#------------------------------------------------------------------------------
#$Date: 2016-03-23 01:33:47 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179146 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/07/4310716.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4310716
loop_
_publ_author_name
'Carmela Magliocchi'
'Xiaobing Xie'
'Timothy Hughbanks'
_publ_section_title
;
 Cyanide-Melt Synthesis of Reduced Molybdenum Selenide Clusters
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1902
_journal_page_last               1911
_journal_paper_doi               10.1021/ic035050u
_journal_volume                  43
_journal_year                    2004
_chemical_formula_sum            'C13 H4 K7 Mo4 N12 Na O6 Se4'
_chemical_formula_weight         1420.57
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.8498(5)
_cell_length_b                   12.2360(6)
_cell_length_c                   24.4645(11)
_cell_measurement_temperature    110(2)
_cell_volume                     3547.2(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      110(2)
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0233
_diffrn_reflns_av_sigmaI/netI    0.0262
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            22689
_diffrn_reflns_theta_full        28.28
_diffrn_reflns_theta_max         28.28
_diffrn_reflns_theta_min         1.86
_exptl_absorpt_coefficient_mu    6.370
_exptl_absorpt_correction_T_max  0.5979
_exptl_absorpt_correction_T_min  0.2140
_exptl_crystal_density_diffrn    2.660
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2648
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.09
_refine_diff_density_max         0.782
_refine_diff_density_min         -1.052
_refine_diff_density_rms         0.109
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.011(4)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     452
_refine_ls_number_reflns         8470
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.043
_refine_ls_R_factor_all          0.0217
_refine_ls_R_factor_gt           0.0203
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0274P)²+1.3496P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0492
_refine_ls_wR_factor_ref         0.0495
_reflns_number_gt                8133
_reflns_number_total             8470
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic035050usi20031203_012455_2.cif
_cod_data_source_block           NaK7Mo4Se4(CN)12_5H2O_MeOH_(5)
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               4310716
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Mo1 Mo 0.78478(2) 0.95341(2) 0.595582(13) 0.01055(6) Uani 1 1 d . . .
Mo2 Mo 0.62061(2) 0.98105(2) 0.682804(12) 0.01079(6) Uani 1 1 d . . .
Mo3 Mo 0.62337(2) 1.13417(2) 0.591893(12) 0.01080(6) Uani 1 1 d . . .
Mo4 Mo 0.80647(2) 1.13495(2) 0.671088(12) 0.01123(6) Uani 1 1 d . . .
Se1 Se 0.82518(3) 0.93736(3) 0.695922(14) 0.01233(7) Uani 1 1 d . . .
Se2 Se 0.57595(3) 0.93608(3) 0.585677(14) 0.01257(7) Uani 1 1 d . . .
Se3 Se 0.60536(3) 1.18560(3) 0.691128(14) 0.01289(7) Uani 1 1 d . . .
Se4 Se 0.82876(3) 1.14804(3) 0.569207(14) 0.01257(7) Uani 1 1 d . . .
C11 C 0.7851(3) 0.9186(3) 0.50802(16) 0.0160(7) Uani 1 1 d . . .
N11 N 0.7868(3) 0.8938(3) 0.46264(13) 0.0188(7) Uani 1 1 d . . .
C12 C 0.7835(3) 0.7757(3) 0.59905(15) 0.0154(7) Uani 1 1 d . . .
N12 N 0.7854(3) 0.6806(3) 0.59913(15) 0.0229(7) Uani 1 1 d . . .
C13 C 0.9649(3) 0.9262(3) 0.58650(15) 0.0163(7) Uani 1 1 d . . .
N13 N 1.0602(3) 0.9095(3) 0.58081(15) 0.0224(7) Uani 1 1 d . . .
C21 C 0.6116(3) 0.9775(3) 0.77165(15) 0.0144(7) Uani 1 1 d . . .
N21 N 0.6014(3) 0.9702(3) 0.81864(13) 0.0215(7) Uani 1 1 d . . .
C22 C 0.5968(3) 0.8070(3) 0.69357(14) 0.0132(7) Uani 1 1 d . . .
N22 N 0.5820(3) 0.7138(3) 0.69885(13) 0.0184(7) Uani 1 1 d . . .
C23 C 0.4388(3) 0.9778(3) 0.69427(16) 0.0178(8) Uani 1 1 d . . .
N23 N 0.3420(3) 0.9696(3) 0.70228(15) 0.0277(8) Uani 1 1 d . . .
C31 C 0.4418(3) 1.1547(3) 0.58800(15) 0.0157(7) Uani 1 1 d . . .
N31 N 0.3447(3) 1.1675(3) 0.58362(15) 0.0252(8) Uani 1 1 d . . .
