 C99 C98 121.9(10) . .
C100 C99 C98 121.6(10) . .
C101 C100 C99 124.0(11) . .
C101 C100 H100 118.0 . .
C99 C100 H100 118.0 . .
C100 C101 C102 118.1(10) . .
C100 C101 C105 122.5(11) . .
C102 C101 C105 119.4(10) . .
O26 C102 C103 123.3(11) . .
O26 C102 C101 116.6(9) . .
C103 C102 C101 119.2(10) . .
C102 C103 C104 119.8(11) . .
C102 C103 H103 120.1 . .
C104 C103 H103 120.1 . .
C99 C104 C103 122.1(11) . .
C99 C104 O25 119.3(10) . .
C103 C104 O25 118.5(11) . .
C106 C105 C159 113.8(12) . .
C106 C105 C101 110.3(9) . .
C159 C105 C101 110.4(10) . .
C106 C105 H105 107.3 . .
C159 C105 H105 107.3 . .
C101 C105 H105 107.3 . .
C107 C106 C111 112.8(13) . .
C107 C106 C105 122.9(15) . .
C111 C106 C105 124.2(14) . .
C108 C107 C106 126.5(14) . .
C108 C107 H107 116.7 . .
C106 C107 H107 116.7 . .
C107 C108 C109 116.8(13) . .
C107 C108 C112 128.7(14) . .
C109 C108 C112 114.4(15) . .
O30 C109 C110 120.9(16) . .
O30 C109 C108 118.0(14) . .
C110 C109 C108 121.1(14) . .
C111 C110 C109 117.8(14) . .
C111 C110 H110 121.1 . .
C109 C110 H110 121.1 . .
C110 C111 O29 124.9(16) . .
C110 C111 C106 124.9(13) . .
O29 C111 C106 109.9(16) . .
C164 C112 C108 112.3(11) . .
C164 C112 C86 108.8(8) . .
C108 C112 C86 111.6(8) . .
C164 C112 H112 108.0 . .
C108 C112 H112 108.0 . .
C86 C112 H112 108.0 . .
O17 C113 H11D 109.5 . .
O17 C113 H11E 109.5 . .
H11D C113 H11E 109.5 . .
O17 C113 H11C 109.5 . .
H11D C113 H11C 109.5 . .
H11E C113 H11C 109.5 . .
O18 C114 C115 114.8(8) . .
O18 C114 H11A 108.6 . .
C115 C114 H11A 108.6 . .
O18 C114 H11B 108.6 . .
C115 C114 H11B 108.6 . .
H11A C114 H11B 107.5 . .
C120 C115 C116 119.1(9) . .
C120 C115 C114 121.3(9) . .
C116 C115 C114 119.4(10) . .
C115 C116 C117 119.4(10) . .
C115 C116 H116 120.3 . .
C117 C116 H116 120.3 . .
C118 C117 C116 122.7(9) . .
C118 C117 H117 118.6 . .
C116 C117 H117 118.6 . .
C117 C118 C119 116.2(9) . .
C117 C118 C121 121.3(9) . .
C119 C118 C121 122.4(10) . .
C120 C119 C118 121.0(10) . .
C120 C119 H119 119.5 . .
C118 C119 H119 119.5 . .
C115 C120 C119 121.5(9) . .
C115 C120 H120 119.2 . .
C119 C120 H120 119.2 . .
O20 C121 O19 120.7(9) . .
O20 C121 C118 122.2(11) . .
O19 C121 C118 117.1(8) . .
O20 C121 Na1 44.6(4) . 2_567
O19 C121 Na1 108.4(6) . 2_567
C118 C121 Na1 116.6(6) . 2_567
O21 C122 H12A 109.5 . .
O21 C122 H12B 109.5 . .
H12A C122 H12B 109.5 . .
O21 C122 H12C 109.5 . .
H12A C122 H12C 109.5 . .
H12B C122 H12C 109.5 . .
C124 C123 O22 110.5(11) . .
C124 C123 H12D 109.5 . .
O22 C123 H12D 109.5 . .
C124 C123 H12E 109.5 . .
O22 C123 H12E 109.5 . .
H12D C123 H12E 108.1 . .
C129 C124 C125 114.0(15) . .
C129 C124 C123 124.4(16) . .
C125 C124 C123 121.4(15) . .
C126 C125 C124 123.8(15) . .
C126 C125 H125 118.1 . .
C124 C125 H125 118.1 . .
C125 C126 C127 120.6(13) . .
C125 C126 H126 119.7 . .
C127 C126 H126 119.7 . .
C126 C127 C128 118.0(9) . .
C126 C127 C130 120.7(10) . .
C128 C127 C130 121.3(10) . .
C129 C128 C127 113.4(12) . .
C129 C128 H128 123.3 . .
C127 C128 H128 123.3 . .
C124 C129 C128 129.7(15) . .
C124 C129 H129 115.1 . .
C128 C129 H129 115.1 . .
O23 C130 O24 128.3(8) . .
O23 C130 C127 117.3(8) . .
O24 C130 C127 114.1(8) . .
O25 C131 H13A 109.5 . .
O25 C131 H13B 109.5 . .
H13A C131 H13B 109.5 . .
O25 C131 H13C 109.5 . .
H13A C131 H13C 109.5 . .
H13B C131 H13C 109.5 . .
O26 C132 C133 106.9(9) . .
O26 C132 H13D 110.3 . .
C133 C132 H13D 110.3 . .
O26 C132 H13E 110.3 . .
C133 C132 H13E 110.3 . .
H13D C132 H13E 108.6 . .
C138 C133 C134 118.3(12) . .
C138 C133 C132 121.2(13) . .
C134 C133 C132 120.5(12) . .
C133 C134 C135 121.4(12) . .
C133 C134 H134 119.3 . .
C135 C134 H134 119.3 . .
C134 C135 C136 119.7(12) . .
C134 C135 H135 120.2 . .
C136 C135 H135 120.2 . .
C137 C136 C135 118.0(10) . .
C137 C136 C139 123.4(12) . .
C135 C136 C139 118.5(11) . .
C136 C137 C138 120.4(11) . .
C136 C137 H137 119.8 . .
C138 C137 H137 119.8 . .
C133 C138 C137 122.1(12) . .
C133 C138 H138 118.9 . .
C137 C138 H138 118.9 . .
O28 C139 O27 123.4(10) . .
O28 C139 C136 120.2(12) . .
O27 C139 C136 116.4(12) . .
O28 C139 Zn1 71.1(6) . 2_666
O27 C139 Zn1 52.3(5) . 2_666
C136 C139 Zn1 168.7(11) . 2_666
O29 C140 H14H 109.5 . .
O29 C140 H14I 109.5 . .
H14H C140 H14I 109.5 . .
O29 C140 H14C 109.5 . .
H14H C140 H14C 109.5 . .
H14I C140 H14C 109.5 . .
O30 C141 C142 110.5(9) . .
O30 C141 H14F 109.6 . .
C142 C141 H14F 109.6 . .
O30 C141 H14G 109.6 . .
C142 C141 H14G 109.6 . .
H14F C141 H14G 108.1 . .
C143 C142 C147 118.2(9) . .
C143 C142 C141 124.6(11) . .
C147 C142 C141 117.1(11) . .
C142 C143 C144 121.9(10) . .
C142 C143 H143 119.1 . .
C144 C143 H143 119.1 . .
C145 C144 C143 119.6(10) . .
C145 C144 H144 120.2 . .
C143 C144 H144 120.2 . .
C146 C145 C144 118.7(9) . .
C146 C145 C148 117.3(9) . .
C144 C145 C148 123.7(10) . .
C145 C146 C147 121.3(10) . .
C145 C146 H146 119.4 . .
C147 C146 H146 119.4 . .
C142 C147 C146 120.1(10) . .
C142 C147 H147 120.0 . .
C146 C147 H147 120.0 . .
O32 C148 O31 124.1(9) . .
O32 C148 C145 122.0(11) . .
O31 C148 C145 113.9(10) . .
C150 C149 C91 114.0(8) . .
C150 C149 H14D 108.8 . .
C91 C149 H14D 108.8 . .
C150 C149 H14E 108.8 . .
C91 C149 H14E 108.8 . .
H14D C149 H14E 107.6 . .
C151 C150 C149 113.9(11) . .
C151 C150 H15A 108.8 . .
C149 C150 H15A 108.8 . .
C151 C150 H15B 108.8 . .
C149 C150 H15B 108.8 . .
H15A C150 H15B 107.7 . .
C152 C151 C150 109.1(13) . .
C152 C151 H15C 109.9 . .
C150 C151 H15C 109.9 . .
C152 C151 H15D 109.9 . .
C150 C151 H15D 109.9 . .
H15C C151 H15D 108.3 . .
C151 C152 C153 94.8(8) . .
C151 C152 H15E 112.8 . .
C153 C152 H15E 112.8 . .
C151 C152 H15F 112.8 . .
C153 C152 H15F 112.8 . .
H15E C152 H15F 110.2 . .
C152 C153 H15K 109.5 . .
C152 C153 H15L 109.5 . .
H15K C153 H15L 109.5 . .
