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

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#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
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# 
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#  data retrieval see:
#                         www.ccdc.cam.ac.uk
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#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
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data_1

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'B2 K7 O19 P5'
_chemical_formula_weight         754.17

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
K K 0.2009 0.2494 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   9.9795(8)
_cell_length_b                   10.1903(8)
_cell_length_c                   11.6966(9)
_cell_angle_alpha                91.086(5)
_cell_angle_beta                 101.528(5)
_cell_angle_gamma                118.691(4)
_cell_volume                     1013.21(14)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    5932
_cell_measurement_theta_min      2.36
_cell_measurement_theta_max      27.37

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.144
_exptl_crystal_size_mid          0.139
_exptl_crystal_size_min          0.123
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.472
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             740
_exptl_absorpt_coefficient_mu    1.980
_exptl_absorpt_correction_type   Numerical
_exptl_absorpt_correction_T_min  0.8819
_exptl_absorpt_correction_T_max  0.9968
_exptl_absorpt_process_details   face-indexed

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      296(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  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            18859
_diffrn_reflns_av_R_equivalents  0.0412
_diffrn_reflns_av_sigmaI/netI    0.0437
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         2.36
_diffrn_reflns_theta_max         27.49
_reflns_number_total             4616
_reflns_number_gt                3504
_reflns_threshold_expression     >2sigma(I)

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

_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)+(0.0473P)²+0.4359P] 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         4616
_refine_ls_number_parameters     305
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.0583
_refine_ls_R_factor_gt           0.0401
_refine_ls_wR_factor_ref         0.1016
_refine_ls_wR_factor_gt          0.0939
_refine_ls_goodness_of_fit_ref   1.111
_refine_ls_restrained_S_all      1.133
_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
K1 K 0.97184(10) 0.63451(9) -0.11947(8) 0.0341(2) Uani 1 1 d . . .
K2 K 0.93436(10) 0.86181(10) 0.38256(8) 0.0362(2) Uani 1 1 d . . .
K3 K 0.71422(9) 1.03644(8) 0.20652(7) 0.02425(18) Uani 1 1 d . . .
K4 K 1.0000 1.0000 0.0000 0.0334(3) Uani 1 2 d S . .
K5 K 0.46315(10) 1.24252(9) 0.09748(7) 0.0284(2) Uani 1 1 d . . .
K6 K 0.44522(10) 0.61650(9) 0.20292(7) 0.0313(2) Uani 1 1 d . . .
K7 K 0.75076(11) 1.26835(10) 0.50227(8) 0.0375(2) Uani 1 1 d . . .
K8 K 0.5623(2) 0.50999(17) 0.47911(16) 0.0348(6) Uani 0.495(3) 1 d P . .
B1 B 0.7068(4) 1.0161(4) 0.7153(3) 0.0180(8) Uani 1 1 d . . .
B2 B 0.9228(4) 1.2817(4) 0.7967(3) 0.0192(8) Uani 1 1 d . . .
P1 P 0.77286(10) 0.65898(9) 0.10321(8) 0.0197(2) Uani 1 1 d . . .
P2 P 0.30751(10) 0.85047(9) 0.09557(8) 0.01757(19) Uani 1 1 d . . .
P3 P 0.84006(11) 1.49149(9) 0.28509(9) 0.0239(2) Uani 1 1 d . . .
P4 P 0.65498(11) 0.88371(9) 0.49810(8) 0.0195(2) Uani 1 1 d . . .
P5 P 1.20171(10) 1.19971(9) 0.29221(8) 0.0189(2) Uani 1 1 d . . .
O1 O 0.1794(3) 0.7019(2) 0.1354(2) 0.0207(5) Uani 1 1 d . . .
O2 O 0.2265(3) 0.9051(3) 0.0039(2) 0.0258(6) Uani 1 1 d . . .
O3 O 0.3895(2) 0.9677(2) 0.2128(2) 0.0178(5) Uani 1 1 d . . .
O4 O 0.4274(3) 0.8179(3) 0.0660(2) 0.0271(6) Uani 1 1 d . . .
O5 O 0.5165(3) 0.7476(3) 0.4256(2) 0.0328(6) Uani 1 1 d . . .
O6 O 0.7342(4) 0.7668(3) 0.1523(3) 0.0458(8) Uani 1 1 d . . .
O7 O 0.9518(3) 0.7289(3) 0.1172(3) 0.0395(7) Uani 1 1 d . . .
O8 O 0.6942(4) 0.5966(5) -0.0202(3) 0.0715(12) Uani 1 1 d . . .
O9 O 0.7315(3) 0.5249(4) 0.1813(3) 0.0647(12) Uani 1 1 d . . .
O10 O 1.2467(3) 1.0947(3) 0.2320(2) 0.0280(6) Uani 1 1 d . . .
O11 O 1.2239(3) 1.1664(3) 0.4278(2) 0.0273(6) Uani 1 1 d . . .
O12 O 1.3117(4) 1.3595(3) 0.2892(3) 0.0518(9) Uani 1 1 d . . .
O13 O 1.0330(3) 1.1475(4) 0.2469(3) 0.0430(7) Uani 1 1 d . . .
O14 O 0.7577(3) 1.0054(3) 0.4361(2) 0.0293(6) Uani 1 1 d . . .
O15 O 0.8391(3) 1.1561(3) 0.7066(2) 0.0268(6) Uani 1 1 d . . .
O16 O 0.6040(3) 0.9427(2) 0.5956(2) 0.0205(5) Uani 1 1 d . . .
O17 O 0.8439(5) 1.5595(4) 0.3983(3) 0.0716(11) Uani 1 1 d U . .
O18 O 1.0044(3) 1.5746(3) 0.2540(2) 0.0262(6) Uani 1 1 d . . .
O19 O 0.7768(3) 1.3271(3) 0.2675(2) 0.0319(6) Uani 1 1 d . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
K1 O13 2.712(3) 2_775 ?
K1 O18 2.754(3) 2_775 ?
K1 O2 2.793(3) 1_655 ?
K1 O7 2.989(3) . ?
K1 O1 2.993(2) 2_665 ?
K1 O8 3.073(4) . ?
K1 O1 3.121(3) 1_655 ?
K1 O12 3.143(3) 2_775 ?
K1 O19 3.204(3) 2_775 ?
K1 P5 3.3876(13) 2_775 ?
K1 P2 3.4257(13) 1_655 ?
K1 B2 3.480(4) 1_544 ?
K2 O15 2.750(3) 2_776 ?
K2 O17 2.785(3) 1_545 ?
K2 O6 2.842(3) . ?
K2 O11 2.913(3) 2_776 ?
K2 O14 2.920(3) . ?
K2 O11 2.997(3) . ?
K2 O14 3.011(3) 2_776 ?
K2 O13 3.164(3) . ?
K2 B2 3.413(4) 2_776 ?
K2 K2 3.4527(17) 2_776 ?
K2 P3 3.5249(12) 1_545 ?
K2 P4 3.5834(13) 2_776 ?
K3 O2 2.658(2) 2_675 ?
K3 O14 2.683(3) . ?
K3 O13 2.747(3) . ?
K3 O19 2.764(3) . ?
K3 O4 2.777(3) . ?
K3 O6 2.916(3) . ?
K3 O3 2.986(2) . ?
K3 K1 3.6623(11) 2_775 ?
K3 P2 3.7346(12) 2_675 ?
K3 K5 4.0159(12) 2_675 ?
K4 O2 2.847(2) 2_675 ?
K4 O2 2.847(2) 1_655 ?
K4 O7 2.979(2) 2_775 ?
K4 O7 2.979(2) . ?
K4 O10 3.051(3) . ?
K4 O10 3.051(3) 2_775 ?
