# Electronic Supplementary Material (ESI) for Chemical Communications.
# This journal is © The Royal Society of Chemistry 2018

####################################################################### 
# 
# 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_1
_database_code_depnum_ccdc_archive 'CCDC 1864684'
_audit_update_record             
;
2018-08-30 deposited with the CCDC.
2018-11-15 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT306_1                   
;
PROBLEM: Isolated Oxygen Atom (H-atoms Missing ?) ....... O3 Check
RESPONSE: Hydrogen atoms associated with the solvate water molecules 
could not be located in the e-map but they were included in the final 
formula.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C24 N20 O2 W6, 11(H2 O), 10(K)'
_chemical_formula_sum            'C24 H22 K10 N20 O13 W6'
_chemical_formula_weight         2292.72

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
K K 0.2009 0.2494 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
W W -0.8490 6.8722 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 21/c'
_symmetry_space_group_name_Hall  '-P 2ybc'

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

_cell_length_a                   17.8574(5)
_cell_length_b                   16.6740(5)
_cell_length_c                   22.6906(5)
_cell_angle_alpha                90.00
_cell_angle_beta                 126.841(2)
_cell_angle_gamma                90.00
_cell_volume                     5407.0(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9988
_cell_measurement_theta_min      2.44
_cell_measurement_theta_max      27.48

_exptl_crystal_description       prism
_exptl_crystal_colour            black
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.05
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.816
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             4176
_exptl_absorpt_coefficient_mu    13.553
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.1156
_exptl_absorpt_correction_T_max  0.5506
_exptl_absorpt_process_details   'SADABS (Bruker, 2004)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker Nonius X8Apex CCD area-detector'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean 25
_diffrn_standards_number         0
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        0
_diffrn_reflns_number            47393
_diffrn_reflns_av_R_equivalents  0.0495
_diffrn_reflns_av_sigmaI/netI    0.0507
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         1.66
_diffrn_reflns_theta_max         27.54
_reflns_number_total             12439
_reflns_number_gt                9623
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'APEX2 (Bruker, 2004)'
_computing_cell_refinement       'SAINT (Bruker, 2004)'
_computing_data_reduction        'SAINT (Bruker, 2004)'
_computing_structure_solution    'SHELXTL (Bruker, 2004)'
_computing_structure_refinement  'SHELXTL (Bruker, 2004)'
_computing_molecular_graphics    'SHELXTL (Bruker, 2004)'
_computing_publication_material  'SHELXTL (Bruker, 2004)'