C152 C153 H15M 109.5 . .
H15K C153 H15M 109.5 . .
H15L C153 H15M 109.5 . .
C155 C154 C98 112.9(15) . .
C155 C154 H15G 109.0 . .
C98 C154 H15G 109.0 . .
C155 C154 H15H 109.0 . .
C98 C154 H15H 109.0 . .
H15G C154 H15H 107.8 . .
C154 C155 C256 92.6(9) . .
C154 C155 C156 110.0(12) . .
C256 C155 C156 45(2) . .
C156 C157 C158 144(4) . .
C156 C257 C357 133(10) . .
C160 C159 C105 114.6(11) . .
C161 C160 C159 112.9(10) . .
C161 C160 H16A 109.0 . .
C159 C160 H16A 109.0 . .
C161 C160 H16B 109.0 . .
C159 C160 H16B 109.0 . .
H16A C160 H16B 107.8 . .
C162 C161 C160 109.2(19) . .
C162 C161 C163 50.5(15) . .
C160 C161 C163 100.7(11) . .
C162 C161 H16C 109.8 . .
C160 C161 H16C 109.8 . .
C163 C161 H16C 66.6 . .
C162 C161 H16D 109.8 . .
C160 C161 H16D 109.8 . .
C163 C161 H16D 148.6 . .
H16C C161 H16D 108.3 . .
C263 C162 C163 105(4) . .
C263 C162 C161 100(2) . .
C163 C162 C161 79(3) . .
C162 C163 C161 50.7(15) . .
C165 C164 C112 111.8(11) . .
C165 C164 H16E 109.3 . .
C112 C164 H16E 109.3 . .
C165 C164 H16F 109.3 . .
C112 C164 H16F 109.3 . .
H16E C164 H16F 107.9 . .
C266 C165 C166 41.7(17) . .
C266 C165 C164 118.2(19) . .
C166 C165 C164 130.8(15) . .
C266 C166 C165 61(2) . .
C266 C166 C167 121(5) . .
C165 C166 C167 113.3(11) . .
C266 C166 C267 91(4) . .
C165 C166 C267 121(2) . .
C167 C166 C267 37(3) . .
C166 C266 C165 77(3) . .
C166 C266 C267 57(3) . .
C165 C266 C267 111(2) . .
C267 C167 C268 115(4) . .
C267 C167 C168 137(8) . .
C268 C167 C168 99(7) . .
C267 C167 C166 77(3) . .
C268 C167 C166 116(4) . .
C168 C167 C166 112.3(11) . .
C167 C267 C166 66(2) . .
C167 C267 C266 93(2) . .
C166 C267 C266 31.9(17) . .
C1 O1 C29 119.1(7) . .
C5 O2 C30 117.3(9) . .
C37 O3 Zn2 127.1(6) . 2_567
C37 O3 Na4 113.9(7) . 2_566
Zn2 O3 Na4 94.6(3) 2_567 2_566
C37 O4 Na2 126.1(7) . .
C37 O4 Na1 126.9(7) . 2_567
Na2 O4 Na1 91.0(3) . 2_567
C9 O5 C38 122.0(11) . .
C11 O6 C39 117.7(8) . .
C46 O7 Zn1 117.9(6) . .
C46 O7 Na2 117.1(7) . .
Zn1 O7 Na2 86.8(2) . .
C46 O8 Na3 145.9(7) . .
C46 O8 Na1 120.3(7) . 2_567
Na3 O8 Na1 93.8(3) . 2_567
C47 O9 C16 118.4(8) . .
C48 O10 C18 116.4(10) . .
C55 O11 Na1 160.9(7) . .
C55 O12 Zn2 122.3(7) . .
C23 O13 C56 116.1(10) . .
C25 O14 C57 118.5(9) . .
C64 O15 Na1 127.2(6) . .
C64 O15 Na3 115.0(6) . 1_455
Na1 O15 Na3 114.5(3) . 1_455
C64 O15 Na3 86.1(6) . 2_567
Na1 O15 Na3 83.1(2) . 2_567
Na3 O15 Na3 82.4(2) 1_455 2_567
C64 O16 Zn1 134.4(6) . 1_455
C64 O16 Na3 104.7(6) . 2_567
Zn1 O16 Na3 99.9(3) 1_455 2_567
C85 O17 C113 118.8(11) . .
C114 O18 C89 117.2(9) . .
C121 O19 Zn1 118.0(5) . .
C121 O19 Na3 113.3(6) . 2_667
Zn1 O19 Na3 98.0(3) . 2_667
C121 O20 Na2 140.7(6) . .
C121 O20 Na1 114.2(5) . 2_567
Na2 O20 Na1 91.8(2) . 2_567
C93 O21 C122 117.4(7) . .
C95 O22 C123 117.8(10) . .
C130 O23 Na4 138.2(8) . .
C130 O24 Zn2 107.4(6) . 1_554
C104 O25 C131 121.6(9) . .
C102 O26 C132 114.9(9) . .
C139 O27 Zn1 97.5(7) . 2_666
C139 O28 Na2 161.6(8) . 2_666
C139 O28 Zn1 80.3(7) . 2_666
Na2 O28 Zn1 89.1(2) 2_666 2_666
C140 O29 C111 114.8(13) . .
C109 O30 C141 121.0(11) . .
C148 O31 Zn2 116.3(6) . 2_567
C148 O32 Na4 135.0(8) . 2_566
C148 O32 Na2 125.8(7) . .
Na4 O32 Na2 92.3(3) 2_566 .
C169 N1 C170 172(3) . .
C256 C156 C257 99(7) . .
C256 C156 C157 99(3) . .
C257 C156 C157 105(6) . .
C256 C156 C155 67.4(12) . .
C257 C156 C155 143(6) . .
C157 C156 C155 110.7(14) . .
C156 C256 C155 67.5(14) . .
Na2 O2W Na4 86.8(4) 2_566 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 O19 1.958(7) .
Zn1 O7 1.968(5) .
Zn1 O16 1.996(6) 1_655
Zn1 O27 2.010(6) 2_666
Zn1 O28 2.419(7) 2_666
Zn1 C139 2.520(10) 2_666
Zn1 Na2 3.287(4) .
Zn1 Na3 3.361(4) 2_667
Zn2 O31 1.938(6) 2_567
Zn2 O3 1.940(8) 2_567
Zn2 O12 1.958(6) .
Zn2 O24 1.993(8) 1_556
Zn2 Na4 3.411(6) 1_556
Na1 O11 2.230(10) .
Na1 O20 2.376(6) 2_567
Na1 O4 2.406(8) 2_567
Na1 O15 2.419(7) .
Na1 O8 2.469(8) 2_567
Na1 C121 3.086(9) 2_567
Na1 Na2 3.410(5) 2_567
Na1 Na3 3.451(6) 2_567
Na1 Na3 4.188(5) 1_455
Na2 O28 2.262(8) 2_666
Na2 O32 2.337(9) .
Na2 O20 2.373(7) .
Na2 O4 2.375(7) .
Na2 O2W 2.396(9) 2_566
Na2 O7 2.747(8) .
Na2 Na4 3.345(7) 2_566
Na2 Na1 3.410(5) 2_567
Na3 O1W 2.228(18) .
Na3 O8 2.254(8) .
Na3 O16 2.382(7) 2_567
Na3 O19 2.474(7) 2_667
Na3 O15 2.560(8) 1_655
Na3 O15 2.768(7) 2_567
Na3 C64 2.974(12) 2_567
Na3 Zn1 3.361(4) 2_667
Na3 Na1 3.451(6) 2_567
Na3 Na3 3.512(6) 2_667
Na3 Na1 4.188(5) 1_655
Na4 O23 2.106(11) .
Na4 O32 2.300(8) 2_566
Na4 O2W 2.473(13) .
Na4 O3 2.655(10) 2_566
Na4 Na2 3.345(7) 2_566
Na4 Zn2 3.411(6) 1_554
C1 O1 1.360(10) .
C1 C2 1.377(12) .
C1 C6 1.404(11) .
C2 C3 1.407(11) .
C2 C28 1.529(11) .
C3 C4 1.392(11) .
C3 H3 0.9300 .
C4 C5 1.347(12) .
C4 C7 1.512(12) .
C5 O2 1.388(9) .
C5 C6 1.423(12) .
C6 H6 0.9300 .
C7 C65 1.505(8) .
C7 C8 1.539(13) .
C7 H7 0.9800 .
C8 C13 1.307(11) .
C8 C9 1.371(12) .
C9 O5 1.386(11) .
C9 C10 1.401(14) .
C10 C11 1.368(13) .
C10 H10 0.9300 .
C11 O6 1.360(11) .
C11 C12 1.396(12) .
C12 C13 1.459(12) .
C12 C14 1.529(12) .
C13 H13 0.9300 .
C14 C70 1.519(12) .
C14 C15 1.521(11) .
C14 H14 0.9800 .
C15 C20 1.379(11) .
C15 C16 1.389(12) .
C16 C17 1.363(11) .
C16 O9 1.398(10) .
C17 C18 1.366(11) .
C17 H17 0.9300 .
C18 C19 1.371(12) .
C18 O10 1.381(10) .