K4 O13 3.113(3) . ?
K4 O13 3.113(3) 2_775 ?
K4 P1 3.5158(9) 2_775 ?
K4 P5 3.5957(9) 2_775 ?
K4 K1 3.8137(9) 2_775 ?
K4 K5 3.9483(9) 1_655 ?
K5 O4 2.582(3) 2_675 ?
K5 O10 2.781(3) 1_455 ?
K5 O9 2.803(3) 1_565 ?
K5 O8 2.816(4) 2_675 ?
K5 O3 2.960(2) . ?
K5 O19 3.058(3) . ?
K5 O2 3.102(3) . ?
K5 O6 3.152(3) 2_675 ?
K5 O12 3.424(4) 1_455 ?
K5 B1 3.468(4) 2_676 ?
K5 P1 3.4949(13) 2_675 ?
K5 P5 3.6750(12) 1_455 ?
K6 O12 2.634(3) 1_445 ?
K6 O8 2.637(3) 2_665 ?
K6 O4 2.678(3) . ?
K6 O5 2.700(3) . ?
K6 O6 2.736(3) . ?
K6 O1 3.134(2) . ?
K6 K1 3.5886(13) 2_665 ?
K6 K5 3.9320(12) 2_675 ?
K6 K8 3.962(2) 2_666 ?
K6 K5 4.0794(12) 1_545 ?
K6 K7 4.6731(13) 2_676 ?
K7 O14 2.811(3) . ?
K7 O15 2.834(3) . ?
K7 O19 2.858(3) . ?
K7 O5 2.888(3) 2_676 ?
K7 O17 3.014(4) . ?
K7 O16 3.073(2) 2_676 ?
K7 O18 3.154(3) 2_786 ?
K7 P4 3.5728(14) 2_676 ?
K7 K8 3.734(2) 1_565 ?
K7 P3 3.8684(14) 2_786 ?
K7 K2 3.9782(14) 2_776 ?
K7 K6 4.6731(13) 2_676 ?
K8 K8 1.352(4) 2_666 ?
K8 O5 2.689(3) 2_666 ?
K8 O5 2.733(3) . ?
K8 O12 2.740(4) 1_445 ?
K8 O12 2.754(4) 2_776 ?
K8 O17 2.960(4) 1_545 ?
K8 O11 2.965(3) 2_776 ?
K8 P5 3.4562(19) 2_776 ?
K8 P4 3.5759(18) 2_666 ?
K8 P5 3.6597(19) 1_445 ?
K8 K7 3.734(2) 1_545 ?
K8 K6 3.962(2) 2_666 ?
B1 O15 1.428(4) . ?
B1 O3 1.459(4) 2_676 ?
B1 O16 1.491(4) . ?
B1 O10 1.511(4) 2_776 ?
B1 K5 3.468(4) 2_676 ?
B2 O15 1.420(5) . ?
B2 O1 1.477(4) 2_676 ?
B2 O18 1.485(4) 2_786 ?
B2 O7 1.490(5) 2_776 ?
B2 K2 3.412(4) 2_776 ?
B2 K1 3.480(4) 1_566 ?
P1 O8 1.462(3) . ?
P1 O6 1.469(3) . ?
P1 O7 1.543(3) . ?
P1 O9 1.590(3) . ?
P1 K5 3.4949(13) 2_675 ?
P1 K5 3.8575(12) 1_545 ?
P2 O4 1.484(2) . ?
P2 O2 1.490(3) . ?
P2 O3 1.590(2) . ?
P2 O1 1.597(2) . ?
P2 K1 3.4256(13) 1_455 ?
P2 K3 3.7346(12) 2_675 ?
P3 O17 1.468(3) . ?
P3 O19 1.472(2) . ?
P3 O18 1.567(2) . ?
P3 O9 1.615(3) 1_565 ?
P3 K2 3.5249(12) 1_565 ?
P3 K1 3.5494(13) 2_775 ?
P3 K7 3.8684(14) 2_786 ?
P4 O5 1.483(3) . ?
P4 O14 1.491(3) . ?
P4 O16 1.556(2) . ?
P4 O11 1.632(3) 2_776 ?
P4 K7 3.5728(14) 2_676 ?
P4 K8 3.5759(18) 2_666 ?
P4 K2 3.5834(13) 2_776 ?
P5 O12 1.469(3) . ?
P5 O13 1.473(3) . ?
P5 O10 1.550(2) . ?
P5 O11 1.623(3) . ?
P5 K1 3.3876(13) 2_775 ?
P5 K8 3.4561(19) 2_776 ?
P5 K8 3.660(2) 1_665 ?
P5 K5 3.6750(12) 1_655 ?
O1 B2 1.477(4) 2_676 ?
O1 K1 2.993(2) 2_665 ?
O1 K1 3.121(3) 1_455 ?
O2 K3 2.658(2) 2_675 ?
O2 K1 2.793(3) 1_455 ?
O2 K4 2.847(2) 1_455 ?
O3 B1 1.459(4) 2_676 ?
O4 K5 2.582(2) 2_675 ?
O5 K8 2.689(3) 2_666 ?
O5 K7 2.888(3) 2_676 ?
O6 K5 3.152(3) 2_675 ?
O7 B2 1.490(5) 2_776 ?
O8 K6 2.637(3) 2_665 ?
O8 K5 2.816(4) 2_675 ?
O9 P3 1.615(3) 1_545 ?
O9 K5 2.803(3) 1_545 ?
O10 B1 1.511(4) 2_776 ?
O10 K5 2.781(3) 1_655 ?
O11 P4 1.632(3) 2_776 ?
O11 K2 2.913(3) 2_776 ?
O11 K8 2.965(3) 2_776 ?
O12 K6 2.634(3) 1_665 ?
O12 K8 2.740(4) 1_665 ?
O12 K8 2.754(4) 2_776 ?
O12 K1 3.143(3) 2_775 ?
O12 K5 3.424(4) 1_655 ?
O13 K1 2.712(3) 2_775 ?
O14 K2 3.011(3) 2_776 ?
O15 K2 2.750(3) 2_776 ?
O16 K7 3.073(2) 2_676 ?
O17 K2 2.785(3) 1_565 ?
O17 K8 2.960(4) 1_565 ?
O18 B2 1.485(4) 2_786 ?
O18 K1 2.754(3) 2_775 ?
O18 K7 3.154(3) 2_786 ?
O19 K1 3.203(3) 2_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
O13 K1 O18 110.70(8) 2_775 2_775 ?
O13 K1 O2 74.75(8) 2_775 1_655 ?
O18 K1 O2 124.79(8) 2_775 1_655 ?
O13 K1 O7 103.32(8) 2_775 . ?
O18 K1 O7 145.98(8) 2_775 . ?
O2 K1 O7 63.59(7) 1_655 . ?
O13 K1 O1 140.60(8) 2_775 2_665 ?
O18 K1 O1 48.03(6) 2_775 2_665 ?
O2 K1 O1 143.77(7) 1_655 2_665 ?
O7 K1 O1 103.80(7) . 2_665 ?
O13 K1 O8 92.64(10) 2_775 . ?
O18 K1 O8 129.14(9) 2_775 . ?
O2 K1 O8 104.38(9) 1_655 . ?
O7 K1 O8 47.42(8) . . ?
O1 K1 O8 85.20(9) 2_665 . ?
O13 K1 O1 123.51(8) 2_775 1_655 ?
O18 K1 O1 110.23(7) 2_775 1_655 ?
O2 K1 O1 50.07(6) 1_655 1_655 ?
O7 K1 O1 45.89(7) . 1_655 ?
O1 K1 O1 95.88(6) 2_665 1_655 ?
O8 K1 O1 90.41(8) . 1_655 ?