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

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0339P)²+14.7528P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   ?
_refine_ls_hydrogen_treatment    ?
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         12439
_refine_ls_number_parameters     658
_refine_ls_number_restraints     49
_refine_ls_R_factor_all          0.0530
_refine_ls_R_factor_gt           0.0348
_refine_ls_wR_factor_ref         0.0836
_refine_ls_wR_factor_gt          0.0779
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_restrained_S_all      1.051
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
W1 W 0.25233(2) 0.391743(16) -0.026449(16) 0.00922(7) Uani 1 1 d . . .
W2 W 0.08918(2) 0.305448(16) -0.074886(16) 0.00949(7) Uani 1 1 d . . .
W3 W 0.25229(2) 0.280397(16) 0.066195(16) 0.00893(7) Uani 1 1 d . . .
W4 W 0.23946(2) 0.228890(16) -0.059321(16) 0.00956(7) Uani 1 1 d . . .
W5 W 0.40237(2) 0.206043(17) 0.082645(17) 0.01162(7) Uani 1 1 d . . .
W6 W 0.23873(2) 0.117921(16) 0.031827(16) 0.00980(7) Uani 1 1 d . . .
K1 K -0.01442(18) 0.58995(12) -0.09373(15) 0.0431(6) Uani 1 1 d . . .
K2 K 0.04605(15) 0.54152(11) -0.26245(11) 0.0317(5) Uani 1 1 d . . .
K3 K 0.24523(13) 0.36660(12) -0.24583(10) 0.0269(4) Uani 1 1 d . . .
K4 K -0.12652(15) 0.35043(13) -0.32654(11) 0.0326(5) Uani 1 1 d . . .
K5 K 0.23898(16) 0.57578(13) 0.20828(12) 0.0369(5) Uani 1 1 d . . .
K6 K 0.43245(19) 0.41340(13) 0.36909(14) 0.0455(6) Uani 1 1 d . . .
K7 K 0.48359(13) 0.66481(10) 0.07811(10) 0.0213(4) Uani 1 1 d . . .
K8 K 0.52339(14) 0.47402(11) 0.23563(10) 0.0270(4) Uani 1 1 d . . .
K9 K 0.75545(17) 0.29385(13) 0.37909(13) 0.0423(6) Uani 1 1 d . . .
K10 K -0.02158(13) 0.33617(10) -0.42387(10) 0.0194(4) Uani 1 1 d . . .
O1 O 0.3421(4) 0.3067(3) 0.0327(3) 0.0265(14) Uani 1 1 d . . .
O2 O 0.1490(4) 0.2040(3) -0.0259(3) 0.0256(14) Uani 1 1 d . . .
O3 O 0.0471(4) 0.7166(3) -0.1463(3) 0.0217(13) Uani 1 1 d . . .
O4 O 0.2073(6) 0.5321(4) -0.2572(4) 0.059(2) Uani 1 1 d . . .
O5 O -0.2890(5) 0.3852(4) -0.3499(4) 0.0415(17) Uani 1 1 d . . .
O6 O -0.2138(5) 0.3207(4) -0.4842(3) 0.0369(16) Uani 1 1 d . . .
O7 O 0.3220(8) 0.6481(6) 0.1490(6) 0.093(3) Uani 1 1 d U . .
O8 O 0.2537(5) 0.7477(5) 0.2415(4) 0.0478(19) Uani 1 1 d . . .
O9 O 0.2330(5) 0.4218(4) 0.2487(3) 0.0369(17) Uani 1 1 d . . .
O10 O 0.4514(5) 0.7974(4) 0.1324(3) 0.0360(16) Uani 1 1 d . . .
O11 O 0.2899(6) 0.7005(4) -0.0507(5) 0.058(2) Uani 1 1 d . . .
O12 O 0.5975(6) 0.4306(5) 0.1558(5) 0.074(3) Uani 1 1 d . . .
O13 O -0.0885(5) 0.3900(4) -0.5741(4) 0.0477(19) Uani 1 1 d . . .
N1 N 0.1481(5) 0.5681(4) -0.1074(4) 0.0224(16) Uani 1 1 d . . .
N2 N 0.3736(6) 0.4413(4) -0.0904(4) 0.0290(18) Uani 1 1 d . . .
N3 N 0.3879(5) 0.5348(4) 0.0940(4) 0.0266(17) Uani 1 1 d . . .
N4 N -0.0591(5) 0.4499(4) -0.1900(4) 0.0254(17) Uani 1 1 d . . .
N5 N -0.0843(5) 0.2083(4) -0.2247(4) 0.0263(17) Uani 1 1 d . . .
N6 N -0.0608(5) 0.2935(4) -0.0328(4) 0.0262(17) Uani 1 1 d . . .
N7 N 0.3810(5) 0.3834(4) 0.2214(4) 0.0266(17) Uani 1 1 d . . .
N8 N 0.1474(5) 0.2653(4) 0.1467(4) 0.0198(15) Uani 1 1 d . . .
N9 N 0.3485(5) 0.2405(4) -0.1360(4) 0.0235(16) Uani 1 1 d . . .
N10 N 0.1050(5) 0.1301(4) -0.2163(4) 0.0242(16) Uani 1 1 d . . .
N11 N 0.5540(5) 0.0583(4) 0.1866(4) 0.0261(17) Uani 1 1 d . . .
N12 N 0.5637(7) 0.2469(7) 0.0577(5) 0.061(3) Uani 1 1 d . . .
N13 N 0.5700(5) 0.3006(4) 0.2381(4) 0.0309(18) Uani 1 1 d . . .
N14 N 0.3406(5) -0.0591(4) 0.1092(4) 0.0264(17) Uani 1 1 d . . .
N15 N 0.0996(5) -0.0187(4) -0.0973(4) 0.0269(17) Uani 1 1 d . . .
N16 N 0.1215(6) 0.0613(4) 0.0967(4) 0.0308(19) Uani 1 1 d . . .
N17 N 0.1251(6) 0.4998(4) 0.0636(4) 0.0284(18) Uani 1 1 d . . .
N18 N 0.0752(5) 0.3646(4) -0.2611(4) 0.0185(15) Uani 1 1 d . . .
N19 N 0.4110(5) 0.1387(4) 0.2663(4) 0.0238(16) Uani 1 1 d . . .
N20 N 0.3768(6) 0.0115(5) -0.0491(5) 0.045(2) Uani 1 1 d . . .
C1 C 0.1795(5) 0.5068(4) -0.0831(4) 0.0153(16) Uani 1 1 d . . .
C2 C 0.3308(6) 0.4258(4) -0.0681(4) 0.0181(17) Uani 1 1 d . . .
C3 C 0.3418(6) 0.4834(5) 0.0545(4) 0.0172(17) Uani 1 1 d . . .
C4 C -0.0069(5) 0.4031(4) -0.1464(4) 0.0131(15) Uani 1 1 d U . .
C5 C -0.0226(5) 0.2405(4) -0.1725(4) 0.0158(16) Uani 1 1 d . . .
C6 C -0.0100(5) 0.2995(4) -0.0477(4) 0.0123(15) Uani 1 1 d . . .
C7 C 0.3367(5) 0.3500(4) 0.1656(4) 0.0161(17) Uani 1 1 d . . .
C8 C 0.1809(5) 0.2691(4) 0.1165(4) 0.0130(16) Uani 1 1 d . . .
C9 C 0.3129(6) 0.2383(4) -0.1072(5) 0.0182(17) Uani 1 1 d . . .
C10 C 0.1515(5) 0.1610(4) -0.1590(5) 0.0167(17) Uani 1 1 d . . .
C11 C 0.5005(5) 0.1073(4) 0.1494(4) 0.0157(16) Uani 1 1 d . . .
C12 C 0.5057(6) 0.2269(6) 0.0623(5) 0.030(2) Uani 1 1 d . . .
C13 C 0.5117(6) 0.2683(5) 0.1854(5) 0.0196(18) Uani 1 1 d . . .
C14 C 0.3100(5) 0.0029(4) 0.0855(4) 0.0145(16) Uani 1 1 d . . .
C15 C 0.1474(5) 0.0290(4) -0.0535(4) 0.0137(15) Uani 1 1 d U . .
C16 C 0.1613(6) 0.0801(4) 0.0740(4) 0.0179(17) Uani 1 1 d . . .
C17 C 0.1693(5) 0.3889(4) 0.0115(4) 0.0097(15) Uani 1 1 d D . .
C18 C 0.1470(5) 0.4486(4) 0.0404(4) 0.0155(16) Uani 1 1 d D . .
C19 C 0.1548(5) 0.3310(4) -0.1254(4) 0.0105(15) Uani 1 1 d . . .
C20 C 0.1119(5) 0.3487(4) -0.1995(4) 0.0101(15) Uani 1 1 d U . .
C21 C 0.3361(5) 0.1777(4) 0.1320(4) 0.0096(14) Uani 1 1 d U . .
C22 C 0.3777(5) 0.1579(4) 0.2055(4) 0.0141(16) Uani 1 1 d U . .
C23 C 0.3239(5) 0.1230(4) -0.0037(4) 0.0108(15) Uani 1 1 d U . .
C24 C 0.3513(6) 0.0627(5) -0.0289(4) 0.0209(18) Uani 1 1 d U . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
W1 O1 1.950(6) . ?
W1 C19 2.101(7) . ?
W1 C17 2.114(7) . ?
W1 C3 2.178(8) . ?
W1 C2 2.185(8) . ?
W1 C1 2.240(7) . ?
W1 W4 2.7887(4) . ?
W1 W3 2.8050(4) . ?
W1 W2 2.8155(4) . ?
W2 O2 1.953(6) . ?
W2 C17 2.113(7) . ?
W2 C19 2.115(7) . ?
W2 C5 2.182(8) . ?
W2 C6 2.200(7) . ?
W2 C4 2.212(7) . ?
W2 W3 2.7793(4) . ?
W2 W4 2.7964(4) . ?
W3 C7 2.153(8) . ?
W3 C8 2.170(7) . ?
W3 C21 2.173(7) . ?
W3 O2 2.184(6) . ?
W3 O1 2.192(6) . ?
W3 C17 2.192(6) . ?
W3 W5 2.7676(4) . ?
W3 W6 2.7892(4) . ?
W3 W4 2.8494(4) . ?
W4 C10 2.146(8) . ?
W4 C9 2.152(8) . ?
W4 C23 2.168(7) . ?
W4 C19 2.171(7) . ?
W4 O1 2.193(6) . ?
W4 O2 2.196(6) . ?
W4 W6 2.7809(4) . ?
W4 W5 2.7834(4) . ?
W5 O1 1.949(6) . ?
W5 C23 2.104(7) . ?
W5 C21 2.113(7) . ?
W5 C12 2.182(8) . ?
W5 C13 2.207(8) . ?
W5 C11 2.212(8) . ?
W5 W6 2.8261(4) . ?
W6 O2 1.956(6) . ?
W6 C21 2.107(7) . ?
W6 C23 2.108(7) . ?
W6 C16 2.193(8) . ?
W6 C15 2.196(7) . ?
W6 C14 2.219(7) . ?
K1 N17 2.869(7) 3_565 ?
K1 O3 2.944(6) . ?
K1 N4 2.963(7) . ?
K1 N6 3.033(8) 3_565 ?
K1 N8 3.080(7) 3_565 ?
K1 N1 3.120(7) . ?
K1 N17 3.247(8) . ?
K1 C18 3.304(8) 3_565 ?
K1 O9 3.344(7) 3_565 ?
K1 C6 3.493(8) 3_565 ?
K1 K10 4.138(3) 2_554 ?
K1 K5 4.240(3) 3_565 ?
K2 O4 2.814(9) . ?
K2 N15 2.824(7) 2_554 ?
K2 N10 2.851(7) 2_554 ?
K2 N1 2.865(7) . ?
K2 N5 2.920(7) 2_554 ?
K2 N18 2.992(6) . ?
K2 C10 3.472(8) 2_554 ?
K2 C15 3.481(8) 2_554 ?
K3 N19 2.806(7) 4_565 ?
K3 O4 2.815(8) . ?
K3 N18 2.842(7) . ?
K3 N9 2.920(7) . ?
K3 N8 2.953(7) 4_565 ?
K3 N2 3.090(8) . ?
K3 N16 3.102(8) 4_565 ?
K3 C22 3.180(8) 4_565 ?
K3 C8 3.448(7) 4_565 ?
K3 C16 3.523(8) 4_565 ?
K3 K7 4.013(3) 3_665 ?
K3 K8 4.800(3) 3_665 ?
K4 O5 2.681(7) . ?
K4 O3 2.901(6) 2_544 ?
K4 O6 2.965(7) . ?
K4 N18 2.971(7) . ?
K4 N15 2.996(8) 2_554 ?
K4 N4 3.053(7) . ?
K4 N5 3.072(7) . ?
K4 K5 4.383(3) 3_565 ?
K5 O9 2.750(6) . ?
K5 O7 2.803(9) . ?
K5 O5 2.847(7) 3_565 ?
K5 N17 2.918(8) . ?
K5 O8 2.936(8) . ?
K5 N11 2.978(8) 2_655 ?
K5 N4 3.013(8) 3_565 ?
K5 C4 3.506(8) 3_565 ?
K5 K9 4.171(3) 2_655 ?
K5 K1 4.240(3) 3_565 ?
K5 K4 4.383(3) 3_565 ?
K6 N11 2.805(7) 2_655 ?
K6 O10 2.850(7) 2_645 ?
K6 N20 2.865(9) 4_566 ?
K6 O9 2.915(7) . ?
K6 N7 2.938(7) . ?
K6 N9 2.938(7) 4_566 ?
K6 C24 3.412(8) 4_566 ?
K6 K7 4.326(3) 2_645 ?
K7 O10 2.755(6) . ?
K7 N19 2.868(7) 2_655 ?
K7 N9 2.913(7) 3_665 ?
K7 N3 2.913(7) . ?
K7 O11 2.956(9) . ?
K7 N2 2.977(8) 3_665 ?
K7 N12 3.042(9) 3_665 ?
K7 K3 4.013(3) 3_665 ?
K7 K6 4.326(3) 2_655 ?
K8 N7 2.805(7) . ?
K8 N3 2.808(7) . ?
K8 N14 2.889(7) 2_655 ?
K8 O12 2.904(9) . ?
K8 N19 2.996(7) 2_655 ?
K8 N13 3.000(8) . ?
K8 N11 3.149(8) 2_655 ?
K8 C14 3.328(8) 2_655 ?
K8 C22 3.388(8) 2_655 ?
K8 K3 4.800(3) 3_665 ?
K9 O7 2.678(10) 2_645 ?
K9 O8 2.751(7) 2_645 ?
K9 O13 2.813(8) 1_656 ?
K9 O6 2.842(7) 1_656 ?
K9 N13 2.917(8) . ?
K9 N6 3.003(8) 4_666 ?
K9 N14 3.094(7) 2_655 ?
K9 K10 3.872(3) 1_656 ?
K9 K5 4.171(3) 2_645 ?
K10 O3 2.754(5) 2_544 ?
K10 O6 2.844(7) . ?
K10 N16 2.870(8) 4_565 ?
K10 N8 2.955(7) 4_565 ?
K10 N15 2.972(7) 2_554 ?
K10 O13 2.995(7) . ?
K10 N18 3.032(7) . ?
K10 N6 3.033(7) 4_565 ?
K10 K9 3.872(3) 1_454 ?
K10 K1 4.138(3) 2_544 ?
O3 K10 2.754(5) 2_554 ?
O3 K4 2.901(6) 2_554 ?
O5 K5 2.847(7) 3_565 ?
O6 K9 2.843(7) 1_454 ?
O7 K9 2.678(9) 2_655 ?
O8 K9 2.751(7) 2_655 ?
O9 K1 3.344(7) 3_565 ?