C32 C 0.6009(3) 1.1333(3) 0.50396(15) 0.0161(7) Uani 1 1 d . . .
N32 N 0.5874(3) 1.1388(3) 0.45729(13) 0.0242(7) Uani 1 1 d . . .
C33 C 0.6156(3) 1.3099(3) 0.57655(15) 0.0172(7) Uani 1 1 d . . .
N33 N 0.6069(3) 1.4023(3) 0.56529(14) 0.0256(8) Uani 1 1 d . . .
C41 C 0.8371(3) 1.1623(3) 0.75806(16) 0.0174(8) Uani 1 1 d . . .
N41 N 0.8587(3) 1.1820(3) 0.80302(14) 0.0263(8) Uani 1 1 d . . .
C42 C 0.9894(3) 1.1368(3) 0.66973(15) 0.0160(7) Uani 1 1 d . . .
N42 N 1.0866(3) 1.1400(3) 0.66801(14) 0.0248(7) Uani 1 1 d . . .
C43 C 0.8373(3) 1.3096(3) 0.66973(15) 0.0176(7) Uani 1 1 d . . .
N43 N 0.8596(3) 1.4011(3) 0.67106(16) 0.0289(8) Uani 1 1 d . . .
K1 K 0.83038(9) 1.10310(7) 0.42264(4) 0.02578(19) Uani 1 1 d . . 3
K2 K 0.64214(7) 1.49956(8) 0.67599(4) 0.02437(18) Uani 1 1 d . . 3
K3 K 1.11942(8) 1.13141(8) 0.55339(4) 0.0280(2) Uani 1 1 d . . 3
K4 K 0.30175(8) 1.21165(8) 0.70052(4) 0.0272(2) Uani 1 1 d . . 3
K5 K 1.11174(8) 0.92100(9) 0.71017(5) 0.0347(2) Uani 1 1 d . . 3
K6 K 0.63262(7) 1.19743(8) 0.85214(4) 0.02458(19) Uani 1 1 d . . 3
K7 K 0.9535(2) 0.7303(2) 0.50620(6) 0.0295(7) Uani 0.610(6) 1 d P . 3
K7A K 0.8903(5) 0.6830(3) 0.49323(17) 0.0476(18) Uani 0.390(6) 1 d P . 3
Na1 Na 0.37052(17) 1.03487(16) 0.44452(10) 0.0437(5) Uani 1 1 d . . 2
O14 O 0.5005(3) 0.9592(3) 0.37752(14) 0.0326(7) Uani 1 1 d . . 1
C14 C 0.5571(4) 0.8834(4) 0.41359(18) 0.0334(11) Uani 1 1 d . . 1
O11 O 1.0411(3) 0.8584(3) 0.42698(13) 0.0305(7) Uani 1 1 d . . .
O12 O 0.6590(3) 1.1115(3) 0.33976(13) 0.0367(8) Uani 1 1 d . . .
O13 O 0.1532(3) 1.1436(3) 0.78362(14) 0.0433(9) Uani 1 1 d . . .
O15 O 0.7889(6) 0.6280(5) 0.4061(6) 0.065(4) Uani 0.638(16) 1 d P . .
O15A O 0.8019(7) 0.5925(12) 0.4520(7) 0.044(5) Uani 0.362(16) 1 d P . .
O31 O 0.3372(7) 1.0250(7) 0.4784(4) 0.0197(18) Uiso 0.33 1 d P . .
O32 O 0.5674(8) 0.8113(9) 0.4489(5) 0.041(3) Uani 0.33 1 d P . .
O33 O 0.4889(6) 1.0379(6) 0.3971(3) 0.0068(13) Uiso 0.33 1 d P . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Se Se -0.0929 2.2259 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -1.6832 0.6857 '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'
K K 0.2009 0.2494 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.0362 0.0249 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C13 Mo1 C12 81.84(13) . . ?
C13 Mo1 C11 82.41(14) . . ?
C12 Mo1 C11 80.98(14) . . ?
C13 Mo1 Se2 162.12(10) . . ?
C12 Mo1 Se2 84.93(9) . . ?
C11 Mo1 Se2 83.69(9) . . ?
C13 Mo1 Se1 84.29(10) . . ?
C12 Mo1 Se1 83.40(10) . . ?
C11 Mo1 Se1 160.74(10) . . ?
Se2 Mo1 Se1 106.118(16) . . ?
C13 Mo1 Se4 85.14(10) . . ?
C12 Mo1 Se4 162.76(10) . . ?
C11 Mo1 Se4 86.16(10) . . ?
Se2 Mo1 Se4 105.091(16) . . ?
Se1 Mo1 Se4 106.549(16) . . ?
C13 Mo1 Mo4 95.47(10) . . ?
C12 Mo1 Mo4 137.82(10) . . ?
