# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry A.
# This journal is © The Royal Society of Chemistry 2015

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_nn
_database_code_depnum_ccdc_archive 'CCDC 1032996'
_audit_update_record             
;
2014-11-06 deposited with the CCDC.
2015-03-02 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C48 H18 Na O24 Zn4'
_chemical_formula_sum            'C48 H18 Na O24 Zn4'
_chemical_formula_weight         1263.09

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'
O O 0.0106 0.0060 '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'
Zn Zn 0.2839 1.4301 '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'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   C2/c

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

_cell_length_a                   12.285(5)
_cell_length_b                   31.023(5)
_cell_length_c                   22.686(5)
_cell_angle_alpha                90.000(5)
_cell_angle_beta                 94.158(5)
_cell_angle_gamma                90.000(5)
_cell_volume                     8623(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.25
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    0.973
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2516
_exptl_absorpt_coefficient_mu    1.155
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7380
_exptl_absorpt_correction_T_max  0.7611
_exptl_absorpt_process_details   'SADABS(Sheldrick, 1996)'

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      298(2)
_diffrn_radiation_wavelength     0.71069
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX CCD area-detector'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            18606
_diffrn_reflns_av_R_equivalents  0.0964
_diffrn_reflns_av_sigmaI/netI    0.1248
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_k_max       34
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         2.05
_diffrn_reflns_theta_max         22.93
_reflns_number_total             5944
_reflns_number_gt                3304
_reflns_threshold_expression     >2σ(I)

_computing_data_collection       'SMART (Bruker, 1997)'
_computing_cell_refinement       'SMART (Bruker, 1997)'
_computing_data_reduction        SAINT
_computing_structure_solution    'SHELXS-97(Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'SHELXTL-PLUS (Sheldrick, 1990)'
_computing_publication_material  SHELXL-97

_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2σ(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0611P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         5944
_refine_ls_number_parameters     354
_refine_ls_number_restraints     30
_refine_ls_R_factor_all          0.0938
_refine_ls_R_factor_gt           0.0520
_refine_ls_wR_factor_ref         0.1312
_refine_ls_wR_factor_gt          0.1197
_refine_ls_goodness_of_fit_ref   0.865
_refine_ls_restrained_S_all      0.871
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Zn1 Zn 1.30458(6) 0.86844(2) -0.01144(3) 0.0291(2) Uani 1 1 d . . .
Zn2 Zn 0.74059(6) 1.08335(2) 0.16072(3) 0.0326(2) Uani 1 1 d . . .
Na1 Na 1.0000 1.04669(16) 0.2500 0.0704(14) Uani 1 2 d S . .
C1 C 0.7957(6) 0.93198(19) -0.1136(3) 0.049(2) Uani 1 1 d D . .
H1A H 0.8668 0.9384 -0.1223 0.059 Uiso 1 1 calc R . .
C2 C 0.7694(5) 0.93080(19) -0.0544(3) 0.0355(17) Uani 1 1 d . . .
C3 C 0.6641(5) 0.91976(19) -0.0437(2) 0.0305(15) Uani 1 1 d . . .
H3A H 0.6458 0.9176 -0.0047 0.037 Uiso 1 1 calc R . .
C4 C 0.5846(5) 0.91172(19) -0.0885(3) 0.0365(17) Uani 1 1 d . . .
C5 C 0.6141(6) 0.91443(19) -0.1469(3) 0.0420(18) Uani 1 1 d D . .
H5A H 0.5613 0.9097 -0.1777 0.050 Uiso 1 1 calc R . .
C6 C 0.7168(5) 0.92370(13) -0.1597(3) 0.0471(19) Uani 1 1 d D . .
C7 C 0.7450(7) 0.92532(15) -0.2226(3) 0.066(2) Uani 1 1 d D . .
C8 C 0.4690(6) 0.9014(2) -0.0774(3) 0.0406(18) Uani 1 1 d . . .
C9 C 0.8750(7) 1.0213(2) 0.1206(3) 0.0424(18) Uani 1 1 d . . .
C10 C 0.9039(6) 0.98675(19) 0.0783(2) 0.0325(16) Uani 1 1 d . . .
C11 C 0.8263(5) 0.97132(19) 0.0365(3) 0.0343(16) Uani 1 1 d . . .