O10 K6 2.850(7) 2_655 ?
O13 K9 2.813(8) 1_454 ?
N1 C1 1.136(9) . ?
N2 C2 1.169(10) . ?
N2 K7 2.977(8) 3_665 ?
N3 C3 1.154(10) . ?
N4 C4 1.162(9) . ?
N4 K5 3.013(8) 3_565 ?
N5 C5 1.158(10) . ?
N5 K2 2.920(7) 2_544 ?
N6 C6 1.146(10) . ?
N6 K9 3.003(8) 4_465 ?
N6 K1 3.033(8) 3_565 ?
N6 K10 3.033(7) 4_566 ?
N7 C7 1.156(10) . ?
N8 C8 1.151(9) . ?
N8 K3 2.953(7) 4_566 ?
N8 K10 2.955(7) 4_566 ?
N8 K1 3.080(7) 3_565 ?
N9 C9 1.154(10) . ?
N9 K7 2.913(7) 3_665 ?
N9 K6 2.938(7) 4_565 ?
N10 C10 1.162(10) . ?
N10 K2 2.851(7) 2_544 ?
N11 C11 1.151(10) . ?
N11 K6 2.805(7) 2_645 ?
N11 K5 2.978(8) 2_645 ?
N11 K8 3.149(8) 2_645 ?
N12 C12 1.151(12) . ?
N12 K7 3.042(9) 3_665 ?
N13 C13 1.144(10) . ?
N14 C14 1.142(9) . ?
N14 K8 2.889(7) 2_645 ?
N14 K9 3.094(7) 2_645 ?
N15 C15 1.154(9) . ?
N15 K2 2.824(7) 2_544 ?
N15 K10 2.971(7) 2_544 ?
N15 K4 2.996(8) 2_544 ?
N16 C16 1.145(10) . ?
N16 K10 2.870(8) 4_566 ?
N16 K3 3.102(8) 4_566 ?
N17 C18 1.186(9) . ?
N17 K1 2.869(7) 3_565 ?
N18 C20 1.164(9) . ?
N19 C22 1.173(9) . ?
N19 K3 2.806(7) 4_566 ?
N19 K7 2.868(7) 2_645 ?
N19 K8 2.996(7) 2_645 ?
N20 C24 1.182(10) . ?
N20 K6 2.865(9) 4_565 ?
C4 K5 3.506(8) 3_565 ?
C6 K1 3.493(8) 3_565 ?
C8 K3 3.448(7) 4_566 ?
C10 K2 3.471(8) 2_544 ?
C14 K8 3.328(8) 2_645 ?
C15 K2 3.481(8) 2_544 ?
C16 K3 3.522(8) 4_566 ?
C17 C18 1.376(7) . ?
C18 K1 3.304(8) 3_565 ?
C19 C20 1.400(10) . ?
C21 C22 1.399(10) . ?
C22 K3 3.180(8) 4_566 ?
C22 K8 3.388(8) 2_645 ?
C23 C24 1.382(10) . ?
C24 K6 3.412(8) 4_565 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 W1 C19 101.4(3) . . ?
O1 W1 C17 101.0(2) . . ?
C19 W1 C17 95.1(3) . . ?
O1 W1 C3 92.6(3) . . ?
C19 W1 C3 163.5(3) . . ?
C17 W1 C3 90.6(3) . . ?
O1 W1 C2 90.6(3) . . ?
C19 W1 C2 89.9(3) . . ?
C17 W1 C2 166.1(3) . . ?
C3 W1 C2 81.2(3) . . ?
O1 W1 C1 166.5(3) . . ?
C19 W1 C1 88.6(3) . . ?
C17 W1 C1 86.9(3) . . ?
C3 W1 C1 76.3(3) . . ?
C2 W1 C1 80.3(3) . . ?
O1 W1 W4 51.51(17) . . ?
C19 W1 W4 50.34(19) . . ?
C17 W1 W4 97.00(17) . . ?
C3 W1 W4 144.1(2) . . ?
C2 W1 W4 96.23(19) . . ?
C1 W1 W4 138.93(19) . . ?
O1 W1 W3 51.12(17) . . ?
C19 W1 W3 96.24(19) . . ?
C17 W1 W3 50.58(18) . . ?
C3 W1 W3 99.32(19) . . ?
C2 W1 W3 141.7(2) . . ?
C1 W1 W3 137.4(2) . . ?
W4 W1 W3 61.246(10) . . ?
O1 W1 W2 97.36(17) . . ?
C19 W1 W2 48.32(19) . . ?
C17 W1 W2 48.21(18) . . ?
C3 W1 W2 138.8(2) . . ?
C2 W1 W2 138.3(2) . . ?
C1 W1 W2 96.0(2) . . ?
W4 W1 W2 59.862(10) . . ?
W3 W1 W2 59.273(10) . . ?
O2 W2 C17 102.0(2) . . ?
O2 W2 C19 101.0(3) . . ?
C17 W2 C19 94.7(3) . . ?
O2 W2 C5 90.2(3) . . ?
C17 W2 C5 165.3(3) . . ?
C19 W2 C5 91.0(3) . . ?
O2 W2 C6 93.4(2) . . ?
C17 W2 C6 88.9(3) . . ?
C19 W2 C6 164.1(3) . . ?
C5 W2 C6 82.1(3) . . ?
O2 W2 C4 167.0(3) . . ?
C17 W2 C4 89.5(3) . . ?
C19 W2 C4 83.8(3) . . ?
C5 W2 C4 77.6(3) . . ?
C6 W2 C4 80.7(3) . . ?
O2 W2 W3 51.43(17) . . ?
C17 W2 W3 51.05(18) . . ?
C19 W2 W3 96.65(19) . . ?
C5 W2 W3 141.6(2) . . ?
C6 W2 W3 97.71(19) . . ?
C4 W2 W3 140.54(19) . . ?
O2 W2 W4 51.43(17) . . ?
C17 W2 W4 96.80(18) . . ?
C19 W2 W4 50.14(19) . . ?
C5 W2 W4 97.2(2) . . ?
C6 W2 W4 144.80(18) . . ?
C4 W2 W4 133.81(19) . . ?
W3 W2 W4 61.464(11) . . ?
O2 W2 W1 97.79(17) . . ?
C17 W2 W1 48.24(18) . . ?
C19 W2 W1 47.88(19) . . ?
C5 W2 W1 138.8(2) . . ?
C6 W2 W1 137.09(19) . . ?
C4 W2 W1 94.36(19) . . ?
W3 W2 W1 60.174(10) . . ?
W4 W2 W1 59.593(10) . . ?
C7 W3 C8 76.0(3) . . ?
C7 W3 C21 86.8(3) . . ?
C8 W3 C21 87.1(3) . . ?
C7 W3 O2 167.6(3) . . ?
C8 W3 O2 91.6(2) . . ?
C21 W3 O2 92.1(2) . . ?
C7 W3 O1 93.3(3) . . ?
C8 W3 O1 169.3(3) . . ?
C21 W3 O1 92.9(2) . . ?
O2 W3 O1 99.1(2) . . ?
C7 W3 C17 87.7(3) . . ?
C8 W3 C17 87.7(3) . . ?
C21 W3 C17 173.2(3) . . ?
O2 W3 C17 92.5(2) . . ?
O1 W3 C17 91.4(2) . . ?
C7 W3 W5 95.0(2) . . ?
C8 W3 W5 135.80(19) . . ?
C21 W3 W5 48.84(18) . . ?
O2 W3 W5 93.53(16) . . ?
O1 W3 W5 44.41(15) . . ?
C17 W3 W5 135.80(18) . . ?
C7 W3 W2 135.88(19) . . ?
C8 W3 W2 94.5(2) . . ?
C21 W3 W2 136.39(18) . . ?
O2 W3 W2 44.36(15) . . ?
O1 W3 W2 92.85(16) . . ?
C17 W3 W2 48.54(18) . . ?
W5 W3 W2 118.948(13) . . ?
C7 W3 W6 134.90(19) . . ?
C8 W3 W6 94.75(18) . . ?
C21 W3 W6 48.32(18) . . ?
O2 W3 W6 44.26(15) . . ?
O1 W3 W6 93.22(15) . . ?
C17 W3 W6 136.68(18) . . ?
W5 W3 W6 61.139(10) . . ?
W2 W3 W6 88.201(12) . . ?
C7 W3 W1 96.54(19) . . ?
C8 W3 W1 135.73(19) . . ?
C21 W3 W1 136.62(18) . . ?
O2 W3 W1 92.78(15) . . ?
O1 W3 W1 43.83(15) . . ?
C17 W3 W1 48.14(18) . . ?
W5 W3 W1 87.832(12) . . ?
W2 W3 W1 60.552(10) . . ?
W6 W3 W1 118.186(13) . . ?
C7 W3 W4 142.8(2) . . ?
C8 W3 W4 141.2(2) . . ?
C21 W3 W4 93.35(18) . . ?
O2 W3 W4 49.61(15) . . ?
O1 W3 W4 49.50(15) . . ?
C17 W3 W4 93.47(17) . . ?
W5 W3 W4 59.388(11) . . ?
W2 W3 W4 59.562(10) . . ?
W6 W3 W4 59.090(10) . . ?
W1 W3 W4 59.096(10) . . ?
C10 W4 C9 77.8(3) . . ?
C10 W4 C23 89.9(3) . . ?
C9 W4 C23 86.1(3) . . ?
C10 W4 C19 85.4(3) . . ?
C9 W4 C19 88.7(3) . . ?
C23 W4 C19 173.6(3) . . ?
C10 W4 O1 168.8(3) . . ?
C9 W4 O1 91.3(3) . . ?
C23 W4 O1 92.0(2) . . ?
C19 W4 O1 91.8(2) . . ?
C10 W4 O2 92.3(2) . . ?
C9 W4 O2 170.0(3) . . ?
C23 W4 O2 92.5(2) . . ?
C19 W4 O2 92.0(2) . . ?
O1 W4 O2 98.7(2) . . ?
C10 W4 W6 96.1(2) . . ?
C9 W4 W6 134.4(2) . . ?
C23 W4 W6 48.50(18) . . ?
C19 W4 W6 136.32(19) . . ?
O1 W4 W6 93.41(15) . . ?
O2 W4 W6 44.37(15) . . ?
C10 W4 W5 138.1(2) . . ?
C9 W4 W5 93.7(2) . . ?
C23 W4 W5 48.34(19) . . ?
C19 W4 W5 135.93(18) . . ?
O1 W4 W5 44.15(15) . . ?
O2 W4 W5 92.82(15) . . ?
W6 W4 W5 61.049(11) . . ?
C10 W4 W1 133.4(2) . . ?
C9 W4 W1 94.95(19) . . ?
C23 W4 W1 136.05(19) . . ?
C19 W4 W1 48.16(18) . . ?
O1 W4 W1 44.09(15) . . ?
O2 W4 W1 92.96(15) . . ?
W6 W4 W1 119.034(13) . . ?
W5 W4 W1 87.844(12) . . ?
C10 W4 W2 93.9(2) . . ?
C9 W4 W2 137.0(2) . . ?
C23 W4 W2 136.50(18) . . ?
C19 W4 W2 48.42(19) . . ?
O1 W4 W2 92.36(16) . . ?
O2 W4 W2 44.05(15) . . ?
W6 W4 W2 88.026(12) . . ?
W5 W4 W2 117.814(13) . . ?
W1 W4 W2 60.545(10) . . ?
C10 W4 W3 141.5(2) . . ?
C9 W4 W3 140.7(2) . . ?
C23 W4 W3 93.03(18) . . ?
C19 W4 W3 93.39(18) . . ?
O1 W4 W3 49.45(15) . . ?
O2 W4 W3 49.24(15) . . ?
W6 W4 W3 59.376(10) . . ?
W5 W4 W3 58.843(10) . . ?
W1 W4 W3 59.658(10) . . ?
W2 W4 W3 58.973(11) . . ?
O1 W5 C23 101.4(3) . . ?
O1 W5 C21 102.2(3) . . ?
C23 W5 C21 94.3(3) . . ?
O1 W5 C12 89.0(3) . . ?
C23 W5 C12 94.8(3) . . ?
C21 W5 C12 163.9(3) . . ?
O1 W5 C13 92.3(3) . . ?
C23 W5 C13 165.3(3) . . ?
C21 W5 C13 88.1(3) . . ?
C12 W5 C13 79.9(3) . . ?
O1 W5 C11 166.9(3) . . ?
C23 W5 C11 87.7(3) . . ?
C21 W5 C11 86.3(3) . . ?
C12 W5 C11 80.8(3) . . ?
C13 W5 C11 77.9(3) . . ?
O1 W5 W3 51.91(17) . . ?
C23 W5 W3 96.8(2) . . ?
C21 W5 W3 50.75(19) . . ?
C12 W5 W3 140.7(2) . . ?
C13 W5 W3 95.9(2) . . ?
C11 W5 W3 137.0(2) . . ?
O1 W5 W4 51.63(17) . . ?
C23 W5 W4 50.35(19) . . ?
C21 W5 W4 96.61(19) . . ?
C12 W5 W4 99.4(2) . . ?
C13 W5 W4 143.8(2) . . ?
C11 W5 W4 138.05(19) . . ?
W3 W5 W4 61.768(11) . . ?
O1 W5 W6 97.75(17) . . ?
C23 W5 W6 47.92(19) . . ?
C21 W5 W6 47.88(19) . . ?
C12 W5 W6 142.7(3) . . ?
C13 W5 W6 136.0(2) . . ?
C11 W5 W6 95.36(19) . . ?
W3 W5 W6 59.808(10) . . ?
W4 W5 W6 59.433(10) . . ?
O2 W6 C21 101.0(3) . . ?
O2 W6 C23 101.7(3) . . ?
C21 W6 C23 94.3(3) . . ?
O2 W6 C16 91.5(3) . . ?
C21 W6 C16 89.7(3) . . ?
C23 W6 C16 165.2(3) . . ?
O2 W6 C15 91.6(3) . . ?
C21 W6 C15 165.1(3) . . ?
C23 W6 C15 90.8(3) . . ?
C16 W6 C15 82.0(3) . . ?
O2 W6 C14 166.4(3) . . ?
C21 W6 C14 89.2(3) . . ?
C23 W6 C14 86.4(3) . . ?
C16 W6 C14 79.4(3) . . ?
C15 W6 C14 77.2(3) . . ?
O2 W6 W4 51.75(17) . . ?
C21 W6 W4 96.82(19) . . ?
C23 W6 W4 50.37(19) . . ?
C16 W6 W4 143.2(2) . . ?
C15 W6 W4 97.22(19) . . ?
C14 W6 W4 136.6(2) . . ?
O2 W6 W3 51.21(16) . . ?
C21 W6 W3 50.38(19) . . ?
C23 W6 W3 96.09(19) . . ?
C16 W6 W3 97.44(19) . . ?
C15 W6 W3 142.81(19) . . ?
C14 W6 W3 139.55(19) . . ?
W4 W6 W3 61.533(10) . . ?
O2 W6 W5 97.07(17) . . ?
C21 W6 W5 48.05(19) . . ?
C23 W6 W5 47.79(19) . . ?
C16 W6 W5 137.7(2) . . ?
C15 W6 W5 138.62(19) . . ?
C14 W6 W5 96.49(19) . . ?
W4 W6 W5 59.518(10) . . ?
W3 W6 W5 59.053(10) . . ?
N17 K1 O3 161.6(2) 3_565 . ?
N17 K1 N4 81.1(2) 3_565 . ?
O3 K1 N4 105.53(18) . . ?
N17 K1 N6 94.9(2) 3_565 3_565 ?
O3 K1 N6 82.12(17) . 3_565 ?
N4 K1 N6 166.9(2) . 3_565 ?
N17 K1 N8 91.3(2) 3_565 3_565 ?
O3 K1 N8 70.55(17) . 3_565 ?
N4 K1 N8 121.7(2) . 3_565 ?
N6 K1 N8 70.59(19) 3_565 3_565 ?
N17 K1 N1 141.0(2) 3_565 . ?
O3 K1 N1 56.50(16) . . ?
N4 K1 N1 71.92(19) . . ?
N6 K1 N1 105.0(2) 3_565 . ?
N8 K1 N1 126.73(18) 3_565 . ?
N17 K1 N17 71.4(2) 3_565 . ?
O3 K1 N17 123.43(19) . . ?
N4 K1 N17 97.80(18) . . ?
N6 K1 N17 69.12(19) 3_565 . ?
N8 K1 N17 134.09(18) 3_565 . ?
N1 K1 N17 84.77(19) . . ?
N17 K1 C18 20.63(17) 3_565 3_565 ?
O3 K1 C18 144.25(17) . 3_565 ?
N4 K1 C18 100.45(19) . 3_565 ?
N6 K1 C18 77.63(19) 3_565 3_565 ?
N8 K1 C18 75.03(18) 3_565 3_565 ?
N1 K1 C18 158.01(19) . 3_565 ?