O13 K1 O12 50.05(8) 2_775 2_775 ?
O18 K1 O12 99.66(8) 2_775 2_775 ?
O2 K1 O12 119.26(8) 1_655 2_775 ?
O7 K1 O12 102.56(8) . 2_775 ?
O1 K1 O12 96.19(7) 2_665 2_775 ?
O8 K1 O12 61.52(9) . 2_775 ?
O1 K1 O12 148.22(8) 1_655 2_775 ?
O13 K1 O19 80.21(8) 2_775 2_775 ?
O18 K1 O19 48.70(6) 2_775 2_775 ?
O2 K1 O19 81.06(7) 1_655 2_775 ?
O7 K1 O19 141.42(7) . 2_775 ?
O1 K1 O19 95.57(6) 2_665 2_775 ?
O8 K1 O19 169.68(9) . 2_775 ?
O1 K1 O19 99.74(7) 1_655 2_775 ?
O12 K1 O19 108.19(8) 2_775 2_775 ?
O13 K1 P5 24.95(6) 2_775 2_775 ?
O18 K1 P5 110.56(6) 2_775 2_775 ?
O2 K1 P5 95.11(6) 1_655 2_775 ?
O7 K1 P5 100.44(6) . 2_775 ?
O1 K1 P5 121.02(6) 2_665 2_775 ?
O8 K1 P5 73.50(8) . 2_775 ?
O1 K1 P5 137.23(5) 1_655 2_775 ?
O12 K1 P5 25.65(5) 2_775 2_775 ?
O19 K1 P5 97.47(5) 2_775 2_775 ?
O13 K1 P2 99.70(7) 2_775 1_655 ?
O18 K1 P2 112.27(6) 2_775 1_655 ?
O2 K1 P2 25.20(5) 1_655 1_655 ?
O7 K1 P2 59.73(5) . 1_655 ?
O1 K1 P2 118.59(5) 2_665 1_655 ?
O8 K1 P2 106.99(7) . 1_655 ?
O1 K1 P2 27.74(4) 1_655 1_655 ?
O12 K1 P2 143.16(6) 2_775 1_655 ?
O19 K1 P2 81.72(5) 2_775 1_655 ?
P5 K1 P2 120.13(3) 2_775 1_655 ?
O13 K1 B2 131.67(9) 2_775 1_544 ?
O18 K1 B2 24.15(8) 2_775 1_544 ?
O2 K1 B2 133.98(9) 1_655 1_544 ?
O7 K1 B2 123.60(8) . 1_544 ?
O1 K1 B2 24.95(7) 2_665 1_544 ?
O8 K1 B2 109.81(10) . 1_544 ?
O1 K1 B2 99.30(8) 1_655 1_544 ?
O12 K1 B2 103.96(9) 2_775 1_544 ?
O19 K1 B2 70.62(7) 2_775 1_544 ?
P5 K1 B2 123.34(7) 2_775 1_544 ?
P2 K1 B2 112.72(7) 1_655 1_544 ?
O15 K2 O17 80.52(9) 2_776 1_545 ?
O15 K2 O6 89.13(8) 2_776 . ?
O17 K2 O6 87.46(10) 1_545 . ?
O15 K2 O11 150.72(9) 2_776 2_776 ?
O17 K2 O11 83.99(8) 1_545 2_776 ?
O6 K2 O11 114.92(8) . 2_776 ?
O15 K2 O14 154.85(8) 2_776 . ?
O17 K2 O14 124.13(10) 1_545 . ?
O6 K2 O14 87.31(8) . . ?
O11 K2 O14 49.35(7) 2_776 . ?
O15 K2 O11 70.70(7) 2_776 . ?
O17 K2 O11 140.56(11) 1_545 . ?
O6 K2 O11 117.64(8) . . ?
O11 K2 O11 108.51(6) 2_776 . ?
O14 K2 O11 89.03(7) . . ?
O15 K2 O14 68.72(7) 2_776 2_776 ?
O17 K2 O14 97.07(11) 1_545 2_776 ?
O6 K2 O14 156.15(8) . 2_776 ?
O11 K2 O14 88.88(7) 2_776 2_776 ?
O14 K2 O14 108.82(7) . 2_776 ?
O11 K2 O14 47.82(7) . 2_776 ?
O15 K2 O13 81.75(8) 2_776 . ?
O17 K2 O13 153.09(9) 1_545 . ?
O6 K2 O13 72.18(8) . . ?
O11 K2 O13 120.20(7) 2_776 . ?
O14 K2 O13 73.46(7) . . ?
O11 K2 O13 47.44(7) . . ?
O14 K2 O13 95.14(7) 2_776 . ?
O15 K2 B2 23.65(8) 2_776 2_776 ?
O17 K2 B2 66.71(9) 1_545 2_776 ?
O6 K2 B2 70.15(9) . 2_776 ?
O11 K2 B2 150.32(8) 2_776 2_776 ?
O14 K2 B2 155.22(9) . 2_776 ?
O11 K2 B2 92.40(8) . 2_776 ?
O14 K2 B2 90.09(8) 2_776 2_776 ?
O13 K2 B2 89.44(8) . 2_776 ?
O15 K2 K2 116.68(6) 2_776 2_776 ?
O17 K2 K2 125.59(9) 1_545 2_776 ?
O6 K2 K2 139.29(7) . 2_776 ?
O11 K2 K2 55.38(6) 2_776 2_776 ?
O14 K2 K2 55.64(6) . 2_776 ?
O11 K2 K2 53.13(5) . 2_776 ?
O14 K2 K2 53.18(5) 2_776 2_776 ?
O13 K2 K2 80.64(6) . 2_776 ?
B2 K2 K2 140.29(7) 2_776 2_776 ?
O15 K2 P3 65.59(5) 2_776 1_545 ?
O17 K2 P3 23.35(7) 1_545 1_545 ?
O6 K2 P3 70.32(6) . 1_545 ?
O11 K2 P3 105.47(6) 2_776 1_545 ?
O14 K2 P3 135.31(6) . 1_545 ?
O11 K2 P3 135.52(5) . 1_545 ?
O14 K2 P3 106.18(6) 2_776 1_545 ?
O13 K2 P3 129.75(6) . 1_545 ?
B2 K2 P3 46.77(6) 2_776 1_545 ?
K2 K2 P3 147.59(5) 2_776 1_545 ?
O15 K2 P4 58.44(5) 2_776 2_776 ?
O17 K2 P4 114.09(10) 1_545 2_776 ?
O6 K2 P4 134.56(7) . 2_776 ?
O11 K2 P4 107.10(6) 2_776 2_776 ?
O14 K2 P4 108.57(6) . 2_776 ?
O11 K2 P4 26.87(5) . 2_776 ?
O14 K2 P4 24.20(5) 2_776 2_776 ?
O13 K2 P4 72.33(5) . 2_776 ?
B2 K2 P4 82.07(7) 2_776 2_776 ?
K2 K2 P4 58.25(3) 2_776 2_776 ?
P3 K2 P4 114.74(3) 1_545 2_776 ?
O2 K3 O14 160.61(8) 2_675 . ?
O2 K3 O13 76.39(8) 2_675 . ?
O14 K3 O13 84.28(9) . . ?
O2 K3 O19 92.26(8) 2_675 . ?
O14 K3 O19 88.58(8) . . ?
O13 K3 O19 88.04(9) . . ?
O2 K3 O4 80.82(8) 2_675 . ?
O14 K3 O4 114.91(8) . . ?
O13 K3 O4 142.80(8) . . ?
O19 K3 O4 122.13(8) . . ?
O2 K3 O6 83.94(9) 2_675 . ?
O14 K3 O6 90.44(9) . . ?