H11A H 0.7541 0.9801 0.0378 0.041 Uiso 1 1 calc R . .
C12 C 0.8539(5) 0.94290(19) -0.0076(2) 0.0319(16) Uani 1 1 d . . .
C13 C 0.9610(5) 0.92875(19) -0.0081(2) 0.0357(17) Uani 1 1 d . . .
H13A H 0.9798 0.9095 -0.0370 0.043 Uiso 1 1 calc R . .
C14 C 1.0108(6) 0.9715(2) 0.0772(3) 0.0425(18) Uani 1 1 d . . .
H14A H 1.0635 0.9807 0.1059 0.051 Uiso 1 1 calc R . .
C15 C 1.0397(5) 0.9429(2) 0.0338(3) 0.0344(16) Uani 1 1 d . . .
C16 C 1.1527(6) 0.9261(2) 0.0332(3) 0.049(2) Uani 1 1 d . . .
C17 C 1.3755(6) 0.8266(2) 0.0965(3) 0.053(2) Uani 1 1 d . . .
C18 C 1.3899(5) 0.78647(19) 0.1333(2) 0.0394(18) Uani 1 1 d . A .
C19 C 1.4517(6) 0.7867(2) 0.1874(3) 0.050(2) Uani 1 1 d . . .
H19A H 1.4840 0.8123 0.2009 0.060 Uiso 1 1 calc R A .
C20 C 1.3420(5) 0.7490(2) 0.1133(3) 0.0429(19) Uani 1 1 d . . .
H20A H 1.3014 0.7486 0.0771 0.051 Uiso 1 1 calc R A .
C21 C 1.4662(6) 0.75000(19) 0.2214(2) 0.0425(19) Uani 1 1 d . . .
C22 C 1.4140(6) 0.7126(2) 0.2008(3) 0.0447(19) Uani 1 1 d . . .
H22A H 1.4196 0.6878 0.2238 0.054 Uiso 1 1 calc R A .
C23 C 1.3531(5) 0.7115(2) 0.1464(2) 0.0381(17) Uani 1 1 d . A .
C24 C 1.3017(5) 0.6703(2) 0.1238(3) 0.0360(17) Uani 1 1 d . . .
O1 O 0.6796(5) 0.91859(15) -0.26266(18) 0.0672(16) Uani 1 1 d D . .
O3 O 0.4465(3) 0.89365(14) -0.02408(19) 0.0463(12) Uani 1 1 d . . .
O4 O 0.3992(4) 0.90172(18) -0.1191(2) 0.0734(17) Uani 1 1 d . . .
O5 O 0.9482(4) 1.03685(16) 0.1548(2) 0.0679(16) Uani 1 1 d . . .
O6 O 0.7757(4) 1.03198(14) 0.11980(19) 0.0498(13) Uani 1 1 d . . .
O7 O 1.2252(4) 0.94012(18) 0.0709(2) 0.0815(17) Uani 1 1 d . . .
O8 O 1.1719(4) 0.89999(16) -0.0072(2) 0.0537(14) Uani 1 1 d . . .
O10 O 1.3277(4) 0.82322(13) 0.04694(17) 0.0508(14) Uani 1 1 d . A .
O11 O 1.2438(4) 0.67204(12) 0.07601(17) 0.0462(13) Uani 1 1 d . . .
O12 O 1.3210(3) 0.63732(13) 0.15494(17) 0.0430(12) Uani 1 1 d . . .
O2A O 0.8434(9) 0.9178(4) -0.2332(4) 0.089(3) Uani 0.60 1 d PDU . 1
O2B O 0.8233(13) 0.9520(5) -0.2324(6) 0.089(3) Uani 0.40 1 d PDU . 2
O9A O 1.4418(10) 0.8598(6) 0.1097(7) 0.055(3) Uani 0.50 1 d PU A 1
O9B O 1.3926(10) 0.8621(6) 0.1222(7) 0.055(3) Uani 0.50 1 d PU A 2


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Zn1 O8 1.909(5) . ?
Zn1 O10 1.936(4) . ?
Zn1 O3 1.951(4) 1_655 ?
Zn1 O11 1.987(4) 7_765 ?
Zn2 O6 1.910(4) . ?
Zn2 O1 1.943(5) 6_576 ?
Zn2 O12 1.953(4) 3_455 ?