N17 K1 C18 75.72(19) . 3_565 ?
N17 K1 O9 71.55(19) 3_565 3_565 ?
O3 K1 O9 95.74(17) . 3_565 ?
N4 K1 O9 63.24(18) . 3_565 ?
N6 K1 O9 127.46(19) 3_565 3_565 ?
N8 K1 O9 59.65(17) 3_565 3_565 ?
N1 K1 O9 117.23(17) . 3_565 ?
N17 K1 O9 140.47(18) . 3_565 ?
C18 K1 O9 74.49(17) 3_565 3_565 ?
N17 K1 C6 77.35(19) 3_565 3_565 ?
O3 K1 C6 97.01(16) . 3_565 ?
N4 K1 C6 157.45(19) . 3_565 ?
N6 K1 C6 18.55(18) 3_565 3_565 ?
N8 K1 C6 65.64(17) 3_565 3_565 ?
N1 K1 C6 122.80(19) . 3_565 ?
N17 K1 C6 69.12(17) . 3_565 ?
C18 K1 C6 59.25(17) 3_565 3_565 ?
O9 K1 C6 114.89(17) 3_565 3_565 ?
N17 K1 K10 125.72(15) 3_565 2_554 ?
O3 K1 K10 41.66(11) . 2_554 ?
N4 K1 K10 144.20(15) . 2_554 ?
N6 K1 K10 47.00(14) 3_565 2_554 ?
N8 K1 K10 45.48(13) 3_565 2_554 ?
N1 K1 K10 91.47(13) . 2_554 ?
N17 K1 K10 112.39(14) . 2_554 ?
C18 K1 K10 105.17(13) 3_565 2_554 ?
O9 K1 K10 100.11(12) 3_565 2_554 ?
C6 K1 K10 57.40(12) 3_565 2_554 ?
N17 K1 K5 43.34(15) 3_565 3_565 ?
O3 K1 K5 131.68(14) . 3_565 ?
N4 K1 K5 45.28(15) . 3_565 ?
N6 K1 K5 135.82(15) 3_565 3_565 ?
N8 K1 K5 92.70(14) 3_565 3_565 ?
N1 K1 K5 117.20(13) . 3_565 ?
N17 K1 K5 101.09(14) . 3_565 ?
C18 K1 K5 58.38(13) 3_565 3_565 ?
O9 K1 K5 40.40(11) 3_565 3_565 ?
C6 K1 K5 117.28(13) 3_565 3_565 ?
K10 K1 K5 137.82(8) 2_554 3_565 ?
O4 K2 N15 104.8(2) . 2_554 ?
O4 K2 N10 151.2(2) . 2_554 ?
N15 K2 N10 81.7(2) 2_554 2_554 ?
O4 K2 N1 94.3(2) . . ?
N15 K2 N1 156.5(2) 2_554 . ?
N10 K2 N1 88.2(2) 2_554 . ?
O4 K2 N5 76.3(2) . 2_554 ?
N15 K2 N5 109.8(2) 2_554 2_554 ?
N10 K2 N5 75.2(2) 2_554 2_554 ?
N1 K2 N5 87.8(2) . 2_554 ?
O4 K2 N18 77.1(2) . . ?
N15 K2 N18 72.42(19) 2_554 . ?
N10 K2 N18 130.8(2) 2_554 . ?
N1 K2 N18 99.27(19) . . ?
N5 K2 N18 152.9(2) 2_554 . ?
O4 K2 C10 138.9(2) . 2_554 ?
N15 K2 C10 70.11(19) 2_554 2_554 ?
N10 K2 C10 17.97(18) 2_554 2_554 ?
N1 K2 C10 104.1(2) . 2_554 ?
N5 K2 C10 68.22(19) 2_554 2_554 ?
N18 K2 C10 133.47(19) . 2_554 ?
O4 K2 C15 107.6(2) . 2_554 ?
N15 K2 C15 17.40(18) 2_554 2_554 ?
N10 K2 C15 70.76(19) 2_554 2_554 ?
N1 K2 C15 157.8(2) . 2_554 ?
N5 K2 C15 93.5(2) 2_554 2_554 ?
N18 K2 C15 89.68(18) . 2_554 ?
C10 K2 C15 56.40(18) 2_554 2_554 ?
N19 K3 O4 102.8(2) 4_565 . ?
N19 K3 N18 177.3(2) 4_565 . ?
O4 K3 N18 79.6(2) . . ?
N19 K3 N9 78.7(2) 4_565 . ?
O4 K3 N9 141.1(2) . . ?
N18 K3 N9 100.2(2) . . ?
N19 K3 N8 97.2(2) 4_565 4_565 ?
O4 K3 N8 131.5(2) . 4_565 ?
N18 K3 N8 80.24(19) . 4_565 ?
N9 K3 N8 85.8(2) . 4_565 ?
N19 K3 N2 83.3(2) 4_565 . ?
O4 K3 N2 71.5(2) . . ?
N18 K3 N2 98.68(19) . . ?
N9 K3 N2 70.09(19) . . ?
N8 K3 N2 155.37(19) 4_565 . ?
N19 K3 N16 96.1(2) 4_565 4_565 ?
O4 K3 N16 63.2(2) . 4_565 ?
N18 K3 N16 83.8(2) . 4_565 ?
N9 K3 N16 155.7(2) . 4_565 ?
N8 K3 N16 71.19(19) 4_565 4_565 ?
N2 K3 N16 133.4(2) . 4_565 ?
N19 K3 C22 21.45(19) 4_565 4_565 ?
O4 K3 C22 106.4(2) . 4_565 ?
N18 K3 C22 156.7(2) . 4_565 ?
N9 K3 C22 89.0(2) . 4_565 ?
N8 K3 C22 79.21(19) 4_565 4_565 ?
N2 K3 C22 104.5(2) . 4_565 ?
N16 K3 C22 79.3(2) 4_565 4_565 ?
N19 K3 C8 80.03(19) 4_565 4_565 ?
O4 K3 C8 129.0(2) . 4_565 ?
N18 K3 C8 97.50(18) . 4_565 ?
N9 K3 C8 89.85(19) . 4_565 ?
N8 K3 C8 18.75(17) 4_565 4_565 ?
N2 K3 C8 156.1(2) . 4_565 ?
N16 K3 C8 65.84(18) 4_565 4_565 ?
C22 K3 C8 60.94(19) 4_565 4_565 ?
N19 K3 C16 79.1(2) 4_565 4_565 ?
O4 K3 C16 74.6(2) . 4_565 ?
N18 K3 C16 100.46(19) . 4_565 ?
N9 K3 C16 141.64(19) . 4_565 ?
N8 K3 C16 66.45(18) 4_565 4_565 ?
N2 K3 C16 136.99(19) . 4_565 ?
N16 K3 C16 18.53(17) 4_565 4_565 ?
C22 K3 C16 61.09(19) 4_565 4_565 ?
C8 K3 C16 55.63(17) 4_565 4_565 ?
N19 K3 K7 45.61(15) 4_565 3_665 ?
O4 K3 K7 107.57(18) . 3_665 ?
N18 K3 K7 135.04(15) . 3_665 ?
N9 K3 K7 46.45(14) . 3_665 ?
N8 K3 K7 117.77(15) 4_565 3_665 ?
N2 K3 K7 47.39(14) . 3_665 ?
N16 K3 K7 139.80(15) 4_565 3_665 ?
C22 K3 K7 65.59(15) 4_565 3_665 ?
C8 K3 K7 109.29(14) 4_565 3_665 ?
C16 K3 K7 124.42(14) 4_565 3_665 ?
N19 K3 K8 35.48(14) 4_565 3_665 ?
O4 K3 K8 67.34(19) . 3_665 ?
N18 K3 K8 146.93(14) . 3_665 ?
N9 K3 K8 105.83(15) . 3_665 ?
N8 K3 K8 121.21(14) 4_565 3_665 ?
N2 K3 K8 72.17(14) . 3_665 ?
N16 K3 K8 80.74(15) 4_565 3_665 ?
C22 K3 K8 44.76(14) 4_565 3_665 ?
C8 K3 K8 102.50(13) 4_565 3_665 ?
C16 K3 K8 70.79(14) 4_565 3_665 ?
K7 K3 K8 60.80(4) 3_665 3_665 ?
O5 K4 O3 137.1(2) . 2_544 ?
O5 K4 O6 94.2(2) . . ?
O3 K4 O6 65.51(17) 2_544 . ?
O5 K4 N18 157.8(2) . . ?
O3 K4 N18 64.32(17) 2_544 . ?
O6 K4 N18 102.65(19) . . ?
O5 K4 N15 104.9(2) . 2_554 ?
O3 K4 N15 99.77(18) 2_544 2_554 ?
O6 K4 N15 64.88(18) . 2_554 ?
N18 K4 N15 70.39(19) . 2_554 ?
O5 K4 N4 78.7(2) . . ?
O3 K4 N4 133.44(19) 2_544 . ?
O6 K4 N4 156.53(19) . . ?
N18 K4 N4 80.07(19) . . ?
N15 K4 N4 95.03(19) 2_554 . ?
O5 K4 N5 93.7(2) . . ?
O3 K4 N5 68.66(18) 2_544 . ?
O6 K4 N5 119.58(19) . . ?
N18 K4 N5 90.5(2) . . ?
N15 K4 N5 160.8(2) 2_554 . ?
N4 K4 N5 83.45(18) . . ?
O5 K4 K5 38.90(15) . 3_565 ?
O3 K4 K5 143.87(13) 2_544 3_565 ?
O6 K4 K5 133.10(15) . 3_565 ?
N18 K4 K5 122.36(14) . 3_565 ?
N15 K4 K5 116.08(15) 2_554 3_565 ?
N4 K4 K5 43.37(14) . 3_565 ?
N5 K4 K5 75.61(14) . 3_565 ?
O9 K5 O7 134.3(2) . . ?
O9 K5 O5 83.42(19) . 3_565 ?
O7 K5 O5 123.1(3) . 3_565 ?
O9 K5 N17 80.2(2) . . ?
O7 K5 N17 81.9(3) . . ?
O5 K5 N17 154.8(2) 3_565 . ?
O9 K5 O8 147.3(2) . . ?
O7 K5 O8 73.2(2) . . ?
O5 K5 O8 64.42(19) 3_565 . ?
N17 K5 O8 127.4(2) . . ?
O9 K5 N11 85.4(2) . 2_655 ?
O7 K5 N11 70.5(3) . 2_655 ?
O5 K5 N11 73.7(2) 3_565 2_655 ?
N17 K5 N11 123.5(2) . 2_655 ?
O8 K5 N11 90.7(2) . 2_655 ?
O9 K5 N4 70.24(19) . 3_565 ?
O7 K5 N4 145.3(3) . 3_565 ?
O5 K5 N4 77.0(2) 3_565 3_565 ?
N17 K5 N4 79.5(2) . 3_565 ?
O8 K5 N4 95.6(2) . 3_565 ?
N11 K5 N4 143.7(2) 2_655 3_565 ?
O9 K5 C4 87.38(19) . 3_565 ?
O7 K5 C4 127.1(3) . 3_565 ?
O5 K5 C4 85.66(19) 3_565 3_565 ?
N17 K5 C4 74.58(19) . 3_565 ?
O8 K5 C4 84.67(19) . 3_565 ?
N11 K5 C4 158.8(2) 2_655 3_565 ?
N4 K5 C4 18.62(16) 3_565 3_565 ?
O9 K5 K9 171.56(15) . 2_655 ?
O7 K5 K9 39.35(19) . 2_655 ?
O5 K5 K9 104.88(14) 3_565 2_655 ?
N17 K5 K9 92.46(15) . 2_655 ?
O8 K5 K9 41.12(14) . 2_655 ?
N11 K5 K9 95.38(14) 2_655 2_655 ?
N4 K5 K9 112.69(14) 3_565 2_655 ?
C4 K5 K9 94.68(13) 3_565 2_655 ?
O9 K5 K1 52.00(15) . 3_565 ?
O7 K5 K1 124.3(2) . 3_565 ?
O5 K5 K1 112.46(15) 3_565 3_565 ?
N17 K5 K1 42.45(15) . 3_565 ?
O8 K5 K1 134.43(16) . 3_565 ?
N11 K5 K1 133.72(15) 2_655 3_565 ?
N4 K5 K1 44.33(14) 3_565 3_565 ?
C4 K5 K1 50.47(12) 3_565 3_565 ?
K9 K5 K1 124.07(7) 2_655 3_565 ?
O9 K5 K4 86.23(13) . 3_565 ?
O7 K5 K4 137.9(2) . 3_565 ?
O5 K5 K4 36.25(14) 3_565 3_565 ?
N17 K5 K4 123.00(16) . 3_565 ?
O8 K5 K4 64.67(14) . 3_565 ?
N11 K5 K4 109.99(16) 2_655 3_565 ?
N4 K5 K4 44.09(14) 3_565 3_565 ?
C4 K5 K4 49.56(13) 3_565 3_565 ?
K9 K5 K4 101.34(6) 2_655 3_565 ?
K1 K5 K4 86.91(6) 3_565 3_565 ?
N11 K6 O10 108.6(2) 2_655 2_645 ?
N11 K6 N20 94.2(2) 2_655 4_566 ?
O10 K6 N20 147.3(2) 2_645 4_566 ?
N11 K6 O9 85.6(2) 2_655 . ?
O10 K6 O9 120.7(2) 2_645 . ?
N20 K6 O9 83.3(2) 4_566 . ?
N11 K6 N7 71.6(2) 2_655 . ?
O10 K6 N7 66.6(2) 2_645 . ?
N20 K6 N7 145.1(3) 4_566 . ?
O9 K6 N7 64.44(19) . . ?
N11 K6 N9 156.2(2) 2_655 4_566 ?
O10 K6 N9 76.41(19) 2_645 4_566 ?
N20 K6 N9 92.3(2) 4_566 4_566 ?
O9 K6 N9 72.4(2) . 4_566 ?
N7 K6 N9 90.2(2) . 4_566 ?
N11 K6 C24 113.1(2) 2_655 4_566 ?
O10 K6 C24 134.0(2) 2_645 4_566 ?
N20 K6 C24 19.3(2) 4_566 4_566 ?
O9 K6 C24 81.55(19) . 4_566 ?
N7 K6 C24 145.5(2) . 4_566 ?
N9 K6 C24 73.4(2) 4_566 4_566 ?
N11 K6 K7 147.28(17) 2_655 2_645 ?
O10 K6 K7 38.69(13) 2_645 2_645 ?
N20 K6 K7 115.87(16) 4_566 2_645 ?
O9 K6 K7 109.35(14) . 2_645 ?
N7 K6 K7 88.41(15) . 2_645 ?
N9 K6 K7 42.11(14) 4_566 2_645 ?
C24 K6 K7 98.13(15) 4_566 2_645 ?
O10 K7 N19 74.3(2) . 2_655 ?
O10 K7 N9 78.3(2) . 3_665 ?
N19 K7 N9 77.8(2) 2_655 3_665 ?
O10 K7 N3 104.3(2) . . ?
N19 K7 N3 74.67(19) 2_655 . ?
N9 K7 N3 150.4(2) 3_665 . ?
O10 K7 O11 81.2(2) . . ?
N19 K7 O11 139.7(2) 2_655 . ?
N9 K7 O11 127.9(2) 3_665 . ?
N3 K7 O11 81.2(2) . . ?
O10 K7 N2 146.3(2) . 3_665 ?
N19 K7 N2 84.3(2) 2_655 3_665 ?
N9 K7 N2 71.8(2) 3_665 3_665 ?
N3 K7 N2 94.6(2) . 3_665 ?
O11 K7 N2 129.9(2) . 3_665 ?
O10 K7 N12 93.4(3) . 3_665 ?
N19 K7 N12 154.0(3) 2_655 3_665 ?
N9 K7 N12 77.3(2) 3_665 3_665 ?
N3 K7 N12 131.2(3) . 3_665 ?
O11 K7 N12 56.7(2) . 3_665 ?
N2 K7 N12 94.9(2) 3_665 3_665 ?
O10 K7 K3 97.89(14) . 3_665 ?
N19 K7 K3 44.35(15) 2_655 3_665 ?
N9 K7 K3 46.60(14) 3_665 3_665 ?
N3 K7 K3 104.44(15) . 3_665 ?
O11 K7 K3 174.36(16) . 3_665 ?
N2 K7 K3 49.81(15) 3_665 3_665 ?
N12 K7 K3 117.91(19) 3_665 3_665 ?
O10 K7 K6 40.30(15) . 2_655 ?
N19 K7 K6 86.66(14) 2_655 2_655 ?
N9 K7 K6 42.56(14) 3_665 2_655 ?
N3 K7 K6 144.13(16) . 2_655 ?
O11 K7 K6 94.99(15) . 2_655 ?
N2 K7 K6 114.10(15) 3_665 2_655 ?
N12 K7 K6 69.9(2) 3_665 2_655 ?
K3 K7 K6 80.89(6) 3_665 2_655 ?
N7 K8 N3 87.9(2) . . ?
N7 K8 N14 94.5(2) . 2_655 ?
N3 K8 N14 169.0(2) . 2_655 ?
N7 K8 O12 121.0(2) . . ?
N3 K8 O12 77.2(2) . . ?
N14 K8 O12 110.4(2) 2_655 . ?