C11 Mo1 Mo4 140.71(10) . . ?
Se2 Mo1 Mo4 102.403(14) . . ?
Se1 Mo1 Mo4 54.541(12) . . ?
Se4 Mo1 Mo4 54.646(12) . . ?
C13 Mo1 Mo2 138.64(10) . . ?
C12 Mo1 Mo2 94.75(10) . . ?
C11 Mo1 Mo2 138.06(9) . . ?
Se2 Mo1 Mo2 54.381(12) . . ?
Se1 Mo1 Mo2 54.454(12) . . ?
Se4 Mo1 Mo2 102.486(14) . . ?
Mo4 Mo1 Mo2 60.181(10) . . ?
C13 Mo1 Mo3 139.05(10) . . ?
C12 Mo1 Mo3 138.76(9) . . ?
C11 Mo1 Mo3 96.81(10) . . ?
Se2 Mo1 Mo3 54.050(12) . . ?
Se1 Mo1 Mo3 102.365(14) . . ?
Se4 Mo1 Mo3 54.074(12) . . ?
Mo4 Mo1 Mo3 59.904(10) . . ?
Mo2 Mo1 Mo3 59.814(10) . . ?
C13 Mo1 K7 49.67(11) . . ?
C12 Mo1 K7 49.29(10) . . ?
C11 Mo1 K7 48.27(10) . . ?
Se2 Mo1 K7 112.45(4) . . ?
Se1 Mo1 K7 112.54(3) . . ?
Se4 Mo1 K7 113.47(4) . . ?
Mo4 Mo1 K7 145.14(4) . . ?
Mo2 Mo1 K7 144.03(4) . . ?
Mo3 Mo1 K7 145.08(3) . . ?
C22 Mo2 C23 80.62(14) . . ?
C22 Mo2 C21 81.52(13) . . ?
C23 Mo2 C21 79.76(14) . . ?
C22 Mo2 Se2 82.60(9) . . ?
C23 Mo2 Se2 84.76(11) . . ?
C21 Mo2 Se2 159.39(9) . . ?
C22 Mo2 Se1 84.29(9) . . ?
C23 Mo2 Se1 160.01(10) . . ?
C21 Mo2 Se1 85.13(9) . . ?
Se2 Mo2 Se1 106.278(16) . . ?
C22 Mo2 Se3 163.53(9) . . ?
C23 Mo2 Se3 86.36(10) . . ?
C21 Mo2 Se3 86.29(9) . . ?
Se2 Mo2 Se3 106.320(16) . . ?
Se1 Mo2 Se3 105.752(16) . . ?
C22 Mo2 Mo1 93.56(9) . . ?
C23 Mo2 Mo1 139.12(11) . . ?
C21 Mo2 Mo1 139.76(9) . . ?
Se2 Mo2 Mo1 54.368(11) . . ?
Se1 Mo2 Mo1 54.634(12) . . ?
Se3 Mo2 Mo1 102.889(14) . . ?
C22 Mo2 Mo3 136.76(9) . . ?
C23 Mo2 Mo3 96.98(10) . . ?
C21 Mo2 Mo3 140.99(9) . . ?
Se2 Mo2 Mo3 54.291(12) . . ?
Se1 Mo2 Mo3 102.988(14) . . ?
Se3 Mo2 Mo3 54.707(12) . . ?
Mo1 Mo2 Mo3 60.404(10) . . ?
C22 Mo2 Mo4 138.33(9) . . ?
C23 Mo2 Mo4 140.75(10) . . ?
C21 Mo2 Mo4 98.52(9) . . ?
Se2 Mo2 Mo4 102.078(14) . . ?
Se1 Mo2 Mo4 54.426(12) . . ?
Se3 Mo2 Mo4 54.501(12) . . ?
Mo1 Mo2 Mo4 59.794(10) . . ?
Mo3 Mo2 Mo4 59.973(10) . . ?
C32 Mo3 C31 80.50(13) . . ?
C32 Mo3 C33 80.16(14) . . ?
C31 Mo3 C33 80.60(14) . . ?
C32 Mo3 Se2 84.67(10) . . ?
C31 Mo3 Se2 83.48(10) . . ?
C33 Mo3 Se2 159.57(10) . . ?
C32 Mo3 Se4 84.25(10) . . ?
C31 Mo3 Se4 161.37(10) . . ?
C33 Mo3 Se4 86.32(10) . . ?
Se2 Mo3 Se4 105.766(15) . . ?
C32 Mo3 Se3 161.44(10) . . ?
C31 Mo3 Se3 85.94(10) . . ?
C33 Mo3 Se3 85.18(10) . . ?
Se2 Mo3 Se3 106.432(16) . . ?