C19 C20 1.399(12) .
C19 C21 1.550(12) .
C20 H20 0.9300 .
C21 C75 1.512(9) .
C21 C22 1.518(14) .
C21 H21 0.9800 .
C22 C23 1.411(13) .
C22 C27 1.440(13) .
C23 O13 1.384(12) .
C23 C24 1.409(14) .
C24 C25 1.324(13) .
C24 H24 0.9300 .
C25 O14 1.354(13) .
C25 C26 1.418(13) .
C26 C27 1.329(13) .
C26 C28 1.504(13) .
C27 H27 0.9300 .
C28 C80 1.543(13) .
C28 H28 0.9800 .
C29 O1 1.487(12) .
C29 H29A 0.9600 .
C29 H29B 0.9600 .
C29 H29C 0.9600 .
C30 O2 1.438(14) .
C30 C31 1.603(16) .
C30 H30A 0.9700 .
C30 H30B 0.9700 .
C31 C32 1.35(2) .
C31 C36 1.363(19) .
C32 C33 1.365(17) .
C32 H32 0.9300 .
C33 C34 1.418(16) .
C33 H33 0.9300 .
C34 C35 1.292(15) .
C34 C37 1.515(14) .
C35 C36 1.476(14) .
C35 H35 0.9300 .
C36 H36 0.9300 .
C37 O4 1.166(12) .
C37 O3 1.343(12) .
C38 O5 1.424(15) .
C38 H38A 0.9600 .
C38 H38B 0.9600 .
C38 H38C 0.9600 .
C39 O6 1.459(9) .
C39 C40 1.499(12) .
C39 H39A 0.9700 .
C39 H39B 0.9700 .
C40 C41 1.386(11) .
C40 C45 1.418(11) .
C41 C42 1.385(11) .
C41 H41 0.9300 .
C42 C43 1.383(10) .
C42 H42 0.9300 .
C43 C44 1.384(11) .
C43 C46 1.503(12) .
C44 C45 1.381(11) .
C44 H44 0.9300 .
C45 H45 0.9300 .
C46 O8 1.242(10) .
C46 O7 1.263(9) .
C47 O9 1.369(12) .
C47 H47A 0.9600 .
C47 H47B 0.9600 .
C47 H47C 0.9600 .
C48 O10 1.345(15) .
C48 C49 1.516(18) .
C48 H48A 0.9700 .
C48 H48B 0.9700 .
C49 C54 1.287(17) .
C49 C50 1.395(19) .
C50 C51 1.375(16) .
C50 H50 0.9300 .
C51 C52 1.391(13) .
C51 H51 0.9300 .
C52 C53 1.305(12) .
C52 C55 1.491(13) .
C53 C54 1.406(15) .
C53 H53 0.9300 .
C54 H54 0.9300 .
C55 O11 1.205(11) .
C55 O12 1.291(11) .
C56 O13 1.486(13) .
C56 H56A 0.9600 .
C56 H56B 0.9600 .
C56 H56C 0.9600 .
C57 O14 1.455(10) .
C57 C58 1.469(12) .
C57 H57A 0.9700 .
C57 H57B 0.9700 .
C58 C63 1.374(12) .
C58 C59 1.390(12) .
C59 C60 1.376(12) .
C59 H59 0.9300 .
C60 C61 1.388(11) .
C60 H60 0.9300 .
C61 C62 1.360(11) .
C61 C64 1.435(12) .
C62 C63 1.384(13) .
C62 H62 0.9300 .
C63 H63 0.9300 .
C64 O16 1.276(10) .
C64 O15 1.291(10) .
C64 Na3 2.974(12) 2_567
C65 C66 1.506(9) .
C65 H65A 0.9700 .
C65 H65B 0.9700 .
C66 C67 1.494(9) .
C66 H66A 0.9700 .
C66 H66B 0.9700 .
C67 C68 1.507(10) .
C67 H67A 0.9700 .
C67 H67B 0.9700 .
C68 C69' 1.39(9) .
C68 C69 1.507(10) .
C70 C71 1.555(13) .
C70 H70A 0.9700 .
C70 H70B 0.9700 .
C71 C72 1.540(15) .
C71 H71A 0.9700 .
C71 H71B 0.9700 .
C72 C73 1.450(16) .
C72 H72A 0.9700 .
C72 H72B 0.9700 .
C73 C74 1.561(19) .
C73 H73A 0.9700 .
C73 H73B 0.9700 .
C74 H74A 0.9600 .
C74 H74B 0.9600 .
C74 H74C 0.9600 .
C75 C76 1.506(9) .
C75 H75A 0.9700 .
C75 H75B 0.9700 .
C76 C77 1.497(10) .
C76 H76A 0.9700 .
C76 H76B 0.9700 .
C77 C78 1.491(10) .
C77 C78' 1.501(11) .
C77 C79' 1.78(7) .
C78 C79 1.502(10) .
C78' C79' 1.498(11) .
C80 C81 1.481(14) .
C80 H80A 0.9700 .
C80 H80B 0.9700 .
C81 C82 1.484(16) .
C81 H81A 0.9700 .
C81 H81B 0.9700 .
C82 C83 1.47(2) .
C82 H82A 0.9700 .
C82 H82B 0.9700 .
C83 C84 1.46(2) .
C83 H83A 0.9700 .
C83 H83B 0.9700 .
C84 H84A 0.9600 .
C84 H84B 0.9600 .
C84 H84C 0.9600 .
C85 O17 1.365(13) .
C85 C90 1.409(13) .
C85 C86 1.439(15) .
C86 C87 1.349(13) .
C86 C112 1.556(13) .
C87 C88 1.405(12) .
C87 H87 0.9300 .
C88 C89 1.359(14) .
C88 C91 1.567(13) .
C89 C90 1.401(13) .
C89 O18 1.420(11) .
C90 H90 0.9300 .
C91 C92 1.513(12) .
C91 C149 1.513(8) .
C91 H91 0.9800 .
C92 C97 1.350(13) .
C92 C93 1.407(12) .
C93 C94 1.361(13) .
C93 O21 1.398(11) .
C94 C95 1.302(13) .
C94 H94 0.9300 .
C95 O22 1.369(11) .
C95 C96 1.397(14) .
C96 C97 1.478(13) .
C96 C98 1.491(14) .
C97 H97 0.9300 .
C98 C99 1.501(13) .
C98 C154 1.527(13) .
C98 H98 0.9800 .
C99 C104 1.362(13) .
C99 C100 1.406(13) .
C100 C101 1.369(13) .
C100 H100 0.9300 .
C101 C102 1.410(14) .
C101 C105 1.564(14) .
C102 O26 1.370(11) .
C102 C103 1.396(13) .
C103 C104 1.406(14) .
C103 H103 0.9300 .
C104 O25 1.408(12) .
C105 C106 1.489(16) .
C105 C159 1.508(9) .
C105 H105 0.9800 .
C106 C107 1.384(15) .
C106 C111 1.436(18) .
C107 C108 1.340(16) .
C107 H107 0.9300 .
C108 C109 1.422(17) .
C108 C112 1.516(16) .
C109 O30 1.378(14) .
C109 C110 1.393(16) .
C110 C111 1.336(17) .
C110 H110 0.9300 .
C111 O29 1.433(14) .
C112 C164 1.508(9) .
C112 H112 0.9800 .
C113 O17 1.454(18) .
C113 H11D 0.9600 .
C113 H11E 0.9600 .
C113 H11C 0.9600 .
C114 O18 1.416(11) .
C114 C115 1.513(13) .
C114 H11A 0.9700 .
C114 H11B 0.9700 .
C115 C120 1.347(12) .
C115 C116 1.382(11) .
C116 C117 1.391(11) .
C116 H116 0.9300 .
C117 C118 1.354(12) .
C117 H117 0.9300 .
C118 C119 1.415(11) .
C118 C121 1.459(12) .
C119 C120 1.366(12) .
C119 H119 0.9300 .
C120 H120 0.9300 .
C121 O20 1.223(9) .
C121 O19 1.303(11) .
C121 Na1 3.086(9) 2_567
C122 O21 1.421(9) .
C122 H12A 0.9600 .
C122 H12B 0.9600 .
C122 H12C 0.9600 .
C123 C124 1.442(16) .
C123 O22 1.447(12) .
C123 H12D 0.9700 .
C123 H12E 0.9700 .
C124 C129 1.299(16) .
C124 C125 1.391(18) .
C125 C126 1.320(14) .
C125 H125 0.9300 .
C126 C127 1.423(14) .
C126 H126 0.9300 .
C127 C128 1.427(14) .
C127 C130 1.529(8) .
C128 C129 1.409(15) .
C128 H128 0.9300 .
C129 H129 0.9300 .
C130 O23 1.383(8) .
C130 O24 1.383(8) .
C131 O25 1.429(12) .
C131 H13A 0.9600 .
C131 H13B 0.9600 .
C131 H13C 0.9600 .
C132 O26 1.436(12) .
C132 C133 1.536(14) .
C132 H13D 0.9700 .
C132 H13E 0.9700 .
C133 C138 1.317(14) .
C133 C134 1.345(16) .
C134 C135 1.378(14) .