N7 K8 N19 145.8(2) . 2_655 ?
N3 K8 N19 74.2(2) . 2_655 ?
N14 K8 N19 98.2(2) 2_655 2_655 ?
O12 K8 N19 83.7(2) . 2_655 ?
N7 K8 N13 72.8(2) . . ?
N3 K8 N13 114.1(2) . . ?
N14 K8 N13 76.8(2) 2_655 . ?
O12 K8 N13 63.0(2) . . ?
N19 K8 N13 141.0(2) 2_655 . ?
N7 K8 N11 68.47(19) . 2_655 ?
N3 K8 N11 96.5(2) . 2_655 ?
N14 K8 N11 74.5(2) 2_655 2_655 ?
O12 K8 N11 167.9(2) . 2_655 ?
N19 K8 N11 84.59(19) 2_655 2_655 ?
N13 K8 N11 129.0(2) . 2_655 ?
N7 K8 C14 107.7(2) . 2_655 ?
N3 K8 C14 150.48(19) . 2_655 ?
N14 K8 C14 19.58(17) 2_655 2_655 ?
O12 K8 C14 112.8(2) . 2_655 ?
N19 K8 C14 79.27(19) 2_655 2_655 ?
N13 K8 C14 94.68(19) . 2_655 ?
N11 K8 C14 67.91(19) 2_655 2_655 ?
N7 K8 C22 139.0(2) . 2_655 ?
N3 K8 C22 90.70(19) . 2_655 ?
N14 K8 C22 80.44(19) 2_655 2_655 ?
O12 K8 C22 98.4(2) . 2_655 ?
N19 K8 C22 20.00(17) 2_655 2_655 ?
N13 K8 C22 142.4(2) . 2_655 ?
N11 K8 C22 71.04(18) 2_655 2_655 ?
C14 K8 C22 60.96(18) 2_655 2_655 ?
N7 K8 K3 176.81(17) . 3_665 ?
N3 K8 K3 88.93(15) . 3_665 ?
N14 K8 K3 88.68(16) 2_655 3_665 ?
O12 K8 K3 57.80(18) . 3_665 ?
N19 K8 K3 32.91(14) 2_655 3_665 ?
N13 K8 K3 108.17(16) . 3_665 ?
N11 K8 K3 112.32(13) 2_655 3_665 ?
C14 K8 K3 75.33(14) 2_655 3_665 ?
C22 K8 K3 41.38(13) 2_655 3_665 ?
O7 K9 O8 78.2(3) 2_645 2_645 ?
O7 K9 O13 149.4(3) 2_645 1_656 ?
O8 K9 O13 89.4(2) 2_645 1_656 ?
O7 K9 O6 97.9(2) 2_645 1_656 ?
O8 K9 O6 170.7(2) 2_645 1_656 ?
O13 K9 O6 89.9(2) 1_656 1_656 ?
O7 K9 N13 71.9(3) 2_645 . ?
O8 K9 N13 64.5(2) 2_645 . ?
O13 K9 N13 127.5(2) 1_656 . ?
O6 K9 N13 122.7(2) 1_656 . ?
O7 K9 N6 85.4(3) 2_645 4_666 ?
O8 K9 N6 85.2(2) 2_645 4_666 ?
O13 K9 N6 65.5(2) 1_656 4_666 ?
O6 K9 N6 86.1(2) 1_656 4_666 ?
N13 K9 N6 144.9(2) . 4_666 ?
O7 K9 N14 120.4(3) 2_645 2_655 ?
O8 K9 N14 127.0(2) 2_645 2_655 ?
O13 K9 N14 89.5(2) 1_656 2_655 ?
O6 K9 N14 62.31(18) 1_656 2_655 ?
N13 K9 N14 74.9(2) . 2_655 ?
N6 K9 N14 140.2(2) 4_666 2_655 ?
O7 K9 K10 117.8(3) 2_645 1_656 ?
O8 K9 K10 127.30(17) 2_645 1_656 ?
O13 K9 K10 50.22(15) 1_656 1_656 ?
O6 K9 K10 47.11(14) 1_656 1_656 ?
N13 K9 K10 164.67(17) . 1_656 ?
N6 K9 K10 50.44(14) 4_666 1_656 ?
N14 K9 K10 89.75(14) 2_655 1_656 ?
O7 K9 K5 41.58(19) 2_645 2_645 ?
O8 K9 K5 44.58(17) 2_645 2_645 ?
O13 K9 K5 112.06(16) 1_656 2_645 ?
O6 K9 K5 127.74(15) 1_656 2_645 ?
N13 K9 K5 81.23(16) . 2_645 ?
N6 K9 K5 64.26(14) 4_666 2_645 ?
N14 K9 K5 154.71(16) 2_655 2_645 ?
K10 K9 K5 113.99(7) 1_656 2_645 ?
O3 K10 O6 69.05(18) 2_544 . ?
O3 K10 N16 141.0(2) 2_544 4_565 ?
O6 K10 N16 146.3(2) . 4_565 ?
O3 K10 N8 75.03(18) 2_544 4_565 ?
O6 K10 N8 138.98(19) . 4_565 ?
N16 K10 N8 74.5(2) 4_565 4_565 ?
O3 K10 N15 103.86(19) 2_544 2_554 ?
O6 K10 N15 66.66(19) . 2_554 ?
N16 K10 N15 86.9(2) 4_565 2_554 ?
N8 K10 N15 143.5(2) 4_565 2_554 ?
O3 K10 O13 141.57(19) 2_544 . ?
O6 K10 O13 86.3(2) . . ?
N16 K10 O13 73.5(2) 4_565 . ?
N8 K10 O13 111.7(2) 4_565 . ?
N15 K10 O13 91.96(19) 2_554 . ?
O3 K10 N18 65.18(17) 2_544 . ?
O6 K10 N18 104.04(19) . . ?
N16 K10 N18 84.6(2) 4_565 . ?
N8 K10 N18 77.18(18) 4_565 . ?
N15 K10 N18 69.88(19) 2_554 . ?
O13 K10 N18 152.43(19) . . ?
O3 K10 N6 85.29(18) 2_544 4_565 ?
O6 K10 N6 85.46(19) . 4_565 ?
N16 K10 N6 107.8(2) 4_565 4_565 ?
N8 K10 N6 72.27(19) 4_565 4_565 ?
N15 K10 N6 144.2(2) 2_554 4_565 ?
O13 K10 N6 63.03(19) . 4_565 ?
N18 K10 N6 142.03(19) . 4_565 ?
O3 K10 K9 97.10(13) 2_544 1_454 ?
O6 K10 K9 47.07(14) . 1_454 ?
N16 K10 K9 119.69(17) 4_565 1_454 ?
N8 K10 K9 122.03(14) 4_565 1_454 ?
N15 K10 K9 94.46(15) 2_554 1_454 ?
O13 K10 K9 46.21(15) . 1_454 ?
N18 K10 K9 151.08(15) . 1_454 ?
N6 K10 K9 49.76(14) 4_565 1_454 ?
O3 K10 K1 45.27(12) 2_544 2_544 ?
O6 K10 K1 91.69(14) . 2_544 ?
N16 K10 K1 120.24(15) 4_565 2_544 ?
N8 K10 K1 47.99(14) 4_565 2_544 ?
N15 K10 K1 148.56(16) 2_554 2_544 ?
O13 K10 K1 109.87(14) . 2_544 ?
N18 K10 K1 95.48(13) . 2_544 ?
N6 K10 K1 46.98(14) 4_565 2_544 ?
K9 K10 K1 85.60(6) 1_454 2_544 ?
W5 O1 W1 165.1(3) . . ?
W5 O1 W3 83.7(2) . . ?
W1 O1 W3 85.1(2) . . ?
W5 O1 W4 84.2(2) . . ?
W1 O1 W4 84.4(2) . . ?
W3 O1 W4 81.05(19) . . ?
W2 O2 W6 164.9(3) . . ?
W2 O2 W3 84.2(2) . . ?
W6 O2 W3 84.5(2) . . ?
W2 O2 W4 84.5(2) . . ?
W6 O2 W4 83.9(2) . . ?
W3 O2 W4 81.2(2) . . ?
K10 O3 K4 80.66(15) 2_554 2_554 ?
K10 O3 K1 93.07(17) 2_554 . ?
K4 O3 K1 170.7(2) 2_554 . ?
K2 O4 K3 104.0(3) . . ?
K4 O5 K5 104.8(2) . 3_565 ?
K9 O6 K10 85.83(19) 1_454 . ?
K9 O6 K4 163.9(3) 1_454 . ?
K10 O6 K4 78.12(17) . . ?
K9 O7 K5 99.1(3) 2_655 . ?
K9 O8 K5 94.3(2) 2_655 . ?
K5 O9 K6 95.0(2) . . ?
K5 O9 K1 87.61(18) . 3_565 ?
K6 O9 K1 169.3(2) . 3_565 ?
K7 O10 K6 101.0(2) . 2_655 ?
K9 O13 K10 83.57(19) 1_454 . ?
C1 N1 K2 102.9(5) . . ?
C1 N1 K1 106.0(6) . . ?
K2 N1 K1 101.3(2) . . ?
C2 N2 K7 124.9(6) . 3_665 ?
C2 N2 K3 100.0(6) . . ?
K7 N2 K3 82.81(18) 3_665 . ?
C3 N3 K8 110.1(6) . . ?
C3 N3 K7 131.0(6) . . ?
K8 N3 K7 104.1(2) . . ?
C4 N4 K1 100.2(5) . . ?
C4 N4 K5 105.5(6) . 3_565 ?
K1 N4 K5 90.4(2) . 3_565 ?
C4 N4 K4 97.3(5) . . ?
K1 N4 K4 160.8(3) . . ?
K5 N4 K4 92.5(2) 3_565 . ?
C5 N5 K2 114.0(6) . 2_544 ?
C5 N5 K4 93.8(5) . . ?
K2 N5 K4 128.7(2) 2_544 . ?
C6 N6 K9 126.0(6) . 4_465 ?
C6 N6 K1 104.1(6) . 3_565 ?
K9 N6 K1 128.9(3) 4_465 3_565 ?
C6 N6 K10 117.7(6) . 4_566 ?
K9 N6 K10 79.80(17) 4_465 4_566 ?
K1 N6 K10 86.02(19) 3_565 4_566 ?
C7 N7 K8 111.3(6) . . ?
C7 N7 K6 150.6(6) . . ?
K8 N7 K6 97.8(2) . . ?
C8 N8 K3 105.7(5) . 4_566 ?
C8 N8 K10 115.8(6) . 4_566 ?
K3 N8 K10 85.86(18) 4_566 4_566 ?
C8 N8 K1 106.2(5) . 3_565 ?
K3 N8 K1 147.3(2) 4_566 3_565 ?
K10 N8 K1 86.53(19) 4_566 3_565 ?
C9 N9 K7 122.0(6) . 3_665 ?
C9 N9 K3 103.0(6) . . ?
K7 N9 K3 86.95(19) 3_665 . ?
C9 N9 K6 113.1(6) . 4_565 ?
K7 N9 K6 95.3(2) 3_665 4_565 ?
K3 N9 K6 135.1(3) . 4_565 ?
C10 N10 K2 112.8(6) . 2_544 ?
C11 N11 K6 122.6(6) . 2_645 ?
C11 N11 K5 127.1(6) . 2_645 ?
K6 N11 K5 92.5(2) 2_645 2_645 ?
C11 N11 K8 106.2(6) . 2_645 ?
K6 N11 K8 93.1(2) 2_645 2_645 ?
K5 N11 K8 110.2(2) 2_645 2_645 ?
C12 N12 K7 120.9(7) . 3_665 ?
C13 N13 K9 148.2(7) . . ?
C13 N13 K8 111.5(6) . . ?
K9 N13 K8 100.2(2) . . ?
C14 N14 K8 102.4(5) . 2_645 ?
C14 N14 K9 128.6(6) . 2_645 ?
K8 N14 K9 98.7(2) 2_645 2_645 ?
C15 N15 K2 115.5(6) . 2_544 ?
C15 N15 K10 126.8(6) . 2_544 ?
K2 N15 K10 105.5(2) 2_544 2_544 ?
C15 N15 K4 135.0(6) . 2_544 ?
K2 N15 K4 88.1(2) 2_544 2_544 ?
K10 N15 K4 75.70(17) 2_544 2_544 ?
C16 N16 K10 119.8(6) . 4_566 ?
C16 N16 K3 102.0(6) . 4_566 ?
K10 N16 K3 84.64(19) 4_566 4_566 ?
C18 N17 K1 100.8(5) . 3_565 ?
C18 N17 K5 128.3(6) . . ?
K1 N17 K5 94.2(2) 3_565 . ?
C18 N17 K1 94.9(6) . . ?
K1 N17 K1 108.6(2) 3_565 . ?
K5 N17 K1 126.4(2) . . ?
C20 N18 K3 93.7(5) . . ?
C20 N18 K4 102.9(5) . . ?
K3 N18 K4 161.6(3) . . ?
C20 N18 K2 101.9(5) . . ?
K3 N18 K2 99.0(2) . . ?
K4 N18 K2 85.52(19) . . ?
C20 N18 K10 157.8(5) . . ?
K3 N18 K10 86.43(18) . . ?
K4 N18 K10 75.17(16) . . ?
K2 N18 K10 100.0(2) . . ?
C22 N19 K3 97.6(5) . 4_566 ?
C22 N19 K7 154.5(6) . 2_645 ?
K3 N19 K7 90.0(2) 4_566 2_645 ?
C22 N19 K8 99.2(5) . 2_645 ?
K3 N19 K8 111.6(2) 4_566 2_645 ?
K7 N19 K8 100.6(2) 2_645 2_645 ?
C24 N20 K6 107.5(6) . 4_565 ?
N1 C1 W1 174.9(7) . . ?
N2 C2 W1 177.7(7) . . ?
N3 C3 W1 175.9(7) . . ?
N4 C4 W2 173.0(7) . . ?
N4 C4 K5 55.9(5) . 3_565 ?
W2 C4 K5 125.3(3) . 3_565 ?
N5 C5 W2 177.3(7) . . ?
N6 C6 W2 177.5(7) . . ?
N6 C6 K1 57.3(5) . 3_565 ?
W2 C6 K1 123.8(3) . 3_565 ?
N7 C7 W3 175.3(7) . . ?
N8 C8 W3 176.1(7) . . ?
N8 C8 K3 55.5(5) . 4_566 ?
W3 C8 K3 123.5(3) . 4_566 ?
N9 C9 W4 176.1(7) . . ?
N10 C10 W4 173.5(7) . . ?
N10 C10 K2 49.2(5) . 2_544 ?
W4 C10 K2 136.0(3) . 2_544 ?
N11 C11 W5 177.0(7) . . ?
N12 C12 W5 170.6(10) . . ?
N13 C13 W5 178.1(8) . . ?
N14 C14 W6 174.9(7) . . ?
N14 C14 K8 58.0(5) . 2_645 ?
W6 C14 K8 126.4(3) . 2_645 ?
N15 C15 W6 178.6(7) . . ?
N15 C15 K2 47.1(5) . 2_544 ?
W6 C15 K2 134.1(3) . 2_544 ?
N16 C16 W6 178.9(7) . . ?
N16 C16 K3 59.5(5) . 4_566 ?
W6 C16 K3 119.5(3) . 4_566 ?
C18 C17 W2 133.6(6) . . ?
C18 C17 W1 130.8(5) . . ?
W2 C17 W1 83.6(2) . . ?
C18 C17 W3 128.1(5) . . ?
W2 C17 W3 80.4(2) . . ?
W1 C17 W3 81.3(2) . . ?
N17 C18 C17 178.1(9) . . ?
N17 C18 K1 58.5(5) . 3_565 ?
C17 C18 K1 120.7(5) . 3_565 ?
C20 C19 W1 133.5(5) . . ?
C20 C19 W2 127.8(5) . . ?
W1 C19 W2 83.8(3) . . ?
C20 C19 W4 130.4(5) . . ?
W1 C19 W4 81.5(2) . . ?
W2 C19 W4 81.4(2) . . ?
N18 C20 C19 178.6(8) . . ?
C22 C21 W6 132.8(5) . . ?
C22 C21 W5 128.2(5) . . ?
W6 C21 W5 84.1(2) . . ?
C22 C21 W3 131.2(5) . . ?
W6 C21 W3 81.3(2) . . ?
W5 C21 W3 80.4(2) . . ?
N19 C22 C21 177.6(8) . . ?
N19 C22 K3 61.0(5) . 4_566 ?
C21 C22 K3 118.1(5) . 4_566 ?
N19 C22 K8 60.8(5) . 2_645 ?
C21 C22 K8 117.5(5) . 2_645 ?
K3 C22 K8 93.85(19) 4_566 2_645 ?
C24 C23 W5 131.3(6) . . ?
C24 C23 W6 130.1(6) . . ?
W5 C23 W6 84.3(3) . . ?
C24 C23 W4 130.3(6) . . ?
W5 C23 W4 81.3(2) . . ?
W6 C23 W4 81.1(3) . . ?
N20 C24 C23 178.5(11) . . ?
N20 C24 K6 53.2(6) . 4_565 ?
C23 C24 K6 126.5(5) . 4_565 ?