O13 K3 O6 77.50(9) . . ?
O19 K3 O6 165.53(9) . . ?
O4 K3 O6 71.14(8) . . ?
O2 K3 O3 112.41(7) 2_675 . ?
O14 K3 O3 86.88(7) . . ?
O13 K3 O3 166.40(8) . . ?
O19 K3 O3 81.42(7) . . ?
O4 K3 O3 50.75(6) . . ?
O6 K3 O3 112.94(8) . . ?
O2 K3 K1 49.37(5) 2_675 2_775 ?
O14 K3 K1 116.79(6) . 2_775 ?
O13 K3 K1 47.47(7) . 2_775 ?
O19 K3 K1 57.80(6) . 2_775 ?
O4 K3 K1 128.24(6) . 2_775 ?
O6 K3 K1 110.32(7) . 2_775 ?
O3 K3 K1 130.00(5) . 2_775 ?
O2 K3 P2 18.82(5) 2_675 2_675 ?
O14 K3 P2 170.33(6) . 2_675 ?
O13 K3 P2 92.04(7) . 2_675 ?
O19 K3 P2 82.34(6) . 2_675 ?
O4 K3 P2 73.15(6) . 2_675 ?
O6 K3 P2 97.51(7) . 2_675 ?
O3 K3 P2 95.03(5) . 2_675 ?
K1 K3 P2 55.17(2) 2_775 2_675 ?
O2 K3 K5 50.54(5) 2_675 2_675 ?
O14 K3 K5 135.71(6) . 2_675 ?
O13 K3 K5 104.15(7) . 2_675 ?
O19 K3 K5 134.35(6) . 2_675 ?
O4 K3 K5 39.65(5) . 2_675 ?
O6 K3 K5 51.13(7) . 2_675 ?
O3 K3 K5 89.39(5) . 2_675 ?
K1 K3 K5 98.98(3) 2_775 2_675 ?
P2 K3 K5 53.89(2) 2_675 2_675 ?
O2 K4 O2 180.00(7) 2_675 1_655 ?
O2 K4 O7 63.11(7) 2_675 2_775 ?
O2 K4 O7 116.88(7) 1_655 2_775 ?
O2 K4 O7 116.89(7) 2_675 . ?
O2 K4 O7 63.11(7) 1_655 . ?
O7 K4 O7 180.0 2_775 . ?
O2 K4 O10 114.88(7) 2_675 . ?
O2 K4 O10 65.12(7) 1_655 . ?
O7 K4 O10 109.70(7) 2_775 . ?
O7 K4 O10 70.30(7) . . ?
O2 K4 O10 65.12(7) 2_675 2_775 ?
O2 K4 O10 114.88(7) 1_655 2_775 ?
O7 K4 O10 70.30(7) 2_775 2_775 ?
O7 K4 O10 109.70(7) . 2_775 ?
O10 K4 O10 180.0 . 2_775 ?
O2 K4 O13 68.06(7) 2_675 . ?
O2 K4 O13 111.94(7) 1_655 . ?
O7 K4 O13 94.52(9) 2_775 . ?
O7 K4 O13 85.48(9) . . ?
O10 K4 O13 47.31(7) . . ?
O10 K4 O13 132.69(7) 2_775 . ?
O2 K4 O13 111.94(7) 2_675 2_775 ?
O2 K4 O13 68.06(7) 1_655 2_775 ?
O7 K4 O13 85.48(9) 2_775 2_775 ?
O7 K4 O13 94.52(9) . 2_775 ?
O10 K4 O13 132.69(7) . 2_775 ?
O10 K4 O13 47.31(7) 2_775 2_775 ?
O13 K4 O13 180.0 . 2_775 ?
O2 K4 P1 87.07(5) 2_675 2_775 ?
O2 K4 P1 92.93(5) 1_655 2_775 ?
O7 K4 P1 25.83(5) 2_775 2_775 ?
O7 K4 P1 154.17(5) . 2_775 ?
O10 K4 P1 91.56(5) . 2_775 ?
O10 K4 P1 88.44(5) 2_775 2_775 ?
O13 K4 P1 95.69(6) . 2_775 ?
O13 K4 P1 84.31(6) 2_775 2_775 ?
O2 K4 P5 90.20(5) 2_675 2_775 ?
O2 K4 P5 89.80(5) 1_655 2_775 ?
O7 K4 P5 83.90(6) 2_775 2_775 ?
O7 K4 P5 96.10(6) . 2_775 ?
O10 K4 P5 154.69(5) . 2_775 ?
O10 K4 P5 25.31(5) 2_775 2_775 ?
O13 K4 P5 155.98(5) . 2_775 ?
O13 K4 P5 24.02(5) 2_775 2_775 ?
P1 K4 P5 93.15(2) 2_775 2_775 ?
O2 K4 K1 46.86(5) 2_675 2_775 ?
O2 K4 K1 133.14(5) 1_655 2_775 ?
O7 K4 K1 50.39(6) 2_775 2_775 ?
O7 K4 K1 129.61(6) . 2_775 ?
O10 K4 K1 77.66(5) . 2_775 ?
O10 K4 K1 102.34(5) 2_775 2_775 ?
O13 K4 K1 44.70(6) . 2_775 ?
O13 K4 K1 135.30(6) 2_775 2_775 ?
P1 K4 K1 59.53(2) 2_775 2_775 ?
P5 K4 K1 125.68(2) 2_775 2_775 ?
O2 K4 K5 128.75(5) 2_675 1_655 ?
O2 K4 K5 51.25(5) 1_655 1_655 ?
O7 K4 K5 80.47(5) 2_775 1_655 ?
O7 K4 K5 99.53(5) . 1_655 ?
O10 K4 K5 44.57(5) . 1_655 ?
O10 K4 K5 135.43(5) 2_775 1_655 ?
O13 K4 K5 81.14(5) . 1_655 ?
O13 K4 K5 98.86(5) 2_775 1_655 ?
P1 K4 K5 55.472(19) 2_775 1_655 ?
P5 K4 K5 121.919(19) 2_775 1_655 ?
K1 K4 K5 82.375(19) 2_775 1_655 ?
O4 K5 O10 139.92(8) 2_675 1_455 ?
O4 K5 O9 94.07(10) 2_675 1_565 ?
O10 K5 O9 122.02(10) 1_455 1_565 ?
O4 K5 O8 111.59(10) 2_675 2_675 ?
O10 K5 O8 89.31(11) 1_455 2_675 ?
O9 K5 O8 86.38(10) 1_565 2_675 ?
O4 K5 O3 98.02(7) 2_675 . ?
O10 K5 O3 48.76(6) 1_455 . ?
O9 K5 O3 124.40(8) 1_565 . ?
O8 K5 O3 135.91(11) 2_675 . ?
O4 K5 O19 87.28(8) 2_675 . ?
O10 K5 O19 102.69(7) 1_455 . ?
O9 K5 O19 49.41(7) 1_565 . ?
O8 K5 O19 133.89(9) 2_675 . ?
O3 K5 O19 77.16(6) . . ?
O4 K5 O2 76.02(7) 2_675 . ?
O10 K5 O2 65.13(7) 1_455 . ?
O9 K5 O2 165.96(9) 1_565 . ?
O8 K5 O2 106.40(9) 2_675 . ?
O3 K5 O2 49.16(6) . . ?
O19 K5 O2 119.13(7) . . ?
O4 K5 O6 69.80(8) 2_675 2_675 ?
O10 K5 O6 106.20(8) 1_455 2_675 ?
O9 K5 O6 113.03(9) 1_565 2_675 ?
O8 K5 O6 48.58(8) 2_675 2_675 ?
O3 K5 O6 122.12(7) . 2_675 ?