C134 H134 0.9300 .
C135 C136 1.386(14) .
C135 H135 0.9300 .
C136 C137 1.330(13) .
C136 C139 1.524(13) .
C137 C138 1.391(14) .
C137 H137 0.9300 .
C138 H138 0.9300 .
C139 O28 1.224(13) .
C139 O27 1.279(12) .
C139 Zn1 2.520(10) 2_666
C140 O29 1.389(15) .
C140 H14H 0.9600 .
C140 H14I 0.9600 .
C140 H14C 0.9600 .
C141 O30 1.448(13) .
C141 C142 1.499(13) .
C141 H14F 0.9700 .
C141 H14G 0.9700 .
C142 C143 1.338(12) .
C142 C147 1.393(14) .
C143 C144 1.395(11) .
C143 H143 0.9300 .
C144 C145 1.393(12) .
C144 H144 0.9300 .
C145 C146 1.337(11) .
C145 C148 1.524(12) .
C146 C147 1.401(13) .
C146 H146 0.9300 .
C147 H147 0.9300 .
C148 O32 1.198(11) .
C148 O31 1.310(11) .
C149 C150 1.509(9) .
C149 H14D 0.9700 .
C149 H14E 0.9700 .
C150 C151 1.505(9) .
C150 H15A 0.9700 .
C150 H15B 0.9700 .
C151 C152 1.489(10) .
C151 H15C 0.9700 .
C151 H15D 0.9700 .
C152 C153 1.497(10) .
C152 H15E 0.9700 .
C152 H15F 0.9700 .
C153 H15K 0.9600 .
C153 H15L 0.9600 .
C153 H15M 0.9600 .
C154 C155 1.514(16) .
C154 H15G 0.9700 .
C154 H15H 0.9700 .
C155 C256 1.534(10) .
C155 C156 1.535(17) .
C157 C156 1.50(2) .
C157 C158 1.510(19) .
C257 C156 1.501(11) .
C257 C357 1.79(13) .
C159 C160 1.506(9) .
C160 C161 1.505(10) .
C160 H16A 0.9700 .
C160 H16B 0.9700 .
C161 C162 1.502(10) .
C161 C163 1.90(6) .
C161 H16C 0.9700 .
C161 H16D 0.9700 .
C162 C263 1.37(5) .
C162 C163 1.497(11) .
C164 C165 1.497(9) .
C164 H16E 0.9700 .
C164 H16F 0.9700 .
C165 C266 1.33(4) .
C165 C166 1.481(10) .
C166 C266 1.01(4) .
C166 C167 1.507(10) .
C166 C267 1.60(4) .
C266 C267 1.91(4) .
C167 C267 1.00(7) .
C167 C268 1.43(6) .
C167 C168 1.502(11) .
O3 Zn2 1.940(8) 2_567
O3 Na4 2.655(10) 2_566
O4 Na1 2.406(8) 2_567
O8 Na1 2.469(8) 2_567
O15 Na3 2.560(8) 1_455
O15 Na3 2.768(7) 2_567
O16 Zn1 1.996(6) 1_455
O16 Na3 2.382(7) 2_567
O19 Na3 2.474(7) 2_667
O20 Na1 2.376(6) 2_567
O24 Zn2 1.993(8) 1_554
O27 Zn1 2.010(6) 2_666
O28 Na2 2.262(8) 2_666
O28 Zn1 2.419(7) 2_666
O31 Zn2 1.938(6) 2_567
O32 Na4 2.300(8) 2_566
N1 C169 1.35(3) .
N1 C170 1.40(2) .
C156 C256 1.18(5) .
O2W Na2 2.396(9) 2_566
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
C47 H47A O1W 0.96 2.39 3.13(2) 133.9 .
C57 H57A O3W 0.97 2.64 3.29(2) 124.9 2_567
C122 H12B O31 0.96 2.65 3.558(12) 157.7 .
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_4
O19 Zn1 Na2 O28 96.3(3) . 2_666
O7 Zn1 Na2 O28 -120.5(4) . 2_666
O16 Zn1 Na2 O28 -174.7(4) 1_655 2_666
O27 Zn1 Na2 O28 -13.4(3) 2_666 2_666
C139 Zn1 Na2 O28 -7.6(4) 2_666 2_666
Na3 Zn1 Na2 O28 134.8(3) 2_667 2_666
O19 Zn1 Na2 O32 35.0(4) . .
O7 Zn1 Na2 O32 178.1(5) . .
O16 Zn1 Na2 O32 123.9(5) 1_655 .
O27 Zn1 Na2 O32 -74.8(4) 2_666 .
O28 Zn1 Na2 O32 -61.4(5) 2_666 .
C139 Zn1 Na2 O32 -68.9(5) 2_666 .
Na3 Zn1 Na2 O32 73.5(4) 2_667 .
O19 Zn1 Na2 O20 -15.0(2) . .
O7 Zn1 Na2 O20 128.1(3) . .
O16 Zn1 Na2 O20 73.9(4) 1_655 .
O27 Zn1 Na2 O20 -124.8(2) 2_666 .
O28 Zn1 Na2 O20 -111.4(3) 2_666 .
C139 Zn1 Na2 O20 -118.9(3) 2_666 .
Na3 Zn1 Na2 O20 23.46(18) 2_667 .
O19 Zn1 Na2 O4 -93.4(3) . .
O7 Zn1 Na2 O4 49.8(3) . .
O16 Zn1 Na2 O4 -4.5(4) 1_655 .
O27 Zn1 Na2 O4 156.9(3) 2_666 .
O28 Zn1 Na2 O4 170.3(4) 2_666 .
C139 Zn1 Na2 O4 162.7(3) 2_666 .
Na3 Zn1 Na2 O4 -54.9(2) 2_667 .
O19 Zn1 Na2 O2W 167.4(4) . 2_566
O7 Zn1 Na2 O2W -49.4(4) . 2_566
O16 Zn1 Na2 O2W -103.7(5) 1_655 2_566
O27 Zn1 Na2 O2W 57.7(4) 2_666 2_566
O28 Zn1 Na2 O2W 71.1(5) 2_666 2_566
C139 Zn1 Na2 O2W 63.5(5) 2_666 2_566
Na3 Zn1 Na2 O2W -154.1(4) 2_667 2_566
O19 Zn1 Na2 O7 -143.2(3) . .
O16 Zn1 Na2 O7 -54.2(4) 1_655 .
O27 Zn1 Na2 O7 107.1(3) 2_666 .
O28 Zn1 Na2 O7 120.5(4) 2_666 .
C139 Zn1 Na2 O7 112.9(3) 2_666 .
Na3 Zn1 Na2 O7 -104.7(2) 2_667 .
O19 Zn1 Na2 Na4 154.2(8) . 2_566
O7 Zn1 Na2 Na4 -62.6(9) . 2_566
O16 Zn1 Na2 Na4 -116.9(9) 1_655 2_566
O27 Zn1 Na2 Na4 44.5(9) 2_666 2_566
O28 Zn1 Na2 Na4 57.9(9) 2_666 2_566
C139 Zn1 Na2 Na4 50.3(9) 2_666 2_566
Na3 Zn1 Na2 Na4 -167.3(8) 2_667 2_566
O19 Zn1 Na2 Na1 -61.36(18) . 2_567
O7 Zn1 Na2 Na1 81.8(2) . 2_567
O16 Zn1 Na2 Na1 27.6(4) 1_655 2_567
O27 Zn1 Na2 Na1 -171.1(2) 2_666 2_567
O28 Zn1 Na2 Na1 -157.7(3) 2_666 2_567
C139 Zn1 Na2 Na1 -165.3(3) 2_666 2_567
Na3 Zn1 Na2 Na1 -22.86(12) 2_667 2_567
O1 C1 C2 C3 -178.8(9) . .
C6 C1 C2 C3 0.8(15) . .
O1 C1 C2 C28 2.4(15) . .
C6 C1 C2 C28 -178.0(9) . .
C1 C2 C3 C4 -3.5(15) . .
C28 C2 C3 C4 175.2(9) . .
C2 C3 C4 C5 3.6(15) . .
C2 C3 C4 C7 -177.6(9) . .
C3 C4 C5 O2 177.5(8) . .
C7 C4 C5 O2 -1.3(15) . .
C3 C4 C5 C6 -1.0(16) . .
C7 C4 C5 C6 -179.9(9) . .
O1 C1 C6 C5 -178.9(10) . .
C2 C1 C6 C5 1.5(15) . .
C4 C5 C6 C1 -1.4(16) . .
O2 C5 C6 C1 -179.9(9) . .
C5 C4 C7 C65 -151.3(10) . .
C3 C4 C7 C65 29.9(14) . .
C5 C4 C7 C8 79.0(12) . .
C3 C4 C7 C8 -99.8(10) . .
C65 C7 C8 C13 -104.8(11) . .
C4 C7 C8 C13 25.8(12) . .
C65 C7 C8 C9 81.2(11) . .
C4 C7 C8 C9 -148.3(9) . .
C13 C8 C9 O5 -179.3(9) . .
C7 C8 C9 O5 -5.0(13) . .
C13 C8 C9 C10 5.2(15) . .