Zn2 O4 1.954(5) 5_675 ?
Na1 O5 2.228(5) . ?
Na1 O5 2.228(5) 2_755 ?
Na1 O2B 2.235(16) 6_576 ?
Na1 O2B 2.235(16) 5_775 ?
Na1 O2A 2.273(12) 5_775 ?
Na1 O2A 2.273(12) 6_576 ?
C1 C6 1.397(8) . ?
C1 C2 1.406(8) . ?
C1 H1A 0.9300 . ?
C2 C3 1.377(8) . ?
C2 C12 1.478(8) . ?
C3 C4 1.381(7) . ?
C3 H3A 0.9300 . ?
C4 C5 1.400(8) . ?
C4 C8 1.494(9) . ?
C5 C6 1.346(8) . ?
C5 H5A 0.9300 . ?
C6 C7 1.493(8) . ?
C7 O1 1.187(7) . ?
C7 O2A 1.272(10) . ?
C7 O2B 1.301(13) . ?
C8 O4 1.231(7) . ?
C8 O3 1.282(7) . ?
C9 O5 1.242(7) . ?
C9 O6 1.263(8) . ?
C9 C10 1.497(8) . ?
C10 C11 1.380(8) . ?
C10 C14 1.398(8) . ?
C11 C12 1.393(8) . ?
C11 H11A 0.9300 . ?
C12 C13 1.389(8) . ?
C13 C15 1.377(8) . ?
C13 H13A 0.9300 . ?
C14 C15 1.392(8) . ?
C14 H14A 0.9300 . ?
C15 C16 1.483(9) . ?
C16 O7 1.266(7) . ?
C16 O8 1.258(8) . ?
C17 O10 1.234(7) . ?
C17 O9B 1.257(17) . ?
C17 O9A 1.334(17) . ?
C17 C18 1.503(8) . ?
C18 C20 1.366(8) . ?
C18 C19 1.396(7) . ?
C19 C21 1.380(7) . ?
C19 H19A 0.9300 . ?
C20 C23 1.385(7) . ?
C20 H20A 0.9300 . ?
C21 C22 1.389(8) . ?
C21 C21 1.489(10) 2_855 ?
C22 C23 1.397(7) . ?
C22 H22A 0.9300 . ?
C23 C24 1.499(8) . ?
C24 O11 1.255(6) . ?
C24 O12 1.255(6) . ?
O1 Zn2 1.943(5) 6_575 ?
O3 Zn1 1.951(4) 1_455 ?
O4 Zn2 1.954(5) 5_675 ?
O11 Zn1 1.987(4) 7_765 ?
O12 Zn2 1.953(4) 3_545 ?
O2A Na1 2.273(11) 5_775 ?
O2B Na1 2.235(16) 5_775 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O8 Zn1 O10 114.8(2) . . ?
O8 Zn1 O3 125.3(2) . 1_655 ?
O10 Zn1 O3 107.63(19) . 1_655 ?
O8 Zn1 O11 98.7(2) . 7_765 ?
O10 Zn1 O11 93.86(16) . 7_765 ?
O3 Zn1 O11 111.56(19) 1_655 7_765 ?
O6 Zn2 O1 121.64(19) . 6_576 ?
O6 Zn2 O12 123.3(2) . 3_455 ?
O1 Zn2 O12 108.44(19) 6_576 3_455 ?
O6 Zn2 O4 100.6(2) . 5_675 ?
O1 Zn2 O4 93.3(2) 6_576 5_675 ?
O12 Zn2 O4 101.3(2) 3_455 5_675 ?
O5 Na1 O5 164.3(4) . 2_755 ?
O5 Na1 O2B 87.9(4) . 6_576 ?
O5 Na1 O2B 92.4(4) 2_755 6_576 ?
O5 Na1 O2B 92.4(4) . 5_775 ?
O5 Na1 O2B 87.9(4) 2_755 5_775 ?
O2B Na1 O2B 177.9(9) 6_576 5_775 ?
O5 Na1 O2A 95.2(3) . 5_775 ?
O5 Na1 O2A 92.5(3) 2_755 5_775 ?
O2B Na1 O2A 149.9(6) 6_576 5_775 ?
O2B Na1 O2A 28.0(4) 5_775 5_775 ?
O5 Na1 O2A 92.5(3) . 6_576 ?