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        25.25
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         3.116
_refine_diff_density_min         -2.828
_refine_diff_density_rms         0.279
####################################################################### 
# 
# 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_1_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 1864685'
_audit_update_record             
;
2018-08-30 deposited with the CCDC.
2018-11-15 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT306_1                   
;
PROBLEM: Isolated Oxygen Atom (H-atoms Missing ?) ....... O2 Check
RESPONSE: Hydrogen atoms associated with the solvate water molecules 
could not be located in the e-map but they were included in the final 
formula.
;


_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C16 As4 N16 O2 W6, 8(H2 O), 10(K)'
_chemical_formula_sum            'C16 H16 As4 K10 N16 O10 W6'
_chemical_formula_weight         2386.23

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'
As As 0.0499 2.0058 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
K K 0.2009 0.2494 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
W W -0.8490 6.8722 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 21/c'
_symmetry_space_group_name_Hall  '-P 2ybc'

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

_cell_length_a                   11.8440(3)
_cell_length_b                   17.5913(4)
_cell_length_c                   12.0559(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 107.0840(10)
_cell_angle_gamma                90.00
_cell_volume                     2401.03(10)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    6835
_cell_measurement_theta_min      2.41
_cell_measurement_theta_max      30.00

_exptl_crystal_description       plate
_exptl_crystal_colour            black
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.02
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    3.301
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2140
_exptl_absorpt_coefficient_mu    17.977
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.2216
_exptl_absorpt_correction_T_max  0.7150
_exptl_absorpt_process_details   'SADABS (Bruker, 2004)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker Nonius X8Apex CCD area-detector'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean 25
_diffrn_standards_number         0
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        0
_diffrn_reflns_number            18389
_diffrn_reflns_av_R_equivalents  0.0358
_diffrn_reflns_av_sigmaI/netI    0.0473
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         1.80
_diffrn_reflns_theta_max         30.06
_reflns_number_total             7005
_reflns_number_gt                5798
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'APEX2 (Bruker, 2004)'
_computing_cell_refinement       'SAINT (Bruker, 2004)'
_computing_data_reduction        'SAINT (Bruker, 2004)'
_computing_structure_solution    'SHELXTL (Bruker, 2004)'
_computing_structure_refinement  'SHELXTL (Bruker, 2004)'
_computing_molecular_graphics    'SHELXTL (Bruker, 2004)'
_computing_publication_material  'SHELXTL (Bruker, 2004)'

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

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0334P)²+8.6785P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   ?
_refine_ls_hydrogen_treatment    ?
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         7005
_refine_ls_number_parameters     300
_refine_ls_number_restraints     18
_refine_ls_R_factor_all          0.0459
_refine_ls_R_factor_gt           0.0337
_refine_ls_wR_factor_ref         0.0798
_refine_ls_wR_factor_gt          0.0759
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_restrained_S_all      1.051
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
W3 W 0.43326(2) 0.041294(14) 0.56449(2) 0.01335(6) Uani 1 1 d . . .
W2 W 0.36789(2) -0.108400(15) 0.49176(2) 0.01375(6) Uani 1 1 d . . .
W1 W 0.33300(2) 0.017638(15) 0.32523(2) 0.01381(6) Uani 1 1 d . . .
As1 As 0.39638(6) -0.11516(4) 0.29272(6) 0.01736(14) Uani 1 1 d . . .
As2 As 0.22013(7) -0.00295(4) 0.47024(7) 0.02275(16) Uani 1 1 d . . .
O1 O 0.4814(5) 0.0700(3) 0.4074(5) 0.0277(12) Uani 1 1 d . . .
N8 N 0.3438(6) 0.0324(4) 0.8004(6) 0.0282(14) Uani 1 1 d . . .
N7 N 0.2850(5) 0.2021(3) 0.5584(6) 0.0242(13) Uani 1 1 d . . .
C5 C 0.3156(6) -0.1397(4) 0.6440(6) 0.0179(13) Uani 1 1 d . . .
N3 N 0.3918(5) 0.0701(3) 0.0841(5) 0.0222(13) Uani 1 1 d . . .
C3 C 0.3695(6) 0.0475(4) 0.1649(6) 0.0178(13) Uani 1 1 d . . .
C7 C 0.3377(6) 0.1471(4) 0.5593(6) 0.0163(13) Uani 1 1 d . . .
C1 C 0.1607(7) -0.0161(4) 0.2048(7) 0.0255(16) Uani 1 1 d . . .
C6 C 0.4466(6) -0.2210(4) 0.5178(6) 0.0182(13) Uani 1 1 d . . .
C8 C 0.3777(6) 0.0333(4) 0.7203(6) 0.0190(14) Uani 1 1 d . . .
N2 N 0.2094(6) 0.1879(4) 0.2632(6) 0.0294(15) Uani 1 1 d . . .
C2 C 0.2477(6) 0.1283(4) 0.2885(6) 0.0195(14) Uani 1 1 d . . .
N5 N 0.2952(6) -0.1572(4) 0.7288(6) 0.0282(14) Uani 1 1 d . . .
N6 N 0.4936(6) -0.2789(4) 0.5392(6) 0.0263(14) Uani 1 1 d . . .
C4 C 0.2104(6) -0.1771(4) 0.4127(7) 0.0268(16) Uani 1 1 d . . .
N1 N 0.0687(7) -0.0312(5) 0.1420(7) 0.049(2) Uani 1 1 d . . .
N4 N 0.1293(6) -0.2165(5) 0.3732(8) 0.046(2) Uani 1 1 d . . .
K2 K 0.45970(14) 0.21422(9) 0.21315(14) 0.0233(3) Uani 1 1 d . . .
K4 K 0.26573(15) 0.33159(9) 0.38806(16) 0.0283(4) Uani 1 1 d . . .
K6 K -0.38678(18) 0.08064(10) 0.02483(18) 0.0376(4) Uani 1 1 d . . .
K1 K -0.0965(2) 0.02672(19) 0.2908(3) 0.0758(9) Uani 1 1 d . . .
K5 K -0.1286(3) 0.21927(19) -0.1288(3) 0.0424(9) Uani 0.638(5) 1 d P . 2
K3 K 0.0579(4) 0.2551(4) 0.0545(5) 0.0410(17) Uani 0.362(5) 1 d P . 1
O6 O -0.1523(8) 0.1063(5) 0.0778(8) 0.075(3) Uani 1 1 d . . .
O3 O 0.0966(6) 0.3730(5) 0.1762(8) 0.076(3) Uani 1 1 d . . .
O2 O 0.0933(7) 0.1405(6) -0.0087(7) 0.086(3) Uani 1 1 d U . .
O4 O 0.0122(10) 0.3464(9) -0.1125(16) 0.064(6) Uani 0.64(3) 1 d PU . 1
O5 O -0.010(2) 0.3191(15) -0.191(3) 0.074(9) Uani 0.36(3) 1 d PU . 2