O19 K5 O6 151.08(8) . 2_675 ?
O2 K5 O6 73.28(7) . 2_675 ?
O4 K5 O12 171.62(8) 2_675 1_455 ?
O10 K5 O12 46.01(7) 1_455 1_455 ?
O9 K5 O12 83.49(9) 1_565 1_455 ?
O8 K5 O12 60.33(10) 2_675 1_455 ?
O3 K5 O12 89.94(6) . 1_455 ?
O19 K5 O12 97.10(8) . 1_455 ?
O2 K5 O12 107.69(7) . 1_455 ?
O6 K5 O12 103.72(8) 2_675 1_455 ?
O4 K5 B1 121.90(9) 2_675 2_676 ?
O10 K5 B1 25.03(8) 1_455 2_676 ?
O9 K5 B1 122.05(10) 1_565 2_676 ?
O8 K5 B1 114.30(11) 2_675 2_676 ?
O3 K5 B1 24.65(7) . 2_676 ?
O19 K5 B1 85.66(8) . 2_676 ?
O2 K5 B1 58.42(8) . 2_676 ?
O6 K5 B1 121.11(9) 2_675 2_676 ?
O12 K5 B1 65.76(8) 1_455 2_676 ?
O4 K5 P1 91.92(6) 2_675 2_675 ?
O10 K5 P1 96.80(6) 1_455 2_675 ?
O9 K5 P1 101.35(7) 1_565 2_675 ?
O8 K5 P1 23.83(7) 2_675 2_675 ?
O3 K5 P1 131.97(5) . 2_675 ?
O19 K5 P1 150.52(5) . 2_675 ?
O2 K5 P1 89.07(5) . 2_675 ?
O6 K5 P1 24.84(5) 2_675 2_675 ?
O12 K5 P1 80.74(6) 1_455 2_675 ?
B1 K5 P1 119.01(7) 2_676 2_675 ?
O4 K5 P5 160.85(6) 2_675 1_455 ?
O10 K5 P5 22.85(5) 1_455 1_455 ?
O9 K5 P5 105.01(9) 1_565 1_455 ?
O8 K5 P5 71.90(9) 2_675 1_455 ?
O3 K5 P5 70.02(5) . 1_455 ?
O19 K5 P5 103.83(6) . 1_455 ?
O2 K5 P5 84.91(5) . 1_455 ?
O6 K5 P5 103.24(6) 2_675 1_455 ?
O12 K5 P5 23.55(5) 1_455 1_455 ?
B1 K5 P5 45.39(6) 2_676 1_455 ?
P1 K5 P5 85.94(3) 2_675 1_455 ?
O12 K6 O8 74.20(12) 1_445 2_665 ?
O12 K6 O4 151.08(10) 1_445 . ?
O8 K6 O4 90.87(11) 2_665 . ?
O12 K6 O5 85.27(9) 1_445 . ?
O8 K6 O5 158.70(12) 2_665 . ?
O4 K6 O5 105.09(8) . . ?
O12 K6 O6 130.11(11) 1_445 . ?
O8 K6 O6 97.48(12) 2_665 . ?
O4 K6 O6 75.46(8) . . ?
O5 K6 O6 100.10(9) . . ?
O12 K6 O1 104.37(9) 1_445 . ?
O8 K6 O1 90.31(9) 2_665 . ?
O4 K6 O1 50.04(7) . . ?
O5 K6 O1 89.36(8) . . ?
O6 K6 O1 125.09(8) . . ?
O12 K6 K1 58.27(8) 1_445 2_665 ?
O8 K6 K1 56.72(9) 2_665 2_665 ?
O4 K6 K1 92.81(6) . 2_665 ?
O5 K6 K1 107.54(6) . 2_665 ?
O6 K6 K1 152.00(8) . 2_665 ?
O1 K6 K1 52.35(4) . 2_665 ?
O12 K6 K5 138.70(7) 1_445 2_675 ?
O8 K6 K5 65.16(10) 2_665 2_675 ?
O4 K6 K5 40.70(5) . 2_675 ?
O5 K6 K5 135.85(6) . 2_675 ?
O6 K6 K5 52.78(7) . 2_675 ?
O1 K6 K5 83.44(5) . 2_675 ?
K1 K6 K5 102.05(3) 2_665 2_675 ?
O12 K6 K8 43.86(7) 1_445 2_666 ?
O8 K6 K8 117.85(10) 2_665 2_666 ?
O4 K6 K8 145.08(6) . 2_666 ?
O5 K6 K8 42.56(6) . 2_666 ?
O6 K6 K8 116.43(8) . 2_666 ?
O1 K6 K8 106.81(6) . 2_666 ?
K1 K6 K8 87.80(3) 2_665 2_666 ?
K5 K6 K8 168.94(4) 2_675 2_666 ?
O12 K6 K5 56.52(8) 1_445 1_545 ?
O8 K6 K5 43.28(8) 2_665 1_545 ?
O4 K6 K5 126.10(6) . 1_545 ?
O5 K6 K5 127.39(6) . 1_545 ?
O6 K6 K5 83.42(6) . 1_545 ?
O1 K6 K5 131.12(5) . 1_545 ?
K1 K6 K5 83.37(2) 2_665 1_545 ?
K5 K6 K5 87.49(2) 2_675 1_545 ?
K8 K6 K5 88.68(3) 2_666 1_545 ?
O12 K6 K7 77.00(8) 1_445 2_676 ?
O8 K6 K7 131.33(10) 2_665 2_676 ?
O4 K6 K7 96.14(6) . 2_676 ?
O5 K6 K7 34.53(6) . 2_676 ?
O6 K6 K7 130.93(7) . 2_676 ?
O1 K6 K7 60.20(5) . 2_676 ?
K1 K6 K7 74.82(2) 2_665 2_676 ?
K5 K6 K7 136.84(3) 2_675 2_676 ?
K8 K6 K7 50.42(3) 2_666 2_676 ?
K5 K6 K7 133.33(2) 1_545 2_676 ?
O14 K7 O15 70.53(7) . . ?
O14 K7 O19 84.29(7) . . ?
O15 K7 O19 147.88(8) . . ?
O14 K7 O5 121.24(8) . 2_676 ?
O15 K7 O5 92.75(8) . 2_676 ?
O19 K7 O5 117.78(8) . 2_676 ?
O14 K7 O17 132.32(8) . . ?
O15 K7 O17 140.77(10) . . ?
O19 K7 O17 50.65(8) . . ?
O5 K7 O17 96.40(9) 2_676 . ?
O14 K7 O16 81.34(7) . 2_676 ?
O15 K7 O16 106.46(7) . 2_676 ?
O19 K7 O16 88.44(7) . 2_676 ?
O5 K7 O16 49.09(7) 2_676 2_676 ?
O17 K7 O16 108.30(10) . 2_676 ?
O14 K7 O18 107.91(8) . 2_786 ?
O15 K7 O18 46.74(6) . 2_786 ?
O19 K7 O18 130.84(7) . 2_786 ?
O5 K7 O18 96.57(7) 2_676 2_786 ?
O17 K7 O18 94.24(9) . 2_786 ?
O16 K7 O18 139.65(7) 2_676 2_786 ?
O14 K7 P4 101.08(6) . 2_676 ?
O15 K7 P4 97.78(5) . 2_676 ?
O19 K7 P4 106.58(6) . 2_676 ?
O5 K7 P4 23.64(5) 2_676 2_676 ?
O17 K7 P4 105.70(9) . 2_676 ?
O16 K7 P4 25.69(4) 2_676 2_676 ?
O18 K7 P4 116.72(5) 2_786 2_676 ?
O14 K7 K8 152.17(7) . 1_565 ?
O15 K7 K8 127.00(6) . 1_565 ?