O5 Na1 O2A 95.2(3) 2_755 6_576 ?
O2B Na1 O2A 28.0(4) 6_576 6_576 ?
O2B Na1 O2A 149.9(6) 5_775 6_576 ?
O2A Na1 O2A 122.0(6) 5_775 6_576 ?
C6 C1 C2 121.1(6) . . ?
C6 C1 H1A 119.5 . . ?
C2 C1 H1A 119.5 . . ?
C3 C2 C1 117.3(5) . . ?
C3 C2 C12 123.8(6) . . ?
C1 C2 C12 118.8(6) . . ?
C2 C3 C4 122.6(6) . . ?
C2 C3 H3A 118.7 . . ?
C4 C3 H3A 118.7 . . ?
C3 C4 C5 117.9(6) . . ?
C3 C4 C8 122.9(6) . . ?
C5 C4 C8 119.2(5) . . ?
C6 C5 C4 121.9(6) . . ?
C6 C5 H5A 119.1 . . ?
C4 C5 H5A 119.1 . . ?
C5 C6 C1 119.2(6) . . ?
C5 C6 C7 119.9(6) . . ?
C1 C6 C7 120.8(7) . . ?
O1 C7 O2A 115.0(8) . . ?
O1 C7 O2B 116.7(9) . . ?
O2A C7 O2B 50.2(8) . . ?
O1 C7 C6 122.3(7) . . ?
O2A C7 C6 117.7(8) . . ?
O2B C7 C6 114.2(9) . . ?
O4 C8 O3 122.7(6) . . ?
O4 C8 C4 119.1(6) . . ?
O3 C8 C4 118.2(6) . . ?
O5 C9 O6 124.1(7) . . ?
O5 C9 C10 119.0(7) . . ?
O6 C9 C10 116.9(6) . . ?
C11 C10 C14 118.3(6) . . ?
C11 C10 C9 120.3(6) . . ?
C14 C10 C9 121.3(6) . . ?
C10 C11 C12 121.4(6) . . ?
C10 C11 H11A 119.3 . . ?
C12 C11 H11A 119.3 . . ?
C13 C12 C11 119.1(5) . . ?
C13 C12 C2 122.0(6) . . ?
C11 C12 C2 118.8(6) . . ?
C15 C13 C12 120.8(6) . . ?
C15 C13 H13A 119.6 . . ?
C12 C13 H13A 119.6 . . ?
C15 C14 C10 121.1(6) . . ?
C15 C14 H14A 119.4 . . ?
C10 C14 H14A 119.4 . . ?
C13 C15 C14 119.3(6) . . ?
C13 C15 C16 119.5(6) . . ?
C14 C15 C16 121.2(6) . . ?
O7 C16 O8 123.6(7) . . ?
O7 C16 C15 119.1(7) . . ?
O8 C16 C15 117.3(6) . . ?
O10 C17 O9B 123.4(9) . . ?
O10 C17 O9A 120.9(9) . . ?
O9B C17 O9A 30.7(9) . . ?
O10 C17 C18 117.6(6) . . ?
O9B C17 C18 117.3(9) . . ?
O9A C17 C18 118.0(9) . . ?
C20 C18 C19 119.3(6) . . ?
C20 C18 C17 119.4(5) . . ?
C19 C18 C17 121.2(6) . . ?
C21 C19 C18 121.8(6) . . ?
C21 C19 H19A 119.1 . . ?
C18 C19 H19A 119.1 . . ?
C18 C20 C23 120.8(5) . . ?
C18 C20 H20A 119.6 . . ?
C23 C20 H20A 119.6 . . ?
C19 C21 C22 117.5(5) . . ?
C19 C21 C21 121.9(4) . 2_855 ?
C22 C21 C21 120.5(4) . 2_855 ?
C21 C22 C23 121.6(5) . . ?
C21 C22 H22A 119.2 . . ?
C23 C22 H22A 119.2 . . ?
C20 C23 C22 118.8(6) . . ?
C20 C23 C24 120.6(5) . . ?
C22 C23 C24 120.6(5) . . ?
O11 C24 O12 126.4(6) . . ?
O11 C24 C23 117.1(5) . . ?
O12 C24 C23 116.5(5) . . ?
C7 O1 Zn2 114.0(5) . 6_575 ?
C8 O3 Zn1 118.0(4) . 1_455 ?