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
W3 C7 2.170(7) . ?
W3 C8 2.170(7) . ?
W3 O1 2.184(5) 3_656 ?
W3 O1 2.190(5) . ?
W3 As2 2.5658(8) . ?
W3 As1 2.5850(7) 3_656 ?
W3 W1 2.8091(4) . ?
W3 W2 2.8113(4) . ?
W3 W2 2.8877(4) 3_656 ?
W3 W1 2.8886(4) 3_656 ?
W3 W3 2.9107(5) 3_656 ?
W2 O1 1.961(5) 3_656 ?
W2 C6 2.173(7) . ?
W2 C5 2.173(7) . ?
W2 C4 2.192(8) . ?
W2 As2 2.5108(8) . ?
W2 As1 2.5222(7) . ?
W2 W3 2.8877(4) 3_656 ?
W2 W1 2.9377(4) . ?
W2 K2 4.0029(16) 3_656 ?
W1 O1 1.974(5) . ?
W1 C3 2.166(7) . ?
W1 C2 2.178(7) . ?
W1 C1 2.209(8) . ?
W1 As1 2.5193(7) . ?
W1 As2 2.5195(8) . ?
W1 W3 2.8886(4) 3_656 ?
As1 W3 2.5850(7) 3_656 ?
As1 K2 3.4628(17) 2_645 ?
As1 K5 3.693(3) 3 ?
As1 K6 3.845(2) 3 ?
As2 K1 3.619(3) 3_556 ?
As2 K1 3.774(3) . ?
O1 W2 1.961(5) 3_656 ?
O1 W3 2.184(5) 3_656 ?
O1 K2 3.411(6) . ?
N8 C8 1.149(9) . ?
N8 K6 2.832(7) 3_556 ?
N8 K4 2.876(7) 4_566 ?
N8 K1 2.996(7) 3_556 ?
N7 C7 1.149(9) . ?
N7 K2 2.768(7) 4_566 ?
N7 K3 2.781(8) 4_566 ?
N7 K4 3.030(6) . ?
C5 N5 1.159(9) . ?
C5 K2 3.012(7) 3_656 ?
C5 K5 3.295(7) 2_545 ?
N3 C3 1.152(9) . ?
N3 K6 2.920(6) 1_655 ?
N3 K6 2.952(6) 3 ?
N3 K4 2.955(6) 4_565 ?
N3 K2 2.960(6) . ?
C3 K6 3.260(7) 3 ?
C7 K2 3.148(7) 4_566 ?
C1 N1 1.161(10) . ?
C6 N6 1.153(9) . ?
C6 K2 3.106(7) 3_656 ?
C6 K2 3.478(7) 2_645 ?
N2 C2 1.148(9) . ?
N2 K3 2.879(8) . ?
N2 K4 2.917(7) . ?
N2 K2 3.228(7) . ?
N5 K5 2.946(7) 2_545 ?
N5 K2 2.955(7) 3_656 ?
N5 K6 3.149(7) 3_556 ?
N5 K1 3.246(7) 3_556 ?
N6 K6 2.780(7) 2_545 ?
N6 K4 2.878(7) 3_656 ?
N6 K2 3.090(7) 3_656 ?
N6 K2 3.250(7) 2_645 ?
C4 N4 1.166(10) . ?
C4 K5 3.354(9) 3 ?
C4 K3 3.524(9) 2_545 ?
N1 K1 3.186(10) . ?
N1 K5 3.398(10) 3 ?
N4 K3 2.657(9) 2_545 ?
N4 K5 2.945(10) 3 ?
N4 K5 3.284(10) 2_545 ?
K2 N7 2.768(7) 4_565 ?
K2 N5 2.955(7) 3_656 ?
K2 C5 3.012(7) 3_656 ?
K2 N6 3.090(7) 3_656 ?
K2 C6 3.106(7) 3_656 ?
K2 C7 3.147(7) 4_565 ?
K2 N6 3.250(7) 2_655 ?
K2 As1 3.4627(17) 2_655 ?
K2 C6 3.478(7) 2_655 ?
K4 O2 2.730(8) 4_566 ?
K4 O3 2.839(8) . ?
K4 N8 2.876(7) 4_565 ?
K4 N6 2.878(7) 3_656 ?
K4 N3 2.955(6) 4_566 ?
K4 K2 4.000(2) 4_566 ?
K4 K1 4.232(4) 2 ?
K4 K6 4.249(3) 4_666 ?
K4 K6 4.633(2) 2 ?
K6 O6 2.698(9) . ?
K6 N6 2.780(7) 2 ?
K6 N8 2.832(7) 3_556 ?
K6 N3 2.920(6) 1_455 ?
K6 N3 2.952(6) 3 ?
K6 N5 3.149(7) 3_556 ?
K6 C3 3.260(7) 3 ?
K6 K6 3.829(4) 3_455 ?
K6 As1 3.845(2) 3 ?
K6 K2 4.051(2) 1_455 ?
K6 K4 4.249(3) 4_465 ?
K6 K4 4.633(2) 2_545 ?
K1 O4 2.668(13) 4_566 ?
K1 O3 2.733(10) 2_545 ?
K1 O6 2.827(10) . ?
K1 O5 2.88(3) 4_566 ?
K1 N8 2.996(7) 3_556 ?
K1 N5 3.245(7) 3_556 ?
K1 C8 3.459(7) 3_556 ?
K1 C5 3.536(7) 3_556 ?
K1 As2 3.619(3) 3_556 ?
K1 K4 4.232(4) 2_545 ?
K5 O5 2.50(3) . ?
K5 N4 2.945(10) 3 ?
K5 N5 2.946(7) 2 ?
K5 O2 2.947(10) . ?
K5 O6 3.263(9) . ?
K5 N4 3.284(10) 2 ?
K5 C5 3.295(7) 2 ?
K5 C4 3.354(9) 3 ?
K5 N1 3.398(10) 3 ?
K5 As1 3.693(3) 3 ?
K5 K1 4.612(5) 4_565 ?
K5 K4 4.700(3) 4_565 ?
K3 O2 2.237(13) . ?
K3 O3 2.505(12) . ?
K3 O4 2.508(14) . ?
K3 N4 2.657(9) 2 ?
K3 N7 2.781(8) 4_565 ?
K3 C4 3.524(9) 2 ?
K3 K4 3.913(5) 4_565 ?
K3 K1 4.977(7) 4_565 ?
O3 K1 2.733(10) 2 ?
O2 K4 2.730(8) 4_565 ?
O4 K1 2.668(13) 4_565 ?
O5 K1 2.88(3) 4_565 ?