C7 C8 C9 C10 179.4(9) . .
C8 C9 C10 C11 -3.7(15) . .
O5 C9 C10 C11 -179.0(9) . .
C9 C10 C11 O6 -177.2(9) . .
C9 C10 C11 C12 1.6(14) . .
O6 C11 C12 C13 178.0(7) . .
C10 C11 C12 C13 -1.0(13) . .
O6 C11 C12 C14 -0.7(12) . .
C10 C11 C12 C14 -179.6(9) . .
C9 C8 C13 C12 -4.6(14) . .
C7 C8 C13 C12 -178.6(8) . .
C11 C12 C13 C8 2.6(13) . .
C14 C12 C13 C8 -178.9(8) . .
C11 C12 C14 C70 -81.6(9) . .
C13 C12 C14 C70 100.0(10) . .
C11 C12 C14 C15 149.1(8) . .
C13 C12 C14 C15 -29.4(11) . .
C70 C14 C15 C20 -15.3(14) . .
C12 C14 C15 C20 111.4(10) . .
C70 C14 C15 C16 163.2(9) . .
C12 C14 C15 C16 -70.1(10) . .
C20 C15 C16 C17 1.3(14) . .
C14 C15 C16 C17 -177.4(9) . .
C20 C15 C16 O9 179.9(8) . .
C14 C15 C16 O9 1.3(13) . .
C15 C16 C17 C18 0.0(15) . .
O9 C16 C17 C18 -178.5(8) . .
C16 C17 C18 C19 -0.5(15) . .
C16 C17 C18 O10 177.2(9) . .
C17 C18 C19 C20 -0.3(15) . .
O10 C18 C19 C20 -178.1(8) . .
C17 C18 C19 C21 -177.5(9) . .
O10 C18 C19 C21 4.6(14) . .
C16 C15 C20 C19 -2.1(14) . .
C14 C15 C20 C19 176.5(9) . .
C18 C19 C20 C15 1.6(15) . .
C21 C19 C20 C15 178.8(9) . .
C18 C19 C21 C75 -161.2(10) . .
C20 C19 C21 C75 21.7(15) . .
C18 C19 C21 C22 71.6(12) . .
C20 C19 C21 C22 -105.5(12) . .
C75 C21 C22 C23 86.5(12) . .
C19 C21 C22 C23 -144.8(10) . .
C75 C21 C22 C27 -95.6(11) . .
C19 C21 C22 C27 33.2(14) . .
C27 C22 C23 O13 -177.6(9) . .
C21 C22 C23 O13 0.6(14) . .
C27 C22 C23 C24 2.4(14) . .
C21 C22 C23 C24 -179.5(10) . .
O13 C23 C24 C25 -180.0(10) . .
C22 C23 C24 C25 0.1(17) . .
C23 C24 C25 O14 174.4(9) . .
C23 C24 C25 C26 -3.0(16) . .
C24 C25 C26 C27 3.2(14) . .
O14 C25 C26 C27 -174.4(8) . .
C24 C25 C26 C28 -177.4(9) . .
O14 C25 C26 C28 5.1(12) . .
C25 C26 C27 C22 -0.5(15) . .
C28 C26 C27 C22 -179.9(9) . .
C23 C22 C27 C26 -2.2(15) . .
C21 C22 C27 C26 179.7(9) . .
C27 C26 C28 C2 -36.4(13) . .
C25 C26 C28 C2 144.3(8) . .
C27 C26 C28 C80 92.6(10) . .
C25 C26 C28 C80 -86.8(10) . .
C1 C2 C28 C26 -71.1(12) . .
C3 C2 C28 C26 110.2(11) . .
C1 C2 C28 C80 161.4(10) . .
C3 C2 C28 C80 -17.3(15) . .
O2 C30 C31 C32 130.9(16) . .
O2 C30 C31 C36 -60.4(16) . .
C36 C31 C32 C33 -1(3) . .
C30 C31 C32 C33 167.0(14) . .
C31 C32 C33 C34 -6(3) . .
C32 C33 C34 C35 4(2) . .
C32 C33 C34 C37 -172.8(13) . .
C33 C34 C35 C36 5(2) . .
C37 C34 C35 C36 -178.8(11) . .
C32 C31 C36 C35 9(2) . .
C30 C31 C36 C35 -159.8(12) . .
C34 C35 C36 C31 -11(2) . .
C35 C34 C37 O4 -27.1(17) . .
C33 C34 C37 O4 149.3(14) . .
C35 C34 C37 O3 160.3(12) . .
C33 C34 C37 O3 -23.3(16) . .
O6 C39 C40 C41 12.9(13) . .
O6 C39 C40 C45 -165.4(8) . .
C45 C40 C41 C42 -7.6(14) . .
C39 C40 C41 C42 174.1(9) . .
C40 C41 C42 C43 5.9(14) . .
C41 C42 C43 C44 -2.5(14) . .
C41 C42 C43 C46 -175.6(9) . .
C42 C43 C44 C45 1.0(14) . .
C46 C43 C44 C45 174.2(9) . .
C43 C44 C45 C40 -2.9(15) . .
C41 C40 C45 C44 6.1(14) . .
C39 C40 C45 C44 -175.4(9) . .
C42 C43 C46 O8 2.6(14) . .
C44 C43 C46 O8 -170.3(9) . .
C42 C43 C46 O7 179.9(9) . .
C44 C43 C46 O7 7.1(14) . .
O10 C48 C49 C54 -123.3(17) . .
O10 C48 C49 C50 57(2) . .
C54 C49 C50 C51 1(3) . .
C48 C49 C50 C51 -179.3(15) . .
C49 C50 C51 C52 -4(3) . .
C50 C51 C52 C53 3(2) . .
C50 C51 C52 C55 -175.8(13) . .
C51 C52 C53 C54 1.6(18) . .
C55 C52 C53 C54 -179.4(10) . .
C50 C49 C54 C53 4(2) . .
C48 C49 C54 C53 -176.0(12) . .
C52 C53 C54 C49 -6(2) . .
C53 C52 C55 O11 -28.8(16) . .
C51 C52 C55 O11 150.1(12) . .
C53 C52 C55 O12 152.3(11) . .
C51 C52 C55 O12 -28.8(14) . .
O14 C57 C58 C63 -161.2(9) . .
O14 C57 C58 C59 26.3(14) . .
C63 C58 C59 C60 1.7(15) . .
C57 C58 C59 C60 174.4(9) . .
C58 C59 C60 C61 -2.4(15) . .
C59 C60 C61 C62 3.8(14) . .
C59 C60 C61 C64 -175.8(9) . .
C60 C61 C62 C63 -4.6(14) . .
C64 C61 C62 C63 175.0(9) . .
C59 C58 C63 C62 -2.6(16) . .
C57 C58 C63 C62 -175.4(10) . .
C61 C62 C63 C58 4.3(17) . .
C62 C61 C64 O16 -173.2(9) . .
C60 C61 C64 O16 6.4(14) . .
C62 C61 C64 O15 7.4(14) . .
C60 C61 C64 O15 -173.1(8) . .
C62 C61 C64 Na3 177(4) . 2_567
C60 C61 C64 Na3 -3(5) . 2_567
C4 C7 C65 C66 63.6(13) . .
C8 C7 C65 C66 -166.5(10) . .
C7 C65 C66 C67 68.1(19) . .
C65 C66 C67 C68 172.0(17) . .
C66 C67 C68 C69' 80(5) . .
C66 C67 C68 C69 -170(3) . .
C15 C14 C70 C71 -67.4(10) . .
C12 C14 C70 C71 164.7(7) . .
C14 C70 C71 C72 176.7(8) . .
C70 C71 C72 C73 173.2(10) . .
C71 C72 C73 C74 173.2(12) . .
C22 C21 C75 C76 -162.9(10) . .
C19 C21 C75 C76 69.7(13) . .
C21 C75 C76 C77 169.9(13) . .
C75 C76 C77 C78 -163.4(17) . .
C75 C76 C77 C78' -59(4) . .
C75 C76 C77 C79' -28(6) . .
C76 C77 C78 C79 173(2) . .
C78' C77 C78 C79 70(4) . .
C79' C77 C78 C79 16(4) . .
C78 C77 C78' C79' -88(4) . .
C76 C77 C78' C79' 159(4) . .
C78 C77 C79' C78' 99(5) . .
C76 C77 C79' C78' -39(8) . .
C26 C28 C80 C81 166.0(8) . .
C2 C28 C80 C81 -66.9(12) . .
C28 C80 C81 C82 162.5(10) . .
C80 C81 C82 C83 175.5(13) . .
C81 C82 C83 C84 175.4(16) . .
O17 C85 C86 C87 -179.7(9) . .
C90 C85 C86 C87 -3.6(15) . .
O17 C85 C86 C112 1.1(15) . .
C90 C85 C86 C112 177.1(8) . .
C85 C86 C87 C88 4.8(15) . .
C112 C86 C87 C88 -176.1(9) . .
C86 C87 C88 C89 -0.9(14) . .
C86 C87 C88 C91 173.7(8) . .
C87 C88 C89 C90 -4.5(14) . .