C8 O4 Zn2 155.8(5) . 5_675 ?
C9 O5 Na1 143.4(5) . . ?
C9 O6 Zn2 117.7(4) . . ?
C16 O8 Zn1 124.9(4) . . ?
C17 O10 Zn1 126.7(4) . . ?
C24 O11 Zn1 136.9(4) . 7_765 ?
C24 O12 Zn2 131.4(4) . 3_545 ?
C7 O2A Na1 140.4(8) . 5_775 ?
C7 O2B Na1 141.4(12) . 5_775 ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C6 C1 C2 C3 2.1(8) . . . . ?
C6 C1 C2 C12 -175.6(5) . . . . ?
C1 C2 C3 C4 -2.6(9) . . . . ?
C12 C2 C3 C4 175.0(6) . . . . ?
C2 C3 C4 C5 1.0(9) . . . . ?
C2 C3 C4 C8 -177.5(6) . . . . ?
C3 C4 C5 C6 1.3(9) . . . . ?
C8 C4 C5 C6 179.8(5) . . . . ?
C4 C5 C6 C1 -1.7(6) . . . . ?
C4 C5 C6 C7 178.7(5) . . . . ?
C2 C1 C6 C5 0.0(6) . . . . ?
C2 C1 C6 C7 179.5(5) . . . . ?
C5 C6 C7 O1 -0.1(3) . . . . ?
C1 C6 C7 O1 -179.7(3) . . . . ?
C5 C6 C7 O2A -153.8(8) . . . . ?
C1 C6 C7 O2A 26.6(8) . . . . ?
C5 C6 C7 O2B 150.0(10) . . . . ?
C1 C6 C7 O2B -29.5(11) . . . . ?
C3 C4 C8 O4 168.0(6) . . . . ?
C5 C4 C8 O4 -10.4(9) . . . . ?
C3 C4 C8 O3 -10.4(9) . . . . ?
C5 C4 C8 O3 171.2(6) . . . . ?
O5 C9 C10 C11 -174.7(6) . . . . ?
O6 C9 C10 C11 7.0(9) . . . . ?
O5 C9 C10 C14 0.6(9) . . . . ?
O6 C9 C10 C14 -177.7(6) . . . . ?
C14 C10 C11 C12 -3.0(9) . . . . ?
C9 C10 C11 C12 172.5(6) . . . . ?
C10 C11 C12 C13 2.2(9) . . . . ?
C10 C11 C12 C2 -174.2(6) . . . . ?
C3 C2 C12 C13 139.0(7) . . . . ?
C1 C2 C12 C13 -43.5(9) . . . . ?
C3 C2 C12 C11 -44.7(9) . . . . ?
C1 C2 C12 C11 132.9(6) . . . . ?
C11 C12 C13 C15 -0.9(9) . . . . ?
C2 C12 C13 C15 175.4(6) . . . . ?
C11 C10 C14 C15 2.5(9) . . . . ?
C9 C10 C14 C15 -172.9(6) . . . . ?
C12 C13 C15 C14 0.4(9) . . . . ?
C12 C13 C15 C16 178.0(6) . . . . ?
C10 C14 C15 C13 -1.2(9) . . . . ?
C10 C14 C15 C16 -178.8(6) . . . . ?
C13 C15 C16 O7 178.2(6) . . . . ?
C14 C15 C16 O7 -4.2(10) . . . . ?
C13 C15 C16 O8 1.7(10) . . . . ?
C14 C15 C16 O8 179.3(6) . . . . ?
O10 C17 C18 C20 -5.8(11) . . . . ?
O9B C17 C18 C20 160.2(9) . . . . ?
O9A C17 C18 C20 -165.0(9) . . . . ?
O10 C17 C18 C19 174.0(7) . . . . ?
O9B C17 C18 C19 -20.1(12) . . . . ?
O9A C17 C18 C19 14.7(13) . . . . ?
C20 C18 C19 C21 0.2(11) . . . . ?
C17 C18 C19 C21 -179.5(7) . . . . ?
C19 C18 C20 C23 0.7(11) . . . . ?
C17 C18 C20 C23 -179.6(7) . . . . ?
C18 C19 C21 C22 -2.0(11) . . . . ?
C18 C19 C21 C21 178.9(8) . . . 2_855 ?