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
C7 W3 C8 78.0(2) . . ?
C7 W3 O1 170.9(2) . 3_656 ?
C8 W3 O1 93.0(2) . 3_656 ?
C7 W3 O1 92.5(2) . . ?
C8 W3 O1 170.2(2) . . ?
O1 W3 O1 96.57(19) 3_656 . ?
C7 W3 As2 79.07(17) . . ?
C8 W3 As2 81.64(18) . . ?
O1 W3 As2 98.46(14) 3_656 . ?
O1 W3 As2 99.16(14) . . ?
C7 W3 As1 83.49(17) . 3_656 ?
C8 W3 As1 80.33(18) . 3_656 ?
O1 W3 As1 96.44(14) 3_656 3_656 ?
O1 W3 As1 96.27(14) . 3_656 ?
As2 W3 As1 157.11(2) . 3_656 ?
C7 W3 W1 92.16(17) . . ?
C8 W3 W1 137.32(18) . . ?
O1 W3 W1 93.62(14) 3_656 . ?
O1 W3 W1 44.40(14) . . ?
As2 W3 W1 55.684(18) . . ?
As1 W3 W1 140.360(19) 3_656 . ?
C7 W3 W2 134.50(17) . . ?
C8 W3 W2 94.79(18) . . ?
O1 W3 W2 44.04(14) 3_656 . ?
O1 W3 W2 93.68(14) . . ?
As2 W3 W2 55.444(18) . . ?
As1 W3 W2 140.181(19) 3_656 . ?
W1 W3 W2 63.025(9) . . ?
C7 W3 W2 95.57(16) . 3_656 ?
C8 W3 W2 134.87(18) . 3_656 ?
O1 W3 W2 91.75(14) 3_656 3_656 ?
O1 W3 W2 42.74(14) . 3_656 ?
As2 W3 W2 141.64(2) . 3_656 ?
As1 W3 W2 54.548(17) 3_656 3_656 ?
W1 W3 W2 86.980(10) . 3_656 ?
W2 W3 W2 118.592(10) . 3_656 ?
C7 W3 W1 137.95(17) . 3_656 ?
C8 W3 W1 94.10(18) . 3_656 ?
O1 W3 W1 43.07(14) 3_656 3_656 ?
O1 W3 W1 91.32(14) . 3_656 ?
As2 W3 W1 141.27(2) . 3_656 ?
As1 W3 W1 54.466(17) 3_656 3_656 ?
W1 W3 W1 118.577(10) . 3_656 ?
W2 W3 W1 86.920(10) . 3_656 ?
W2 W3 W1 61.138(9) 3_656 3_656 ?
C7 W3 W3 140.65(16) . 3_656 ?
C8 W3 W3 141.31(18) . 3_656 ?
O1 W3 W3 48.39(14) 3_656 3_656 ?
O1 W3 W3 48.19(14) . 3_656 ?
As2 W3 W3 103.30(2) . 3_656 ?
As1 W3 W3 99.579(19) 3_656 3_656 ?
W1 W3 W3 60.634(10) . 3_656 ?
W2 W3 W3 60.588(10) . 3_656 ?
W2 W3 W3 58.003(10) 3_656 3_656 ?
W1 W3 W3 57.942(10) 3_656 3_656 ?
O1 W2 C6 87.2(2) 3_656 . ?
O1 W2 C5 89.9(2) 3_656 . ?
C6 W2 C5 82.2(3) . . ?
O1 W2 C4 164.3(3) 3_656 . ?
C6 W2 C4 80.5(3) . . ?
C5 W2 C4 79.1(3) . . ?
O1 W2 As2 106.83(16) 3_656 . ?
C6 W2 As2 160.93(18) . . ?
C5 W2 As2 84.93(18) . . ?
C4 W2 As2 83.37(19) . . ?
O1 W2 As1 104.71(16) 3_656 . ?
C6 W2 As1 85.58(18) . . ?
C5 W2 As1 160.47(18) . . ?
C4 W2 As1 84.0(2) . . ?
As2 W2 As1 102.74(2) . . ?
O1 W2 W3 50.72(16) 3_656 . ?
C6 W2 W3 137.88(18) . . ?
C5 W2 W3 95.43(18) . . ?
C4 W2 W3 140.68(19) . . ?
As2 W2 W3 57.313(19) . . ?
As1 W2 W3 103.844(19) . . ?
O1 W2 W3 49.30(16) 3_656 3_656 ?
C6 W2 W3 93.53(18) . 3_656 ?
C5 W2 W3 139.14(18) . 3_656 ?
C4 W2 W3 140.5(2) . 3_656 ?
As2 W2 W3 105.40(2) . 3_656 ?
As1 W2 W3 56.603(17) . 3_656 ?
W3 W2 W3 61.408(10) . 3_656 ?
O1 W2 W1 94.77(16) 3_656 . ?
C6 W2 W1 139.04(18) . . ?
C5 W2 W1 138.65(18) . . ?
C4 W2 W1 100.8(2) . . ?
As2 W2 W1 54.405(19) . . ?
As1 W2 W1 54.312(17) . . ?
W3 W2 W1 58.450(9) . . ?
W3 W2 W1 59.446(9) 3_656 . ?
O1 W2 K2 58.37(16) 3_656 3_656 ?
C6 W2 K2 50.37(18) . 3_656 ?
C5 W2 K2 47.87(18) . 3_656 ?
C4 W2 K2 106.1(2) . 3_656 ?
As2 W2 K2 126.41(3) . 3_656 ?
As1 W2 K2 130.37(3) . 3_656 ?
W3 W2 K2 97.85(2) . 3_656 ?
W3 W2 K2 99.24(2) 3_656 3_656 ?
W1 W2 K2 153.00(2) . 3_656 ?
O1 W1 C3 87.3(2) . . ?
O1 W1 C2 88.7(2) . . ?
C3 W1 C2 78.7(2) . . ?
O1 W1 C1 165.8(2) . . ?
C3 W1 C1 82.3(3) . . ?
C2 W1 C1 79.8(3) . . ?
O1 W1 As1 104.41(15) . . ?
C3 W1 As1 86.52(17) . . ?
C2 W1 As1 159.83(19) . . ?
C1 W1 As1 84.8(2) . . ?
O1 W1 As2 107.11(15) . . ?
C3 W1 As2 160.05(18) . . ?
C2 W1 As2 87.74(17) . . ?
C1 W1 As2 80.9(2) . . ?
As1 W1 As2 102.57(3) . . ?
O1 W1 W3 50.93(15) . . ?
C3 W1 W3 138.20(18) . . ?
C2 W1 W3 96.17(19) . . ?
C1 W1 W3 138.1(2) . . ?
As1 W1 W3 103.987(19) . . ?
As2 W1 W3 57.261(19) . . ?
O1 W1 W3 49.07(15) . 3_656 ?
C3 W1 W3 94.71(18) . 3_656 ?
C2 W1 W3 137.66(19) . 3_656 ?
C1 W1 W3 141.4(2) . 3_656 ?
As1 W1 W3 56.616(17) . 3_656 ?
As2 W1 W3 105.14(2) . 3_656 ?
W3 W1 W3 61.423(10) . 3_656 ?
O1 W1 W2 94.78(16) . . ?
C3 W1 W2 140.18(17) . . ?
C2 W1 W2 141.01(17) . . ?
C1 W1 W2 99.44(19) . . ?
As1 W1 W2 54.406(17) . . ?
As2 W1 W2 54.130(19) . . ?
W3 W1 W2 58.525(9) . . ?
W3 W1 W2 59.416(9) 3_656 . ?
W1 As1 W2 71.28(2) . . ?
W1 As1 W3 68.918(19) . 3_656 ?
W2 As1 W3 68.849(19) . 3_656 ?
W1 As1 K2 167.93(4) . 2_645 ?
W2 As1 K2 105.34(3) . 2_645 ?
W3 As1 K2 99.01(3) 3_656 2_645 ?
W1 As1 K5 107.14(5) . 3 ?
W2 As1 K5 101.45(6) . 3 ?
W3 As1 K5 170.18(6) 3_656 3 ?
K2 As1 K5 84.82(6) 2_645 3 ?
W1 As1 K6 94.90(3) . 3 ?
W2 As1 K6 165.19(4) . 3 ?
W3 As1 K6 111.88(4) 3_656 3 ?
K2 As1 K6 89.27(4) 2_645 3 ?
K5 As1 K6 77.05(7) 3 3 ?
W2 As2 W1 71.47(2) . . ?
W2 As2 W3 67.24(2) . . ?
W1 As2 W3 67.05(2) . . ?
W2 As2 K1 105.38(6) . 3_556 ?
W1 As2 K1 171.99(5) . 3_556 ?
W3 As2 K1 104.96(5) . 3_556 ?
W2 As2 K1 134.94(6) . . ?
W1 As2 K1 102.88(5) . . ?
W3 As2 K1 153.42(6) . . ?
K1 As2 K1 84.60(8) 3_556 . ?
W2 O1 W1 170.4(3) 3_656 . ?
W2 O1 W3 85.2(2) 3_656 3_656 ?
W1 O1 W3 87.9(2) . 3_656 ?
W2 O1 W3 88.0(2) 3_656 . ?
W1 O1 W3 84.7(2) . . ?
W3 O1 W3 83.43(19) 3_656 . ?
W2 O1 K2 92.32(19) 3_656 . ?
W1 O1 K2 97.23(19) . . ?
W3 O1 K2 135.3(2) 3_656 . ?
W3 O1 K2 141.2(2) . . ?
C8 N8 K6 127.1(5) . 3_556 ?
C8 N8 K4 121.8(6) . 4_566 ?
K6 N8 K4 108.5(2) 3_556 4_566 ?
C8 N8 K1 104.0(5) . 3_556 ?
K6 N8 K1 88.4(2) 3_556 3_556 ?
K4 N8 K1 92.21(19) 4_566 3_556 ?
C7 N7 K2 98.4(5) . 4_566 ?
C7 N7 K3 138.4(5) . 4_566 ?
K2 N7 K3 113.3(3) 4_566 4_566 ?
C7 N7 K4 124.9(5) . . ?
K2 N7 K4 87.11(17) 4_566 . ?
K3 N7 K4 84.5(2) 4_566 . ?
N5 C5 W2 175.7(6) . . ?
N5 C5 K2 76.0(5) . 3_656 ?
W2 C5 K2 99.8(2) . 3_656 ?
N5 C5 K5 62.5(5) . 2_545 ?
W2 C5 K5 119.8(3) . 2_545 ?
K2 C5 K5 99.8(2) 3_656 2_545 ?
C3 N3 K6 132.3(5) . 1_655 ?
C3 N3 K6 95.0(5) . 3 ?
K6 N3 K6 81.39(16) 1_655 3 ?
C3 N3 K4 133.7(5) . 4_565 ?
K6 N3 K4 92.65(18) 1_655 4_565 ?
K6 N3 K4 103.34(19) 3 4_565 ?
C3 N3 K2 86.9(5) . . ?
K6 N3 K2 87.09(17) 1_655 . ?
K6 N3 K2 166.0(2) 3 . ?
K4 N3 K2 85.10(17) 4_565 . ?
N3 C3 W1 173.5(6) . . ?
N3 C3 K6 64.4(4) . 3 ?
W1 C3 K6 121.9(3) . 3 ?
N7 C7 W3 177.9(6) . . ?
N7 C7 K2 60.5(4) . 4_566 ?
W3 C7 K2 120.2(3) . 4_566 ?
N1 C1 W1 177.5(8) . . ?
N6 C6 W2 175.1(6) . . ?
N6 C6 K2 78.5(5) . 3_656 ?
W2 C6 K2 97.0(2) . 3_656 ?
N6 C6 K2 69.0(4) . 2_645 ?
W2 C6 K2 114.0(3) . 2_645 ?
K2 C6 K2 138.4(2) 3_656 2_645 ?
N8 C8 W3 176.1(6) . . ?
C2 N2 K3 134.6(6) . . ?
C2 N2 K4 130.0(6) . . ?
K3 N2 K4 94.9(2) . . ?
C2 N2 K2 82.4(5) . . ?
K3 N2 K2 98.5(2) . . ?
K4 N2 K2 83.61(18) . . ?
N2 C2 W1 173.9(6) . . ?
C5 N5 K5 97.1(5) . 2_545 ?
C5 N5 K2 81.6(5) . 3_656 ?
K5 N5 K2 109.9(2) 2_545 3_656 ?
C5 N5 K6 128.0(5) . 3_556 ?
K5 N5 K6 134.8(2) 2_545 3_556 ?
K2 N5 K6 83.08(18) 3_656 3_556 ?
C5 N5 K1 94.8(5) . 3_556 ?
K5 N5 K1 96.2(2) 2_545 3_556 ?
K2 N5 K1 154.0(2) 3_656 3_556 ?
K6 N5 K1 78.93(16) 3_556 3_556 ?
C6 N6 K6 124.9(5) . 2_545 ?
C6 N6 K4 136.3(5) . 3_656 ?
K6 N6 K4 97.3(2) 2_545 3_656 ?
C6 N6 K2 80.1(5) . 3_656 ?
K6 N6 K2 122.2(2) 2_545 3_656 ?
K4 N6 K2 86.79(18) 3_656 3_656 ?
C6 N6 K2 91.6(5) . 2_645 ?
K6 N6 K2 84.03(17) 2_545 2_645 ?
K4 N6 K2 81.25(16) 3_656 2_645 ?
K2 N6 K2 152.5(2) 3_656 2_645 ?
N4 C4 W2 177.0(7) . . ?
N4 C4 K5 59.8(6) . 3 ?
W2 C4 K5 121.3(3) . 3 ?
N4 C4 K3 35.2(5) . 2_545 ?
W2 C4 K3 144.9(3) . 2_545 ?
K5 C4 K3 92.3(2) 3 2_545 ?
C1 N1 K1 100.0(7) . . ?
C1 N1 K5 94.9(6) . 3 ?
K1 N1 K5 120.6(3) . 3 ?
C4 N4 K3 130.2(7) . 2_545 ?
C4 N4 K5 100.2(6) . 3 ?
K3 N4 K5 124.6(3) 2_545 3 ?
C4 N4 K5 92.9(7) . 2_545 ?
K3 N4 K5 52.8(2) 2_545 2_545 ?
K5 N4 K5 158.9(3) 3 2_545 ?
N7 K2 N5 145.91(19) 4_565 3_656 ?
N7 K2 N3 93.86(18) 4_565 . ?
N5 K2 N3 85.99(18) 3_656 . ?
N7 K2 C5 167.62(19) 4_565 3_656 ?
N5 K2 C5 22.37(17) 3_656 3_656 ?
N3 K2 C5 89.19(18) . 3_656 ?
N7 K2 N6 109.98(18) 4_565 3_656 ?
N5 K2 N6 90.67(18) 3_656 3_656 ?
N3 K2 N6 140.11(17) . 3_656 ?
C5 K2 N6 74.37(18) 3_656 3_656 ?
N7 K2 C6 130.56(19) 4_565 3_656 ?
N5 K2 C6 74.99(18) 3_656 3_656 ?
N3 K2 C6 122.71(18) . 3_656 ?
C5 K2 C6 55.61(18) 3_656 3_656 ?
N6 K2 C6 21.44(16) 3_656 3_656 ?
N7 K2 C7 21.18(16) 4_565 4_565 ?
N5 K2 C7 130.69(18) 3_656 4_565 ?
N3 K2 C7 110.31(18) . 4_565 ?
C5 K2 C7 148.19(18) 3_656 4_565 ?
N6 K2 C7 101.83(17) 3_656 4_565 ?
C6 K2 C7 123.16(18) 3_656 4_565 ?
N7 K2 N2 69.92(17) 4_565 . ?
N5 K2 N2 143.07(18) 3_656 . ?
N3 K2 N2 81.53(17) . . ?
C5 K2 N2 122.44(17) 3_656 . ?
N6 K2 N2 77.61(17) 3_656 . ?
C6 K2 N2 82.88(18) 3_656 . ?
C7 K2 N2 86.18(16) 4_565 . ?
N7 K2 N6 69.41(18) 4_565 2_655 ?
N5 K2 N6 78.99(18) 3_656 2_655 ?
N3 K2 N6 68.57(16) . 2_655 ?
C5 K2 N6 100.76(18) 3_656 2_655 ?
N6 K2 N6 149.27(16) 3_656 2_655 ?
C6 K2 N6 150.35(18) 3_656 2_655 ?
C7 K2 N6 66.07(16) 4_565 2_655 ?
N2 K2 N6 126.77(17) . 2_655 ?
N7 K2 O1 138.51(16) 4_565 . ?
N5 K2 O1 73.39(16) 3_656 . ?
N3 K2 O1 71.21(15) . . ?
C5 K2 O1 53.71(15) 3_656 . ?
N6 K2 O1 69.77(15) 3_656 . ?
C6 K2 O1 51.67(15) 3_656 . ?
C7 K2 O1 155.52(15) 4_565 . ?
N2 K2 O1 69.69(14) . . ?
N6 K2 O1 132.17(15) 2_655 . ?
N7 K2 As1 78.47(13) 4_565 2_655 ?
N5 K2 As1 81.03(13) 3_656 2_655 ?
N3 K2 As1 142.29(13) . 2_655 ?
C5 K2 As1 91.79(13) 3_656 2_655 ?
N6 K2 As1 75.60(12) 3_656 2_655 ?
C6 K2 As1 87.77(13) 3_656 2_655 ?
C7 K2 As1 57.29(12) 4_565 2_655 ?
N2 K2 As1 127.79(12) . 2_655 ?
N6 K2 As1 74.24(11) 2_655 2_655 ?
O1 K2 As1 136.10(10) . 2_655 ?
N7 K2 C6 68.72(17) 4_565 2_655 ?
N5 K2 C6 77.22(17) 3_656 2_655 ?
N3 K2 C6 87.77(17) . 2_655 ?
C5 K2 C6 99.45(17) 3_656 2_655 ?
N6 K2 C6 130.13(17) 3_656 2_655 ?
C6 K2 C6 136.32(19) 3_656 2_655 ?
C7 K2 C6 58.23(16) 4_565 2_655 ?
N2 K2 C6 136.32(17) . 2_655 ?
N6 K2 C6 19.35(15) 2_655 2_655 ?
O1 K2 C6 144.69(15) . 2_655 ?
As1 K2 C6 54.90(12) 2_655 2_655 ?
O2 K4 O3 86.5(3) 4_566 . ?
O2 K4 N8 112.5(3) 4_566 4_565 ?
O3 K4 N8 71.0(2) . 4_565 ?
O2 K4 N6 136.5(2) 4_566 3_656 ?
O3 K4 N6 137.0(2) . 3_656 ?
N8 K4 N6 89.06(19) 4_565 3_656 ?
O2 K4 N2 107.6(3) 4_566 . ?
O3 K4 N2 76.4(2) . . ?
N8 K4 N2 125.5(2) 4_565 . ?
N6 K4 N2 86.23(19) 3_656 . ?
O2 K4 N3 78.5(2) 4_566 4_566 ?
O3 K4 N3 128.8(2) . 4_566 ?
N8 K4 N3 70.46(18) 4_565 4_566 ?
N6 K4 N3 73.88(18) 3_656 4_566 ?
N2 K4 N3 154.83(18) . 4_566 ?
O2 K4 N7 75.2(2) 4_566 . ?
O3 K4 N7 134.0(2) . . ?
N8 K4 N7 154.97(19) 4_565 . ?
N6 K4 N7 71.37(17) 3_656 . ?
N2 K4 N7 70.03(18) . . ?
N3 K4 N7 88.75(17) 4_566 . ?
O2 K4 K2 83.15(18) 4_566 4_566 ?
O3 K4 K2 169.59(19) . 4_566 ?
N8 K4 K2 111.94(14) 4_565 4_566 ?
N6 K4 K2 53.42(13) 3_656 4_566 ?
N2 K4 K2 108.03(14) . 4_566 ?
N3 K4 K2 47.50(12) 4_566 4_566 ?
N7 K4 K2 43.72(12) . 4_566 ?
O2 K4 K1 77.3(2) 4_566 2 ?
O3 K4 K1 39.6(2) . 2 ?
N8 K4 K1 45.03(14) 4_565 2 ?
N6 K4 K1 134.03(14) 3_656 2 ?
N2 K4 K1 115.94(14) . 2 ?
N3 K4 K1 89.16(13) 4_566 2 ?
N7 K4 K1 152.27(13) . 2 ?
K2 K4 K1 135.44(7) 4_566 2 ?
O2 K4 K6 121.8(2) 4_566 4_666 ?
O3 K4 K6 127.08(16) . 4_666 ?
N8 K4 K6 57.38(14) 4_565 4_666 ?
N6 K4 K6 40.46(13) 3_656 4_666 ?
N2 K4 K6 124.32(14) . 4_666 ?
N3 K4 K6 43.35(12) 4_566 4_666 ?
N7 K4 K6 97.97(13) . 4_666 ?
K2 K4 K6 58.73(4) 4_566 4_666 ?
K1 K4 K6 99.37(6) 2 4_666 ?
O2 K4 K6 87.1(2) 4_566 2 ?
O3 K4 K6 92.9(2) . 2 ?
N8 K4 K6 35.42(13) 4_565 2 ?
N6 K4 K6 91.30(13) 3_656 2 ?
N2 K4 K6 160.90(15) . 2 ?
N3 K4 K6 38.31(12) 4_566 2 ?
N7 K4 K6 126.91(13) . 2 ?
K2 K4 K6 85.30(5) 4_566 2 ?
K1 K4 K6 54.36(6) 2 2 ?
K6 K4 K6 50.84(5) 4_666 2 ?
O6 K6 N6 105.7(2) . 2 ?
O6 K6 N8 89.6(2) . 3_556 ?
N6 K6 N8 142.95(19) 2 3_556 ?
O6 K6 N3 152.7(2) . 1_455 ?
N6 K6 N3 75.87(18) 2 1_455 ?
N8 K6 N3 75.61(19) 3_556 1_455 ?
O6 K6 N3 98.1(2) . 3 ?
N6 K6 N3 136.6(2) 2 3 ?
N8 K6 N3 71.10(18) 3_556 3 ?
N3 K6 N3 98.62(16) 1_455 3 ?
O6 K6 N5 70.1(2) . 3_556 ?
N6 K6 N5 83.36(19) 2 3_556 ?
N8 K6 N5 70.21(19) 3_556 3_556 ?
N3 K6 N5 83.20(17) 1_455 3_556 ?
N3 K6 N5 139.44(18) 3 3_556 ?
O6 K6 C3 90.5(2) . 3 ?
N6 K6 C3 122.48(19) 2 3 ?
N8 K6 C3 90.11(18) 3_556 3 ?
N3 K6 C3 111.94(18) 1_455 3 ?
N3 K6 C3 20.62(16) 3 3 ?
N5 K6 C3 151.89(18) 3_556 3 ?
O6 K6 K6 141.8(2) . 3_455 ?
N6 K6 K6 111.99(16) 2 3_455 ?
N8 K6 K6 63.94(15) 3_556 3_455 ?
N3 K6 K6 49.67(12) 1_455 3_455 ?
N3 K6 K6 48.94(12) 3 3_455 ?
N5 K6 K6 119.70(14) 3_556 3_455 ?
C3 K6 K6 64.11(13) 3 3_455 ?
O6 K6 As1 86.36(19) . 3 ?
N6 K6 As1 72.87(14) 2 3 ?
N8 K6 As1 142.93(14) 3_556 3 ?
N3 K6 As1 119.19(14) 1_455 3 ?
N3 K6 As1 73.03(13) 3 3 ?
N5 K6 As1 140.62(13) 3_556 3 ?
C3 K6 As1 53.14(13) 3 3 ?
K6 K6 As1 98.45(8) 3_455 3 ?
O6 K6 K2 111.8(2) . 1_455 ?
N6 K6 K2 52.93(14) 2 1_455 ?
N8 K6 K2 90.14(13) 3_556 1_455 ?
N3 K6 K2 46.86(12) 1_455 1_455 ?
N3 K6 K2 144.77(13) 3 1_455 ?
N5 K6 K2 46.40(12) 3_556 1_455 ?
C3 K6 K2 157.71(14) 3 1_455 ?
K6 K6 K2 96.22(7) 3_455 1_455 ?
As1 K6 K2 125.43(5) 3 1_455 ?
O6 K6 K4 147.5(2) . 4_465 ?
N6 K6 K4 42.21(14) 2 4_465 ?
N8 K6 K4 119.06(15) 3_556 4_465 ?
N3 K6 K4 44.00(13) 1_455 4_465 ?
N3 K6 K4 105.27(14) 3 4_465 ?
N5 K6 K4 103.69(13) 3_556 4_465 ?
C3 K6 K4 103.42(13) 3 4_465 ?
K6 K6 K4 69.78(6) 3_455 4_465 ?
As1 K6 K4 79.30(5) 3 4_465 ?
K2 K6 K4 57.56(4) 1_455 4_465 ?
O6 K6 K4 82.9(2) . 2_545 ?
N6 K6 K4 171.36(15) 2 2_545 ?
N8 K6 K4 36.06(13) 3_556 2_545 ?
N3 K6 K4 97.17(13) 1_455 2_545 ?
N3 K6 K4 38.35(12) 3 2_545 ?
N5 K6 K4 101.09(13) 3_556 2_545 ?
C3 K6 K4 54.99(12) 3 2_545 ?
K6 K6 K4 59.38(5) 3_455 2_545 ?
As1 K6 K4 106.96(5) 3 2_545 ?
K2 K6 K4 125.55(5) 1_455 2_545 ?
K4 K6 K4 129.16(5) 4_465 2_545 ?
O4 K1 O3 141.7(5) 4_566 2_545 ?
O4 K1 O6 86.4(5) 4_566 . ?
O3 K1 O6 127.7(3) 2_545 . ?
O4 K1 O5 20.8(6) 4_566 4_566 ?
O3 K1 O5 159.2(7) 2_545 4_566 ?
O6 K1 O5 65.6(8) . 4_566 ?
O4 K1 N8 138.2(3) 4_566 3_556 ?
O3 K1 N8 70.6(2) 2_545 3_556 ?
O6 K1 N8 84.0(2) . 3_556 ?
O5 K1 N8 129.8(6) 4_566 3_556 ?
O4 K1 N1 102.5(3) 4_566 . ?
O3 K1 N1 78.0(2) 2_545 . ?
O6 K1 N1 70.4(2) . . ?
O5 K1 N1 94.6(5) 4_566 . ?
N8 K1 N1 112.2(2) 3_556 . ?
O4 K1 N5 71.8(3) 4_566 3_556 ?
O3 K1 N5 132.7(2) 2_545 3_556 ?
O6 K1 N5 67.2(2) . 3_556 ?
O5 K1 N5 64.8(5) 4_566 3_556 ?
N8 K1 N5 66.97(18) 3_556 3_556 ?
N1 K1 N5 137.5(2) . 3_556 ?
O4 K1 C8 127.4(3) 4_566 3_556 ?
O3 K1 C8 70.3(2) 2_545 3_556 ?
O6 K1 C8 98.6(2) . 3_556 ?
O5 K1 C8 127.3(5) 4_566 3_556 ?
N8 K1 C8 18.81(16) 3_556 3_556 ?
N1 K1 C8 128.6(2) . 3_556 ?
N5 K1 C8 62.83(16) 3_556 3_556 ?
O4 K1 C5 74.0(3) 4_566 3_556 ?
O3 K1 C5 119.5(2) 2_545 3_556 ?
O6 K1 C5 86.1(2) . 3_556 ?
O5 K1 C5 73.8(5) 4_566 3_556 ?
N8 K1 C5 64.81(17) 3_556 3_556 ?
N1 K1 C5 156.5(2) . 3_556 ?
N5 K1 C5 19.06(15) 3_556 3_556 ?
C8 K1 C5 54.47(16) 3_556 3_556 ?
O4 K1 As2 90.3(4) 4_566 3_556 ?
O3 K1 As2 75.67(19) 2_545 3_556 ?
O6 K1 As2 137.6(2) . 3_556 ?
O5 K1 As2 105.4(6) 4_566 3_556 ?
N8 K1 As2 70.82(13) 3_556 3_556 ?
N1 K1 As2 150.53(19) . 3_556 ?
N5 K1 As2 71.65(13) 3_556 3_556 ?
C8 K1 As2 52.08(12) 3_556 3_556 ?
C5 K1 As2 52.62(12) 3_556 3_556 ?
O4 K1 As2 66.1(3) 4_566 . ?
O3 K1 As2 79.79(17) 2_545 . ?
O6 K1 As2 121.12(19) . . ?
O5 K1 As2 79.4(6) 4_566 . ?
N8 K1 As2 149.53(17) 3_556 . ?
N1 K1 As2 66.88(14) . . ?
N5 K1 As2 135.78(16) 3_556 . ?
C8 K1 As2 139.76(15) 3_556 . ?
C5 K1 As2 128.39(14) 3_556 . ?
As2 K1 As2 95.40(8) 3_556 . ?
O4 K1 K4 175.4(4) 4_566 2_545 ?
O3 K1 K4 41.52(17) 2_545 2_545 ?
O6 K1 K4 89.38(19) . 2_545 ?
O5 K1 K4 154.9(7) 4_566 2_545 ?
N8 K1 K4 42.77(13) 3_556 2_545 ?
N1 K1 K4 74.40(15) . 2_545 ?
N5 K1 K4 108.15(14) 3_556 2_545 ?
C8 K1 K4 54.98(12) 3_556 2_545 ?
C5 K1 K4 107.48(13) 3_556 2_545 ?
As2 K1 K4 94.02(7) 3_556 2_545 ?
As2 K1 K4 114.96(8) . 2_545 ?
O5 K5 N4 63.1(8) . 3 ?
O5 K5 N5 74.1(6) . 2 ?
N4 K5 N5 78.4(2) 3 2 ?
O5 K5 O2 88.8(7) . . ?
N4 K5 O2 102.9(2) 3 . ?
N5 K5 O2 160.3(3) 2 . ?
O5 K5 O6 147.2(9) . . ?
N4 K5 O6 141.1(2) 3 . ?
N5 K5 O6 124.4(2) 2 . ?
O2 K5 O6 66.6(2) . . ?
O5 K5 N4 101.3(8) . 2 ?
N4 K5 N4 160.82(14) 3 2 ?
N5 K5 N4 86.8(2) 2 2 ?
O2 K5 N4 87.1(2) . 2 ?
O6 K5 N4 57.9(2) . 2 ?
O5 K5 C5 83.2(6) . 2 ?
N4 K5 C5 98.8(2) 3 2 ?
N5 K5 C5 20.43(17) 2 2 ?
O2 K5 C5 150.4(3) . 2 ?
O6 K5 C5 107.1(2) . 2 ?
N4 K5 C5 66.80(18) 2 2 ?
O5 K5 C4 82.4(9) . 3 ?
N4 K5 C4 20.01(19) 3 3 ?
N5 K5 C4 77.72(19) 2 3 ?
O2 K5 C4 110.2(2) . 3 ?
O6 K5 C4 125.5(2) . 3 ?
N4 K5 C4 162.5(2) 2 3 ?
C5 K5 C4 96.97(19) 2 3 ?
O5 K5 N1 121.9(6) . 3 ?
N4 K5 N1 82.9(2) 3 3 ?
N5 K5 N1 145.4(2) 2 3 ?
O2 K5 N1 52.9(2) . 3 ?
O6 K5 N1 60.6(2) . 3 ?
N4 K5 N1 115.9(2) 2 3 ?
C5 K5 N1 151.3(2) 2 3 ?
C4 K5 N1 74.9(2) 3 3 ?
O5 K5 As1 131.1(9) . 3 ?
N4 K5 As1 72.95(15) 3 3 ?
N5 K5 As1 77.30(15) 2 3 ?
O2 K5 As1 122.1(2) . 3 ?
O6 K5 As1 81.56(17) . 3 ?
N4 K5 As1 115.74(15) 2 3 ?
C5 K5 As1 83.45(13) 2 3 ?
C4 K5 As1 53.06(14) 3 3 ?
N1 K5 As1 69.52(13) 3 3 ?
O5 K5 K1 33.6(6) . 4_565 ?
N4 K5 K1 77.41(18) 3 4_565 ?
N5 K5 K1 44.40(14) 2 4_565 ?
O2 K5 K1 116.23(19) . 4_565 ?
O6 K5 K1 141.41(18) . 4_565 ?
N4 K5 K1 83.50(16) 2 4_565 ?
C5 K5 K1 49.78(13) 2 4_565 ?
C4 K5 K1 90.95(16) 3 4_565 ?
N1 K5 K1 154.51(17) 3 4_565 ?
As1 K5 K1 118.62(9) 3 4_565 ?
O5 K5 K4 60.5(6) . 4_565 ?
N4 K5 K4 75.57(15) 3 4_565 ?
N5 K5 K4 134.10(16) 2 4_565 ?
O2 K5 K4 32.65(15) . 4_565 ?
O6 K5 K4 99.12(17) . 4_565 ?
N4 K5 K4 107.53(14) 2 4_565 ?
C5 K5 K4 142.08(15) 2 4_565 ?
C4 K5 K4 89.30(14) 3 4_565 ?
N1 K5 K4 66.32(13) 3 4_565 ?
As1 K5 K4 127.95(8) 3 4_565 ?
K1 K5 K4 92.94(7) 4_565 4_565 ?
O2 K3 O3 157.7(4) . . ?
O2 K3 O4 108.7(5) . . ?
O3 K3 O4 84.2(5) . . ?
O2 K3 N4 122.7(4) . 2 ?
O3 K3 N4 71.2(3) . 2 ?
O4 K3 N4 98.0(4) . 2 ?
O2 K3 N7 88.4(3) . 4_565 ?
O3 K3 N7 75.9(3) . 4_565 ?
O4 K3 N7 79.6(3) . 4_565 ?
N4 K3 N7 147.1(3) 2 4_565 ?
O2 K3 N2 78.3(3) . . ?
O3 K3 N2 82.4(3) . . ?
O4 K3 N2 153.7(4) . . ?
N4 K3 N2 99.0(3) 2 . ?
N7 K3 N2 75.2(2) 4_565 . ?
O2 K3 C4 127.5(3) . 2 ?
O3 K3 C4 70.7(2) . 2 ?
O4 K3 C4 83.4(4) . 2 ?
N4 K3 C4 14.6(2) 2 2 ?
N7 K3 C4 143.7(3) 4_565 2 ?
N2 K3 C4 113.1(2) . 2 ?
O2 K3 K4 42.7(2) . 4_565 ?
O3 K3 K4 126.1(2) . 4_565 ?
O4 K3 K4 81.8(4) . 4_565 ?
N4 K3 K4 162.3(3) 2 4_565 ?
N7 K3 K4 50.43(15) 4_565 4_565 ?
N2 K3 K4 87.94(18) . 4_565 ?
C4 K3 K4 156.0(2) 2 4_565 ?
O2 K3 K1 123.2(3) . 4_565 ?
O3 K3 K1 72.8(2) . 4_565 ?
O4 K3 K1 16.4(4) . 4_565 ?
N4 K3 K1 83.0(2) 2 4_565 ?
N7 K3 K1 88.5(2) 4_565 4_565 ?
N2 K3 K1 153.1(2) . 4_565 ?
C4 K3 K1 68.68(16) 2 4_565 ?
K4 K3 K1 98.12(12) 4_565 4_565 ?
K6 O6 K1 94.7(2) . . ?
K6 O6 K5 103.6(3) . . ?
K1 O6 K5 161.0(3) . . ?
K3 O3 K1 153.8(4) . 2 ?
K3 O3 K4 105.9(3) . . ?
K1 O3 K4 98.8(3) 2 . ?
K3 O2 K4 103.5(3) . 4_565 ?
K3 O2 K5 61.0(3) . . ?
K4 O2 K5 111.7(3) 4_565 . ?
K3 O4 K1 148.1(8) . 4_565 ?
K5 O5 K1 117.8(8) . 4_565 ?

_diffrn_measured_fraction_theta_max 0.996
_diffrn_reflns_theta_full        25.25
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         3.304
_refine_diff_density_min         -2.263
_refine_diff_density_rms         0.288