O19 K7 K8 84.21(6) . 1_565 ?
O5 K7 K8 45.74(6) 2_676 1_565 ?
O17 K7 K8 50.67(8) . 1_565 ?
O16 K7 K8 73.10(5) 2_676 1_565 ?
O18 K7 K8 98.77(6) 2_786 1_565 ?
P4 K7 K8 58.55(3) 2_676 1_565 ?
O14 K7 P3 102.05(6) . 2_786 ?
O15 K7 P3 59.83(5) . 2_786 ?
O19 K7 P3 108.85(6) . 2_786 ?
O5 K7 P3 117.34(6) 2_676 2_786 ?
O17 K7 P3 82.26(9) . 2_786 ?
O16 K7 P3 162.57(5) 2_676 2_786 ?
O18 K7 P3 23.03(5) 2_786 2_786 ?
P4 K7 P3 139.14(3) 2_676 2_786 ?
K8 K7 P3 105.64(4) 1_565 2_786 ?
O14 K7 K2 49.04(6) . 2_776 ?
O15 K7 K2 43.73(5) . 2_776 ?
O19 K7 K2 104.49(6) . 2_776 ?
O5 K7 K2 136.03(6) 2_676 2_776 ?
O17 K7 K2 120.75(9) . 2_776 ?
O16 K7 K2 125.65(5) 2_676 2_776 ?
O18 K7 K2 60.79(5) 2_786 2_776 ?
P4 K7 K2 133.49(3) 2_676 2_776 ?
K8 K7 K2 158.78(4) 1_565 2_776 ?
P3 K7 K2 53.36(2) 2_786 2_776 ?
O14 K7 K6 131.23(6) . 2_676 ?
O15 K7 K6 72.63(5) . 2_676 ?
O19 K7 K6 139.08(6) . 2_676 ?
O5 K7 K6 32.00(5) 2_676 2_676 ?
O17 K7 K6 96.32(7) . 2_676 ?
O16 K7 K6 79.63(5) 2_676 2_676 ?
O18 K7 K6 64.63(5) 2_786 2_676 ?
P4 K7 K6 54.05(2) 2_676 2_676 ?
K8 K7 K6 54.87(3) 1_565 2_676 ?
P3 K7 K6 85.55(3) 2_786 2_676 ?
K2 K7 K6 114.31(3) 2_776 2_676 ?
K8 K8 O5 77.37(15) 2_666 2_666 ?
K8 K8 O5 73.76(15) 2_666 . ?
O5 K8 O5 151.13(8) 2_666 . ?
K8 K8 O12 76.35(16) 2_666 1_445 ?
O5 K8 O12 90.67(9) 2_666 1_445 ?
O5 K8 O12 82.63(10) . 1_445 ?
K8 K8 O12 75.15(16) 2_666 2_776 ?
O5 K8 O12 83.17(9) 2_666 2_776 ?
O5 K8 O12 89.44(10) . 2_776 ?
O12 K8 O12 151.51(8) 1_445 2_776 ?
K8 K8 O17 177.5(2) 2_666 1_545 ?
O5 K8 O17 102.22(11) 2_666 1_545 ?
O5 K8 O17 106.62(11) . 1_545 ?
O12 K8 O17 106.18(12) 1_445 1_545 ?
O12 K8 O17 102.31(12) 2_776 1_545 ?
K8 K8 O11 98.31(15) 2_666 2_776 ?
O5 K8 O11 133.67(10) 2_666 2_776 ?
O5 K8 O11 52.56(8) . 2_776 ?
O12 K8 O11 133.76(10) 1_445 2_776 ?
O12 K8 O11 51.90(8) 2_776 2_776 ?
O17 K8 O11 80.13(9) 1_545 2_776 ?
K8 K8 P5 87.67(14) 2_666 2_776 ?
O5 K8 P5 106.14(8) 2_666 2_776 ?
O5 K8 P5 72.93(7) . 2_776 ?
O12 K8 P5 153.80(9) 1_445 2_776 ?
O12 K8 P5 24.15(6) 2_776 2_776 ?
O17 K8 P5 90.04(8) 1_545 2_776 ?
O11 K8 P5 27.95(5) 2_776 2_776 ?
K8 K8 P4 73.76(13) 2_666 2_666 ?
O5 K8 P4 22.11(6) 2_666 2_666 ?
O5 K8 P4 140.64(9) . 2_666 ?
O12 K8 P4 68.58(7) 1_445 2_666 ?
O12 K8 P4 103.07(8) 2_776 2_666 ?
O17 K8 P4 106.82(8) 1_545 2_666 ?
O11 K8 P4 154.87(8) 2_776 2_666 ?
P5 K8 P4 126.92(6) 2_776 2_666 ?
K8 K8 P5 70.67(14) 2_666 1_445 ?
O5 K8 P5 69.92(7) 2_666 1_445 ?
O5 K8 P5 100.02(8) . 1_445 ?
O12 K8 P5 20.84(6) 1_445 1_445 ?
O12 K8 P5 140.09(9) 2_776 1_445 ?
O17 K8 P5 111.62(8) 1_545 1_445 ?
O11 K8 P5 152.57(8) 2_776 1_445 ?
P5 K8 P5 158.34(6) 2_776 1_445 ?
P4 K8 P5 47.89(3) 2_666 1_445 ?
K8 K8 K7 127.61(15) 2_666 1_545 ?
O5 K8 K7 50.27(7) 2_666 1_545 ?
O5 K8 K7 158.57(9) . 1_545 ?
O12 K8 K7 102.58(8) 1_445 1_545 ?
O12 K8 K7 94.76(9) 2_776 1_545 ?
O17 K8 K7 51.96(8) 1_545 1_545 ?
O11 K8 K7 115.45(7) 2_776 1_545 ?
P5 K8 K7 103.62(5) 2_776 1_545 ?
P4 K8 K7 58.47(3) 2_666 1_545 ?
P5 K8 K7 90.18(4) 1_445 1_545 ?
K8 K8 K6 63.94(14) 2_666 2_666 ?
O5 K8 K6 42.77(6) 2_666 2_666 ?
O5 K8 K6 120.32(8) . 2_666 ?
O12 K8 K6 122.41(8) 1_445 2_666 ?
O12 K8 K6 41.51(6) 2_776 2_666 ?
O17 K8 K6 114.04(10) 1_545 2_666 ?
O11 K8 K6 93.41(6) 2_776 2_666 ?
P5 K8 K6 65.55(4) 2_776 2_666 ?
P4 K8 K6 61.58(3) 2_666 2_666 ?
P5 K8 K6 103.22(4) 1_445 2_666 ?
K7 K8 K6 74.70(4) 1_545 2_666 ?
O15 B1 O3 113.5(3) . 2_676 ?
O15 B1 O16 109.7(3) . . ?
O3 B1 O16 107.6(3) 2_676 . ?
O15 B1 O10 112.8(3) . 2_776 ?
O3 B1 O10 106.2(3) 2_676 2_776 ?
O16 B1 O10 106.7(3) . 2_776 ?
O15 B1 K5 145.2(2) . 2_676 ?
O3 B1 K5 57.80(15) 2_676 2_676 ?
O16 B1 K5 104.86(18) . 2_676 ?
O10 B1 K5 51.14(15) 2_776 2_676 ?
O15 B2 O1 112.9(3) . 2_676 ?
O15 B2 O18 110.9(3) . 2_786 ?
O1 B2 O18 104.9(3) 2_676 2_786 ?
O15 B2 O7 111.9(3) . 2_776 ?
O1 B2 O7 107.0(3) 2_676 2_776 ?
O18 B2 O7 108.9(3) 2_786 2_776 ?
O15 B2 K2 51.01(16) . 2_776 ?