C19 C21 C22 C23 3.0(11) . . . . ?
C21 C21 C22 C23 -177.9(8) 2_855 . . . ?
C18 C20 C23 C22 0.3(10) . . . . ?
C18 C20 C23 C24 -179.1(6) . . . . ?
C21 C22 C23 C20 -2.2(11) . . . . ?
C21 C22 C23 C24 177.2(6) . . . . ?
C20 C23 C24 O11 -4.1(10) . . . . ?
C22 C23 C24 O11 176.6(6) . . . . ?
C20 C23 C24 O12 176.1(6) . . . . ?
C22 C23 C24 O12 -3.3(10) . . . . ?
O2A C7 O1 Zn2 -19.4(7) . . . 6_575 ?
O2B C7 O1 Zn2 36.7(10) . . . 6_575 ?
C6 C7 O1 Zn2 -173.8(3) . . . 6_575 ?
O4 C8 O3 Zn1 14.5(9) . . . 1_455 ?
C4 C8 O3 Zn1 -167.1(4) . . . 1_455 ?
O3 C8 O4 Zn2 47.0(16) . . . 5_675 ?
C4 C8 O4 Zn2 -131.4(11) . . . 5_675 ?
O6 C9 O5 Na1 57.6(12) . . . . ?
C10 C9 O5 Na1 -120.6(8) . . . . ?
O5 Na1 O5 C9 61.9(9) 2_755 . . . ?
O2B Na1 O5 C9 -29.5(10) 6_576 . . . ?
O2B Na1 O5 C9 152.6(9) 5_775 . . . ?
O2A Na1 O5 C9 -179.5(9) 5_775 . . . ?
O2A Na1 O5 C9 -57.1(9) 6_576 . . . ?
O5 C9 O6 Zn2 14.4(9) . . . . ?
C10 C9 O6 Zn2 -167.4(4) . . . . ?
O1 Zn2 O6 C9 -103.1(5) 6_576 . . . ?
O12 Zn2 O6 C9 45.1(5) 3_455 . . . ?
O4 Zn2 O6 C9 156.3(5) 5_675 . . . ?
O7 C16 O8 Zn1 12.1(10) . . . . ?
C15 C16 O8 Zn1 -171.5(4) . . . . ?
O10 Zn1 O8 C16 70.7(6) . . . . ?
O3 Zn1 O8 C16 -66.7(6) 1_655 . . . ?
O11 Zn1 O8 C16 169.0(6) 7_765 . . . ?
O9B C17 O10 Zn1 18.6(13) . . . . ?
O9A C17 O10 Zn1 -17.7(13) . . . . ?
C18 C17 O10 Zn1 -176.3(5) . . . . ?
O8 Zn1 O10 C17 -90.9(6) . . . . ?
O3 Zn1 O10 C17 53.7(6) 1_655 . . . ?
O11 Zn1 O10 C17 167.7(6) 7_765 . . . ?
O12 C24 O11 Zn1 -24.7(11) . . . 7_765 ?
C23 C24 O11 Zn1 155.5(5) . . . 7_765 ?
O11 C24 O12 Zn2 -23.3(10) . . . 3_545 ?
C23 C24 O12 Zn2 156.5(4) . . . 3_545 ?
O1 C7 O2A Na1 106.7(10) . . . 5_775 ?
O2B C7 O2A Na1 1.8(10) . . . 5_775 ?
C6 C7 O2A Na1 -97.7(11) . . . 5_775 ?
O1 C7 O2B Na1 -103.2(15) . . . 5_775 ?
O2A C7 O2B Na1 -1.9(11) . . . 5_775 ?
C6 C7 O2B Na1 104.8(14) . . . 5_775 ?

_diffrn_measured_fraction_theta_max 0.996
_diffrn_reflns_theta_full        22.93
_diffrn_measured_fraction_theta_full 0.996
_refine_diff_density_max         1.063
_refine_diff_density_min         -0.342
_refine_diff_density_rms         0.082
# SQUEEZE RESULTS (APPEND TO CIF)
# Note: Data are Listed for all Voids in the P1 Unit Cell
# i.e. Centre of Gravity, Solvent Accessible Volume,
# Recovered number of Electrons in the Void and
# Details about the Squeezed Material
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 -0.065 0.078 0.697 4718 329 ' '
_platon_squeeze_details          
;
;