C91 C88 C89 C90 -178.8(8) . .
C87 C88 C89 O18 175.0(7) . .
C91 C88 C89 O18 0.6(13) . .
C88 C89 C90 C85 5.4(14) . .
O18 C89 C90 C85 -174.0(8) . .
O17 C85 C90 C89 174.8(9) . .
C86 C85 C90 C89 -1.3(14) . .
C89 C88 C91 C92 -132.6(10) . .
C87 C88 C91 C92 53.1(11) . .
C89 C88 C91 C149 97.5(11) . .
C87 C88 C91 C149 -76.7(10) . .
C149 C91 C92 C97 33.8(12) . .
C88 C91 C92 C97 -94.5(11) . .
C149 C91 C92 C93 -140.3(9) . .
C88 C91 C92 C93 91.5(10) . .
C97 C92 C93 C94 1.9(13) . .
C91 C92 C93 C94 176.4(9) . .
C97 C92 C93 O21 -176.1(9) . .
C91 C92 C93 O21 -1.6(12) . .
O21 C93 C94 C95 177.9(10) . .
C92 C93 C94 C95 0.1(15) . .
C93 C94 C95 O22 179.8(8) . .
C93 C94 C95 C96 -3.9(17) . .
C94 C95 C96 C97 4.8(14) . .
O22 C95 C96 C97 -178.4(7) . .
C94 C95 C96 C98 -170.3(10) . .
O22 C95 C96 C98 6.5(13) . .
C93 C92 C97 C96 -0.5(14) . .
C91 C92 C97 C96 -174.8(8) . .
C95 C96 C97 C92 -2.6(13) . .
C98 C96 C97 C92 172.6(10) . .
C95 C96 C98 C99 -83.1(12) . .
C97 C96 C98 C99 102.2(11) . .
C95 C96 C98 C154 151.0(10) . .
C97 C96 C98 C154 -23.6(14) . .
C96 C98 C99 C104 123.4(13) . .
C154 C98 C99 C104 -106.3(14) . .
C96 C98 C99 C100 -57.6(15) . .
C154 C98 C99 C100 72.7(16) . .
C104 C99 C100 C101 3.1(18) . .
C98 C99 C100 C101 -176.0(11) . .
C99 C100 C101 C102 -5.8(18) . .
C99 C100 C101 C105 173.9(11) . .
C100 C101 C102 O26 174.6(11) . .
C105 C101 C102 O26 -5.1(17) . .
C100 C101 C102 C103 5.3(18) . .
C105 C101 C102 C103 -174.4(12) . .
O26 C102 C103 C104 -171.0(12) . .
C101 C102 C103 C104 -2(2) . .
C100 C99 C104 C103 0.1(19) . .
C98 C99 C104 C103 179.1(12) . .
C100 C99 C104 O25 -179.0(11) . .
C98 C99 C104 O25 0.0(19) . .
C102 C103 C104 C99 0(2) . .
C102 C103 C104 O25 178.8(12) . .
C100 C101 C105 C106 53.0(16) . .
C102 C101 C105 C106 -127.3(13) . .
C100 C101 C105 C159 -73.6(15) . .
C102 C101 C105 C159 106.1(14) . .
C159 C105 C106 C107 22.9(14) . .
C101 C105 C106 C107 -101.8(11) . .
C159 C105 C106 C111 -154.0(10) . .
C101 C105 C106 C111 81.3(13) . .
C111 C106 C107 C108 1.4(15) . .
C105 C106 C107 C108 -175.8(10) . .
C106 C107 C108 C109 0.3(17) . .
C106 C107 C108 C112 176.4(9) . .
C107 C108 C109 O30 178.2(9) . .
C112 C108 C109 O30 1.5(13) . .
C107 C108 C109 C110 -1.3(15) . .
C112 C108 C109 C110 -177.9(8) . .
O30 C109 C110 C111 -179.1(10) . .
C108 C109 C110 C111 0.3(15) . .
C109 C110 C111 O29 175.6(8) . .
C109 C110 C111 C106 1.6(18) . .
C107 C106 C111 C110 -2.4(16) . .
C105 C106 C111 C110 174.7(11) . .
C107 C106 C111 O29 -177.2(8) . .
C105 C106 C111 O29 0.0(14) . .
C107 C108 C112 C164 -19.5(16) . .
C109 C108 C112 C164 156.7(9) . .
C107 C108 C112 C86 103.0(14) . .
C109 C108 C112 C86 -80.8(12) . .
C87 C86 C112 C164 74.3(13) . .
C85 C86 C112 C164 -106.5(12) . .
C87 C86 C112 C108 -50.2(15) . .
C85 C86 C112 C108 129.0(11) . .
O18 C114 C115 C120 159.8(9) . .
O18 C114 C115 C116 -25.2(12) . .
C120 C115 C116 C117 0.5(13) . .
C114 C115 C116 C117 -174.6(8) . .
C115 C116 C117 C118 1.1(14) . .
C116 C117 C118 C119 -2.3(13) . .
C116 C117 C118 C121 175.4(7) . .
C117 C118 C119 C120 2.1(12) . .
C121 C118 C119 C120 -175.6(8) . .
C116 C115 C120 C119 -0.7(14) . .
C114 C115 C120 C119 174.3(8) . .
C118 C119 C120 C115 -0.6(14) . .
C117 C118 C121 O20 3.3(13) . .
C119 C118 C121 O20 -179.1(7) . .
C117 C118 C121 O19 -178.7(8) . .
C119 C118 C121 O19 -1.1(12) . .
C117 C118 C121 Na1 -47.9(11) . 2_567
C119 C118 C121 Na1 129.7(7) . 2_567
O22 C123 C124 C129 84.9(18) . .
O22 C123 C124 C125 -89.6(16) . .
C129 C124 C125 C126 4(3) . .
C123 C124 C125 C126 178.8(16) . .
C124 C125 C126 C127 -8(3) . .
C125 C126 C127 C128 8(2) . .
C125 C126 C127 C130 -174.1(15) . .
C126 C127 C128 C129 -3.5(19) . .
C130 C127 C128 C129 178.4(11) . .
C125 C124 C129 C128 1(3) . .
C123 C124 C129 C128 -174.1(14) . .
C127 C128 C129 C124 -1(2) . .
C126 C127 C130 O23 12.7(17) . .
C128 C127 C130 O23 -169.2(12) . .
C126 C127 C130 O24 -173.6(11) . .
C128 C127 C130 O24 4.4(16) . .
O26 C132 C133 C138 -140.3(14) . .
O26 C132 C133 C134 39.9(19) . .
C138 C133 C134 C135 -1(2) . .
C132 C133 C134 C135 179.0(12) . .
C133 C134 C135 C136 2(2) . .
C134 C135 C136 C137 -4(2) . .
C134 C135 C136 C139 177.7(11) . .
C135 C136 C137 C138 5(2) . .
C139 C136 C137 C138 -176.7(11) . .
C134 C133 C138 C137 2(2) . .
C132 C133 C138 C137 -177.9(13) . .
C136 C137 C138 C133 -4(2) . .
C137 C136 C139 O28 -167.8(12) . .
C135 C136 C139 O28 10.5(16) . .
C137 C136 C139 O27 12.3(17) . .
C135 C136 C139 O27 -169.3(11) . .
C137 C136 C139 Zn1 11(5) . 2_666
C135 C136 C139 Zn1 -171(3) . 2_666
O30 C141 C142 C143 -22.8(17) . .
O30 C141 C142 C147 162.3(11) . .
C147 C142 C143 C144 -3.7(18) . .
C141 C142 C143 C144 -178.6(11) . .
C142 C143 C144 C145 6.4(17) . .
C143 C144 C145 C146 -5.9(16) . .
C143 C144 C145 C148 179.7(9) . .
C144 C145 C146 C147 3.1(17) . .
C148 C145 C146 C147 177.9(10) . .
C143 C142 C147 C146 0.8(19) . .
C141 C142 C147 C146 176.0(10) . .
C145 C146 C147 C142 -0.5(18) . .
C146 C145 C148 O32 18.8(15) . .
C144 C145 C148 O32 -166.7(10) . .
C146 C145 C148 O31 -160.5(9) . .
C144 C145 C148 O31 14.0(14) . .
C92 C91 C149 C150 61.8(12) . .
C88 C91 C149 C150 -168.3(10) . .
C91 C149 C150 C151 -174.5(12) . .
C149 C150 C151 C152 -172.7(13) . .
C150 C151 C152 C153 -176.4(15) . .
C96 C98 C154 C155 -165.6(12) . .
C99 C98 C154 C155 65.1(16) . .
C98 C154 C155 C256 -158.6(19) . .
C98 C154 C155 C156 159(2) . .
C106 C105 C159 C160 71.6(15) . .
C101 C105 C159 C160 -163.7(12) . .
C105 C159 C160 C161 157.2(17) . .
C159 C160 C161 C162 -42(3) . .
C159 C160 C161 C163 10(3) . .
C160 C161 C162 C263 -16(4) . .
C163 C161 C162 C263 -104(4) . .
C160 C161 C162 C163 88(2) . .
C263 C162 C163 C161 97(2) . .