O1 B2 K2 162.9(2) 2_676 2_776 ?
O18 B2 K2 88.17(19) 2_786 2_776 ?
O7 B2 K2 78.2(2) 2_776 2_776 ?
O15 B2 K1 142.8(2) . 1_566 ?
O1 B2 K1 58.74(15) 2_676 1_566 ?
O18 B2 K1 49.35(16) 2_786 1_566 ?
O7 B2 K1 104.9(2) 2_776 1_566 ?
K2 B2 K1 136.66(11) 2_776 1_566 ?
O8 P1 O6 115.2(2) . . ?
O8 P1 O7 108.5(2) . . ?
O6 P1 O7 111.38(18) . . ?
O8 P1 O9 109.3(2) . . ?
O6 P1 O9 108.5(2) . . ?
O7 P1 O9 103.42(15) . . ?
O8 P1 K5 51.09(15) . 2_675 ?
O6 P1 K5 64.38(13) . 2_675 ?
O7 P1 K5 123.63(10) . 2_675 ?
O9 P1 K5 132.17(11) . 2_675 ?
O8 P1 K5 72.90(18) . 1_545 ?
O6 P1 K5 113.58(13) . 1_545 ?
O7 P1 K5 128.68(11) . 1_545 ?
O9 P1 K5 38.85(13) . 1_545 ?
K5 P1 K5 97.68(3) 2_675 1_545 ?
O4 P2 O2 117.85(15) . . ?
O4 P2 O3 107.29(14) . . ?
O2 P2 O3 110.09(13) . . ?
O4 P2 O1 107.93(13) . . ?
O2 P2 O1 109.36(13) . . ?
O3 P2 O1 103.33(12) . . ?
O4 P2 K1 105.27(10) . 1_455 ?
O2 P2 K1 52.93(10) . 1_455 ?
O3 P2 K1 147.44(9) . 1_455 ?
O1 P2 K1 65.44(9) . 1_455 ?
O4 P2 K3 82.77(10) . 2_675 ?
O2 P2 K3 35.12(10) . 2_675 ?
O3 P2 K3 123.60(9) . 2_675 ?
O1 P2 K3 126.63(9) . 2_675 ?
K1 P2 K3 61.34(2) 1_455 2_675 ?
O17 P3 O19 117.66(18) . . ?
O17 P3 O18 111.44(19) . . ?
O19 P3 O18 110.06(15) . . ?
O17 P3 O9 108.6(2) . 1_565 ?
O19 P3 O9 105.60(18) . 1_565 ?
O18 P3 O9 102.16(14) . 1_565 ?
O17 P3 K2 48.77(14) . 1_565 ?
O19 P3 K2 165.20(11) . 1_565 ?
O18 P3 K2 82.97(10) . 1_565 ?
O9 P3 K2 77.37(14) 1_565 1_565 ?
O17 P3 K1 147.80(19) . 2_775 ?
O19 P3 K1 64.48(11) . 2_775 ?
O18 P3 K1 47.81(10) . 2_775 ?
O9 P3 K1 100.80(15) 1_565 2_775 ?
K2 P3 K1 129.78(3) 1_565 2_775 ?
O17 P3 K7 63.34(17) . 2_786 ?
O19 P3 K7 117.10(12) . 2_786 ?
O18 P3 K7 51.94(10) . 2_786 ?
O9 P3 K7 135.24(12) 1_565 2_786 ?
K2 P3 K7 64.91(3) 1_565 2_786 ?
K1 P3 K7 86.60(3) 2_775 2_786 ?
O5 P4 O14 118.10(16) . . ?
O5 P4 O16 109.46(15) . . ?
O14 P4 O16 113.41(14) . . ?
O5 P4 O11 108.61(15) . 2_776 ?
O14 P4 O11 102.36(15) . 2_776 ?
O16 P4 O11 103.53(13) . 2_776 ?
O5 P4 K7 51.31(11) . 2_676 ?
O14 P4 K7 131.09(11) . 2_676 ?
O16 P4 K7 58.91(9) . 2_676 ?
O11 P4 K7 126.55(10) 2_776 2_676 ?
O5 P4 K8 43.01(11) . 2_666 ?
O14 P4 K8 148.67(11) . 2_666 ?
O16 P4 K8 97.78(10) . 2_666 ?
O11 P4 K8 71.67(10) 2_776 2_666 ?
K7 P4 K8 62.98(4) 2_676 2_666 ?
O5 P4 K2 155.52(12) . 2_776 ?
O14 P4 K2 55.87(11) . 2_776 ?
O16 P4 K2 93.59(9) . 2_776 ?
O11 P4 K2 56.09(10) 2_776 2_776 ?
K7 P4 K2 152.48(3) 2_676 2_776 ?
K8 P4 K2 127.75(4) 2_666 2_776 ?
O12 P5 O13 116.85(19) . . ?
O12 P5 O10 111.50(18) . . ?
O13 P5 O10 109.75(16) . . ?
O12 P5 O11 108.45(16) . . ?
O13 P5 O11 106.55(16) . . ?
O10 P5 O11 102.65(13) . . ?
O12 P5 K1 67.82(14) . 2_775 ?
O13 P5 K1 50.95(13) . 2_775 ?
O10 P5 K1 118.41(10) . 2_775 ?
O11 P5 K1 137.45(9) . 2_775 ?
O12 P5 K8 50.08(13) . 2_776 ?
O13 P5 K8 122.78(13) . 2_776 ?
O10 P5 K8 127.14(11) . 2_776 ?
O11 P5 K8 58.94(10) . 2_776 ?
K1 P5 K8 100.00(4) 2_775 2_776 ?
O12 P5 K8 41.57(13) . 1_665 ?
O13 P5 K8 142.06(13) . 1_665 ?
O10 P5 K8 107.90(11) . 1_665 ?
O11 P5 K8 69.05(10) . 1_665 ?
K1 P5 K8 105.61(4) 2_775 1_665 ?
K8 P5 K8 21.66(6) 2_776 1_665 ?
O12 P5 K5 68.60(14) . 1_655 ?
O13 P5 K5 122.48(12) . 1_655 ?
O10 P5 K5 44.16(10) . 1_655 ?
O11 P5 K5 126.63(10) . 1_655 ?
K1 P5 K5 92.66(3) 2_775 1_655 ?
K8 P5 K5 104.00(4) 2_776 1_655 ?
K8 P5 K5 82.78(4) 1_665 1_655 ?
B2 O1 P2 117.8(2) 2_676 . ?
B2 O1 K1 96.30(17) 2_676 2_665 ?
P2 O1 K1 145.71(12) . 2_665 ?
B2 O1 K1 99.99(19) 2_676 1_455 ?
P2 O1 K1 86.81(10) . 1_455 ?
K1 O1 K1 84.12(6) 2_665 1_455 ?
B2 O1 K6 132.2(2) 2_676 . ?
P2 O1 K6 86.25(9) . . ?
K1 O1 K6 71.66(5) 2_665 . ?
K1 O1 K6 123.32(8) 1_455 . ?
P2 O2 K3 126.06(14) . 2_675 ?
P2 O2 K1 101.88(12) . 1_455 ?
K3 O2 K1 84.39(7) 2_675 1_455 ?
P2 O2 K4 133.56(13) . 1_455 ?
K3 O2 K4 100.18(8) 2_675 1_455 ?
K1 O2 K4 85.09(7) 1_455 1_455 ?
P2 O2 K5 93.43(11) . . ?
K3 O2 K5 88.05(7) 2_675 . ?
K1 O2 K5 164.59(10) 1_455 . ?
K4 O2 K5 83.05(6) 1_455 . ?
B1 O3 P2 119.8(2) 2_676 . ?