C160 C161 C163 C162 -106(2) . .
C108 C112 C164 C165 -70.0(14) . .
C86 C112 C164 C165 166.0(12) . .
C112 C164 C165 C266 -179(2) . .
C112 C164 C165 C166 -130(3) . .
C164 C165 C166 C266 -88(4) . .
C266 C165 C166 C167 -113(5) . .
C164 C165 C166 C167 158(4) . .
C266 C165 C166 C267 -72(4) . .
C164 C165 C166 C267 -160(2) . .
C167 C166 C266 C165 101(3) . .
C267 C166 C266 C165 125.8(18) . .
C165 C166 C266 C267 -125.8(18) . .
C167 C166 C266 C267 -24(3) . .
C164 C165 C266 C166 121(3) . .
C166 C165 C266 C267 47(3) . .
C164 C165 C266 C267 167.6(17) . .
C266 C166 C167 C267 43(4) . .
C165 C166 C167 C267 112(4) . .
C266 C166 C167 C268 154(5) . .
C165 C166 C167 C268 -137(4) . .
C267 C166 C167 C268 111(5) . .
C266 C166 C167 C168 -93(8) . .
C165 C166 C167 C168 -24(9) . .
C267 C166 C167 C168 -135(9) . .
C268 C167 C267 C166 -112(5) . .
C168 C167 C267 C166 108(4) . .
C268 C167 C267 C266 -130(4) . .
C168 C167 C267 C266 90(4) . .
C166 C167 C267 C266 -18.0(18) . .
C266 C166 C267 C167 -144(4) . .
C165 C166 C267 C167 -88(3) . .
C165 C166 C267 C266 56(3) . .
C167 C166 C267 C266 144(4) . .
C166 C266 C267 C167 32(3) . .
C165 C266 C267 C167 -26(4) . .
C165 C266 C267 C166 -58(3) . .
C2 C1 O1 C29 -179.9(10) . .
C6 C1 O1 C29 0.4(15) . .
C4 C5 O2 C30 178.9(11) . .
C6 C5 O2 C30 -2.5(15) . .
C31 C30 O2 C5 -172.4(10) . .
O4 C37 O3 Zn2 -56.0(15) . 2_567
C34 C37 O3 Zn2 116.1(8) . 2_567
O4 C37 O3 Na4 60.4(12) . 2_566
C34 C37 O3 Na4 -127.4(7) . 2_566
O3 C37 O4 Na2 -32.2(15) . .
C34 C37 O4 Na2 156.2(7) . .
O3 C37 O4 Na1 92.8(12) . 2_567
C34 C37 O4 Na1 -78.8(12) . 2_567
O28 Na2 O4 C37 -160.1(9) 2_666 .
O32 Na2 O4 C37 33.1(9) . .
O20 Na2 O4 C37 127.1(9) . .
O2W Na2 O4 C37 -53.1(10) 2_566 .
O7 Na2 O4 C37 -147.4(9) . .
Zn1 Na2 O4 C37 -174.9(9) . .
Na4 Na2 O4 C37 -6.3(9) 2_566 .
Na1 Na2 O4 C37 139.1(10) 2_567 .
O28 Na2 O4 Na1 60.9(7) 2_666 2_567
O32 Na2 O4 Na1 -106.0(3) . 2_567
O20 Na2 O4 Na1 -11.9(3) . 2_567
O2W Na2 O4 Na1 167.9(4) 2_566 2_567
O7 Na2 O4 Na1 73.6(2) . 2_567
Zn1 Na2 O4 Na1 46.0(3) . 2_567
Na4 Na2 O4 Na1 -145.4(3) 2_566 2_567
C8 C9 O5 C38 -163.4(12) . .
C10 C9 O5 C38 12.2(16) . .
C10 C11 O6 C39 7.3(13) . .
C12 C11 O6 C39 -171.6(7) . .
C40 C39 O6 C11 73.5(10) . .
O8 C46 O7 Zn1 36.0(14) . .
C43 C46 O7 Zn1 -141.2(6) . .
O8 C46 O7 Na2 -65.5(11) . .
C43 C46 O7 Na2 117.4(8) . .
O19 Zn1 O7 C46 -64.5(9) . .
O16 Zn1 O7 C46 35.6(8) 1_655 .
O27 Zn1 O7 C46 150.9(8) 2_666 .
O28 Zn1 O7 C46 -155.7(8) 2_666 .
C139 Zn1 O7 C46 179.2(8) 2_666 .
Na2 Zn1 O7 C46 -119.1(8) . .
Na3 Zn1 O7 C46 -9.2(8) 2_667 .
O19 Zn1 O7 Na2 54.6(4) . .
O16 Zn1 O7 Na2 154.7(2) 1_655 .
O27 Zn1 O7 Na2 -90.0(3) 2_666 .
O28 Zn1 O7 Na2 -36.6(2) 2_666 .
C139 Zn1 O7 Na2 -61.7(4) 2_666 .
Na3 Zn1 O7 Na2 109.85(18) 2_667 .
O28 Na2 O7 C46 161.8(6) 2_666 .
O32 Na2 O7 C46 10(13) . .
O20 Na2 O7 C46 76.8(6) . .
O4 Na2 O7 C46 -11.7(6) . .
O2W Na2 O7 C46 -101.1(7) 2_566 .
Zn1 Na2 O7 C46 119.8(7) . .
Na4 Na2 O7 C46 -76.0(7) 2_566 .
Na1 Na2 O7 C46 33.7(6) 2_567 .
O28 Na2 O7 Zn1 42.0(3) 2_666 .
O32 Na2 O7 Zn1 -110(13) . .
O20 Na2 O7 Zn1 -43.0(2) . .
O4 Na2 O7 Zn1 -131.5(3) . .
O2W Na2 O7 Zn1 139.1(3) 2_566 .
Na4 Na2 O7 Zn1 164.2(3) 2_566 .
Na1 Na2 O7 Zn1 -86.06(18) 2_567 .
O7 C46 O8 Na3 -129.6(10) . .
C43 C46 O8 Na3 47.5(16) . .
O7 C46 O8 Na1 53.9(13) . 2_567
C43 C46 O8 Na1 -129.0(7) . 2_567
O1W Na3 O8 C46 -86.7(11) . .
O16 Na3 O8 C46 170.3(10) 2_567 .
O19 Na3 O8 C46 -7.3(17) 2_667 .
O15 Na3 O8 C46 53.3(11) 1_655 .
O15 Na3 O8 C46 151.8(11) 2_567 .
C64 Na3 O8 C46 160.5(10) 2_567 .
Zn1 Na3 O8 C46 142.9(10) 2_667 .
Na1 Na3 O8 C46 -177.0(12) 2_567 .
Na3 Na3 O8 C46 104.8(11) 2_667 .
Na1 Na3 O8 C46 65.5(11) 1_655 .
O1W Na3 O8 Na1 90.3(5) . 2_567
O16 Na3 O8 Na1 -12.7(4) 2_567 2_567
O19 Na3 O8 Na1 169.6(8) 2_667 2_567
O15 Na3 O8 Na1 -129.7(2) 1_655 2_567
O15 Na3 O8 Na1 -31.2(2) 2_567 2_567
C64 Na3 O8 Na1 -22.5(3) 2_567 2_567
Zn1 Na3 O8 Na1 -40.1(8) 2_667 2_567
Na3 Na3 O8 Na1 -78.20(19) 2_667 2_567
Na1 Na3 O8 Na1 -117.52(19) 1_655 2_567
C17 C16 O9 C47 -20.3(14) . .
C15 C16 O9 C47 161.1(10) . .
C49 C48 O10 C18 -178.8(11) . .
C17 C18 O10 C48 58.8(14) . .
C19 C18 O10 C48 -123.4(12) . .
O12 C55 O11 Na1 89(3) . .
C52 C55 O11 Na1 -90(3) . .
O20 Na1 O11 C55 -142(2) 2_567 .
O4 Na1 O11 C55 -55(3) 2_567 .
O15 Na1 O11 C55 124(2) . .
O8 Na1 O11 C55 8(3) 2_567 .
C121 Na1 O11 C55 -163(2) 2_567 .
Na2 Na1 O11 C55 -97(3) 2_567 .
Na3 Na1 O11 C55 71(3) 2_567 .
Na3 Na1 O11 C55 148(2) 1_455 .
O11 C55 O12 Zn2 0.7(13) . .
C52 C55 O12 Zn2 179.5(5) . .
O31 Zn2 O12 C55 67.7(8) 2_567 .
O3 Zn2 O12 C55 -72.7(7) 2_567 .
O24 Zn2 O12 C55 -175.6(7) 1_556 .
Na4 Zn2 O12 C55 -73.5(9) 1_556 .
C24 C23 O13 C56 -11.7(17) . .
C22 C23 O13 C56 168.3(11) . .
C24 C25 O14 C57 18.3(14) . .
C26 C25 O14 C57 -164.3(8) . .
C58 C57 O14 C25 75.8(12) . .
O16 C64 O15 Na1 -79.4(11) . .
C61 C64 O15 Na1 100.0(9) . .
Na3 C64 O15 Na1 -78.3(6) 2_567 .
O16 C64 O15 Na3 78.7(9) . 1_455
C61 C64 O15 Na3 -101.9(9) . 1_455
Na3 C64 O15 Na3 79.7(4) 2_567 1_455
O16 C64 O15 Na3 -1.0(8) . 2_567
C61 C64 O15 Na3 178.4(8) . 2_567
O11 Na1 O15 C64 -53.8(9) . .
O20 Na1 O15 C64 -154.2(8) 2_567 .
O4 Na1 O15 C64 123.3(12) 2_567 .
O8 Na1 O15 C64 108.5(8) 2_567 .
C121 Na1 O15 C64 -155.9(9) 2_567 .
Na2 Na1 O15 C64 -177.6(8) 2_567 .
Na3 Na1 O15 C64 79.8(8) 2_567 .
Na3 Na1 O15 C64 158.2(9) 1_455 .
O11 Na1 O15 Na3 148.0(3) . 1_455
O20 Na1 O15 Na3 47.6(3) 2_567 1_455
O4 Na1 O15 Na3 -34.9(11) 2_567 1_455
O8 Na1 O15 Na3 -49.6(3) 2_567 1_455
C121 Na1 O15 Na3 46.0(3) 2_567 1_455
Na2 Na1 O15 Na3 24.3(4) 2_567 1_455
Na3 Na1 O15 Na3 -78.4(3) 2_567 1_455
O11 Na1 O15 Na3 -133.6(2) . 2_567
O20 Na1 O15 Na3 126.0(2) 2_567 2_567
O4 Na1 O15 Na3 43.5(10) 2_567 2_567
O8 Na1 O15 Na3 28.73(19) 2_567 2_567
C121 Na1 O15 Na3 124.3(3) 2_567 2_567
Na2 Na1 O15 Na3 102.6(2) 2_567 2_567
Na3 Na1 O15 Na3 78.4(3) 1_455 2_567
O15 C64 O16 Zn1 -119.1(8) . 1_455
C61 C64 O16 Zn1 61.4(13) . 1_455
Na3 C64 O16 Zn1 -120.4(9) 2_567 1_455
O15 C64 O16 Na3 1.2(10) . 2_567
C61 C64 O16 Na3 -178.2(7) . 2_567
C90 C85 O17 C113 17.1(17) . .
C86 C85 O17 C113 -166.9(13) . .
C115 C114 O18 C89 -70.7(9) . .
C88 C89 O18 C114 163.5(8) . .
C90 C89 O18 C114 -17.0(11) . .
O20 C121 O19 Zn1 6.8(10) . .
C118 C121 O19 Zn1 -171.2(5) . .
Na1 C121 O19 Zn1 54.3(6) 2_567 .
O20 C121 O19 Na3 -106.8(7) . 2_667
C118 C121 O19 Na3 75.2(8) . 2_667
Na1 C121 O19 Na3 -59.3(5) 2_567 2_667
O7 Zn1 O19 C121 -32.1(7) . .
O16 Zn1 O19 C121 -138.4(6) 1_655 .
O27 Zn1 O19 C121 112.9(6) 2_666 .
O28 Zn1 O19 C121 54.2(6) 2_666 .
C139 Zn1 O19 C121 81.9(7) 2_666 .
Na2 Zn1 O19 C121 10.8(6) . .
Na3 Zn1 O19 C121 -121.8(7) 2_667 .
O7 Zn1 O19 Na3 89.7(4) . 2_667
O16 Zn1 O19 Na3 -16.6(3) 1_655 2_667
O27 Zn1 O19 Na3 -125.4(3) 2_666 2_667
O28 Zn1 O19 Na3 175.9(2) 2_666 2_667
C139 Zn1 O19 Na3 -156.3(4) 2_666 2_667
Na2 Zn1 O19 Na3 132.6(2) . 2_667
O19 C121 O20 Na2 -41.7(14) . .
C118 C121 O20 Na2 136.2(8) . .
Na1 C121 O20 Na2 -127.2(11) 2_567 .
O19 C121 O20 Na1 85.5(8) . 2_567
C118 C121 O20 Na1 -96.6(8) . 2_567
O28 Na2 O20 C121 -6.8(10) 2_666 .
O32 Na2 O20 C121 -116.1(10) . .
O4 Na2 O20 C121 145.5(10) . .
O2W Na2 O20 C121 140(11) 2_566 .
O7 Na2 O20 C121 64.9(10) . .
Zn1 Na2 O20 C121 36.8(9) . .
Na4 Na2 O20 C121 -140.2(9) 2_566 .
Na1 Na2 O20 C121 133.4(11) 2_567 .
O28 Na2 O20 Na1 -140.1(3) 2_666 2_567
O32 Na2 O20 Na1 110.5(3) . 2_567
O4 Na2 O20 Na1 12.1(3) . 2_567
O2W Na2 O20 Na1 6(11) 2_566 2_567
O7 Na2 O20 Na1 -68.4(2) . 2_567
Zn1 Na2 O20 Na1 -96.6(2) . 2_567
Na4 Na2 O20 Na1 86.5(3) 2_566 2_567
C94 C93 O21 C122 -7.9(13) . .
C92 C93 O21 C122 170.1(8) . .
C94 C95 O22 C123 1.9(15) . .
C96 C95 O22 C123 -174.8(9) . .
C124 C123 O22 C95 177.0(11) . .
O24 C130 O23 Na4 -52.7(17) . .
C127 C130 O23 Na4 120.0(10) . .
O32 Na4 O23 C130 97.1(10) 2_566 .
O2W Na4 O23 C130 84(6) . .
O3 Na4 O23 C130 17.1(10) 2_566 .
Na2 Na4 O23 C130 75.2(11) 2_566 .
Zn2 Na4 O23 C130 44.5(9) 1_554 .
O23 C130 O24 Zn2 5.7(14) . 1_554
C127 C130 O24 Zn2 -167.2(7) . 1_554
C99 C104 O25 C131 -166.7(13) . .
C103 C104 O25 C131 14.2(19) . .
C103 C102 O26 C132 -28.5(18) . .
C101 C102 O26 C132 162.6(12) . .
C133 C132 O26 C102 -165.3(12) . .
O28 C139 O27 Zn1 0.6(12) . 2_666
C136 C139 O27 Zn1 -179.6(7) . 2_666
O27 C139 O28 Na2 55(3) . 2_666
C136 C139 O28 Na2 -125(2) . 2_666
Zn1 C139 O28 Na2 56(2) 2_666 2_666
O27 C139 O28 Zn1 -0.5(10) . 2_666
C136 C139 O28 Zn1 179.7(9) . 2_666
C110 C111 O29 C140 -5.8(17) . .
C106 C111 O29 C140 168.9(11) . .
C110 C109 O30 C141 -9.9(13) . .
C108 C109 O30 C141 170.7(8) . .
C142 C141 O30 C109 -71.6(12) . .
O32 C148 O31 Zn2 -12.3(13) . 2_567
C145 C148 O31 Zn2 167.1(6) . 2_567
O31 C148 O32 Na4 58.9(14) . 2_566
C145 C148 O32 Na4 -120.3(9) . 2_566
O31 C148 O32 Na2 -83.6(12) . .
C145 C148 O32 Na2 97.1(10) . .
O28 Na2 O32 C148 -84.3(9) 2_666 .
O20 Na2 O32 C148 0.6(9) . .
O4 Na2 O32 C148 89.0(9) . .
O2W Na2 O32 C148 178.5(9) 2_566 .
O7 Na2 O32 C148 67(13) . .
Zn1 Na2 O32 C148 -41.0(10) . .
Na4 Na2 O32 C148 154.5(10) 2_566 .
Na1 Na2 O32 C148 43.7(9) 2_567 .
O28 Na2 O32 Na4 121.2(3) 2_666 2_566
O20 Na2 O32 Na4 -153.9(3) . 2_566
O4 Na2 O32 Na4 -65.6(3) . 2_566
O2W Na2 O32 Na4 24.0(4) 2_566 2_566
O7 Na2 O32 Na4 -87(13) . 2_566
Zn1 Na2 O32 Na4 164.5(3) . 2_566
Na1 Na2 O32 Na4 -110.8(3) 2_567 2_566
C357 C257 C156 C256 111(12) . .
C357 C257 C156 C157 -147(11) . .
C357 C257 C156 C155 46(20) . .
C158 C157 C156 C256 172(5) . .
C158 C157 C156 C257 69(9) . .
C158 C157 C156 C155 -119(5) . .
C154 C155 C156 C256 73.0(19) . .
C154 C155 C156 C257 148(11) . .
C256 C155 C156 C257 75(12) . .
C154 C155 C156 C157 -18(5) . .
C256 C155 C156 C157 -91(4) . .
C257 C156 C256 C155 -144(6) . .
C157 C156 C256 C155 109(2) . .
C154 C155 C256 C156 -115.9(17) . .
O23 Na4 O2W Na2 -10(6) . 2_566
O32 Na4 O2W Na2 -22.6(3) 2_566 2_566
O3 Na4 O2W Na2 56.8(3) 2_566 2_566
Zn2 Na4 O2W Na2 28.2(5) 1_554 2_566