B1 O3 K5 97.55(17) 2_676 . ?
P2 O3 K5 96.75(10) . . ?
B1 O3 K3 144.9(2) 2_676 . ?
P2 O3 K3 94.37(10) . . ?
K5 O3 K3 85.18(6) . . ?
P2 O4 K5 147.06(16) . 2_675 ?
P2 O4 K6 107.18(13) . . ?
K5 O4 K6 96.74(8) 2_675 . ?
P2 O4 K3 105.84(12) . . ?
K5 O4 K3 97.00(8) 2_675 . ?
K6 O4 K3 88.29(8) . . ?
P4 O5 K8 114.88(15) . 2_666 ?
P4 O5 K6 133.47(16) . . ?
K8 O5 K6 94.67(8) 2_666 . ?
P4 O5 K8 106.06(14) . . ?
K8 O5 K8 28.87(8) 2_666 . ?
K6 O5 K8 82.46(8) . . ?
P4 O5 K7 105.05(13) . 2_676 ?
K8 O5 K7 83.99(9) 2_666 2_676 ?
K6 O5 K7 113.48(9) . 2_676 ?
K8 O5 K7 112.85(10) . 2_676 ?
P1 O6 K6 110.22(15) . . ?
P1 O6 K2 102.13(15) . . ?
K6 O6 K2 100.80(11) . . ?
P1 O6 K3 163.31(19) . . ?
K6 O6 K3 84.42(8) . . ?
K2 O6 K3 82.15(8) . . ?
P1 O6 K5 90.77(15) . 2_675 ?
K6 O6 K5 83.48(8) . 2_675 ?
K2 O6 K5 163.85(11) . 2_675 ?
K3 O6 K5 82.78(8) . 2_675 ?
B2 O7 P1 133.1(2) 2_776 . ?
B2 O7 K4 124.62(19) 2_776 . ?
P1 O7 K4 96.91(12) . . ?
B2 O7 K1 105.4(2) 2_776 . ?
P1 O7 K1 102.48(14) . . ?
K4 O7 K1 79.44(7) . . ?
P1 O8 K6 155.0(2) . 2_665 ?
P1 O8 K5 105.09(18) . 2_675 ?
K6 O8 K5 96.79(11) 2_665 2_675 ?
P1 O8 K1 101.06(18) . . ?
K6 O8 K1 77.45(10) 2_665 . ?
K5 O8 K1 120.39(15) 2_675 . ?
P1 O9 P3 131.74(19) . 1_545 ?
P1 O9 K5 120.30(18) . 1_545 ?
P3 O9 K5 104.46(13) 1_545 1_545 ?
B1 O10 P5 128.9(2) 2_776 . ?
B1 O10 K5 103.83(18) 2_776 1_655 ?
P5 O10 K5 112.99(13) . 1_655 ?
B1 O10 K4 120.45(19) 2_776 . ?
P5 O10 K4 97.41(11) . . ?
K5 O10 K4 85.10(7) 1_655 . ?
P5 O11 P4 129.00(16) . 2_776 ?
P5 O11 K2 137.14(13) . 2_776 ?
P4 O11 K2 93.58(10) 2_776 2_776 ?
P5 O11 K8 93.10(11) . 2_776 ?
P4 O11 K8 92.71(12) 2_776 2_776 ?
K2 O11 K8 88.97(8) 2_776 2_776 ?
P5 O11 K2 95.45(11) . . ?
P4 O11 K2 97.04(11) 2_776 . ?
K2 O11 K2 71.49(6) 2_776 . ?
K8 O11 K2 158.60(10) 2_776 . ?
P5 O12 K6 158.60(19) . 1_665 ?
P5 O12 K8 117.59(17) . 1_665 ?
K6 O12 K8 83.53(9) 1_665 1_665 ?
P5 O12 K8 105.77(16) . 2_776 ?
K6 O12 K8 94.63(9) 1_665 2_776 ?
K8 O12 K8 28.49(8) 1_665 2_776 ?
P5 O12 K1 86.53(14) . 2_775 ?
K6 O12 K1 76.24(8) 1_665 2_775 ?
K8 O12 K1 145.31(12) 1_665 2_775 ?
K8 O12 K1 125.38(13) 2_776 2_775 ?
P5 O12 K5 87.86(14) . 1_655 ?
K6 O12 K5 83.56(9) 1_665 1_655 ?
K8 O12 K5 103.21(11) 1_665 1_655 ?
K8 O12 K5 130.64(13) 2_776 1_655 ?
K1 O12 K5 102.18(9) 2_775 1_655 ?
P5 O13 K1 104.10(16) . 2_775 ?
P5 O13 K3 168.70(18) . . ?
K1 O13 K3 84.26(8) 2_775 . ?
P5 O13 K4 96.68(13) . . ?
K1 O13 K4 81.48(8) 2_775 . ?
K3 O13 K4 92.03(8) . . ?
P5 O13 K2 92.17(14) . . ?
K1 O13 K2 163.51(11) 2_775 . ?
K3 O13 K2 79.26(8) . . ?
K4 O13 K2 99.52(9) . . ?
P4 O14 K3 129.63(15) . . ?
P4 O14 K7 107.55(13) . . ?
K3 O14 K7 93.57(8) . . ?
P4 O14 K2 96.53(12) . . ?
K3 O14 K2 84.85(7) . . ?
K7 O14 K2 149.47(10) . . ?
P4 O14 K2 99.93(12) . 2_776 ?
K3 O14 K2 127.29(9) . 2_776 ?
K7 O14 K2 86.12(7) . 2_776 ?
K2 O14 K2 71.18(6) . 2_776 ?
B2 O15 B1 124.6(3) . . ?
B2 O15 K2 105.34(19) . 2_776 ?
B1 O15 K2 116.4(2) . 2_776 ?
B2 O15 K7 105.7(2) . . ?
B1 O15 K7 108.3(2) . . ?
K2 O15 K7 90.86(8) 2_776 . ?
B1 O16 P4 123.7(2) . . ?
B1 O16 K7 134.57(19) . 2_676 ?
P4 O16 K7 95.40(10) . 2_676 ?
P3 O17 K2 107.88(17) . 1_565 ?
P3 O17 K8 124.7(2) . 1_565 ?
K2 O17 K8 91.54(12) 1_565 1_565 ?
P3 O17 K7 92.31(15) . . ?
K2 O17 K7 159.78(12) 1_565 . ?
K8 O17 K7 77.37(9) 1_565 . ?
B2 O18 P3 129.1(2) 2_786 . ?
B2 O18 K1 106.5(2) 2_786 2_775 ?
P3 O18 K1 107.26(12) . 2_775 ?
B2 O18 K7 90.41(19) 2_786 2_786 ?
P3 O18 K7 105.03(12) . 2_786 ?
K1 O18 K7 118.93(8) 2_775 2_786 ?
P3 O19 K3 166.34(16) . . ?
P3 O19 K7 98.64(13) . . ?
K3 O19 K7 90.87(7) . . ?
P3 O19 K5 97.72(13) . . ?
K3 O19 K5 87.29(7) . . ?
K7 O19 K5 113.62(9) . . ?
P3 O19 K1 91.03(11) . 2_775 ?
K3 O19 K1 75.32(7) . 2_775 ?
K7 O19 K1 134.16(10) . 2_775 ?
K5 O19 K1 109.19(8) . 2_775 ?

_diffrn_measured_fraction_theta_max 0.992
_diffrn_reflns_theta_full        27.49
_diffrn_measured_fraction_theta_full 0.992
_refine_diff_density_max         0.938
_refine_diff_density_min         -0.692
_refine_diff_density_rms         0.114
_database_code_depnum_ccdc_archive 'CCDC 995146'