Se4 Mo3 Se3 106.226(16) . . ?
C32 Mo3 Mo2 138.98(10) . . ?
C31 Mo3 Mo2 95.58(10) . . ?
C33 Mo3 Mo2 139.90(10) . . ?
Se2 Mo3 Mo2 54.389(12) . . ?
Se4 Mo3 Mo2 102.962(14) . . ?
Se3 Mo3 Mo2 54.725(12) . . ?
C32 Mo3 Mo4 138.83(10) . . ?
C31 Mo3 Mo4 140.26(10) . . ?
C33 Mo3 Mo4 98.19(10) . . ?
Se2 Mo3 Mo4 102.239(14) . . ?
Se4 Mo3 Mo4 54.688(12) . . ?
Se3 Mo3 Mo4 54.548(11) . . ?
Mo2 Mo3 Mo4 60.076(10) . . ?
C32 Mo3 Mo1 96.16(10) . . ?
C31 Mo3 Mo1 137.55(10) . . ?
C33 Mo3 Mo1 140.97(10) . . ?
Se2 Mo3 Mo1 54.135(11) . . ?
Se4 Mo3 Mo1 54.703(12) . . ?
Se3 Mo3 Mo1 102.399(14) . . ?
Mo2 Mo3 Mo1 59.783(10) . . ?
Mo4 Mo3 Mo1 59.622(10) . . ?
C42 Mo4 C43 79.71(14) . . ?
C42 Mo4 C41 81.21(14) . . ?
C43 Mo4 C41 80.55(14) . . ?
C42 Mo4 Se1 85.70(10) . . ?
C43 Mo4 Se1 160.21(10) . . ?
C41 Mo4 Se1 84.09(10) . . ?
C42 Mo4 Se3 161.71(10) . . ?
C43 Mo4 Se3 85.38(10) . . ?
C41 Mo4 Se3 85.97(9) . . ?
Se1 Mo4 Se3 105.972(16) . . ?
C42 Mo4 Se4 83.05(10) . . ?
C43 Mo4 Se4 84.50(10) . . ?
C41 Mo4 Se4 159.96(10) . . ?
Se1 Mo4 Se4 107.049(16) . . ?
Se3 Mo4 Se4 106.136(16) . . ?
C42 Mo4 Mo1 94.98(10) . . ?
C43 Mo4 Mo1 139.46(10) . . ?
C41 Mo4 Mo1 138.81(10) . . ?
Se1 Mo4 Mo1 54.731(12) . . ?
Se3 Mo4 Mo1 103.257(14) . . ?
Se4 Mo4 Mo1 54.980(12) . . ?
C42 Mo4 Mo3 137.36(10) . . ?
C43 Mo4 Mo3 96.81(10) . . ?
C41 Mo4 Mo3 140.65(9) . . ?
Se1 Mo4 Mo3 102.978(14) . . ?
Se3 Mo4 Mo3 54.754(12) . . ?
Se4 Mo4 Mo3 54.386(12) . . ?
Mo1 Mo4 Mo3 60.474(10) . . ?
C42 Mo4 Mo2 139.85(10) . . ?
C43 Mo4 Mo2 140.02(10) . . ?
C41 Mo4 Mo2 97.41(10) . . ?
Se1 Mo4 Mo2 54.436(12) . . ?
Se3 Mo4 Mo2 54.725(12) . . ?
Se4 Mo4 Mo2 102.621(14) . . ?
Mo1 Mo4 Mo2 60.025(10) . . ?
Mo3 Mo4 Mo2 59.951(10) . . ?
Mo4 Se1 Mo2 71.138(13) . . ?
Mo4 Se1 Mo1 70.728(13) . . ?
Mo2 Se1 Mo1 70.913(13) . . ?
Mo4 Se1 K5 99.75(2) . . ?
Mo2 Se1 K5 170.87(2) . . ?
Mo1 Se1 K5 107.09(2) . . ?
Mo3 Se2 Mo1 71.816(13) . . ?
Mo3 Se2 Mo2 71.320(14) . . ?
Mo1 Se2 Mo2 71.251(13) . . ?
Mo3 Se2 K7A 128.40(7) . 4_466 ?
Mo1 Se2 K7A 139.68(12) . 4_466 ?
Mo2 Se2 K7A 143.42(9) . 4_466 ?
Mo3 Se2 K7 136.63(4) . 4_466 ?
Mo1 Se2 K7 122.98(5) . 4_466 ?
Mo2 Se2 K7 149.49(3) . 4_466 ?
K7A Se2 K7 17.25(9) 4_466 4_466 ?
Mo4 Se3 Mo3 70.698(13) . . ?
Mo4 Se3 Mo2 70.773(13) . . ?
Mo3 Se3 Mo2 70.568(13) . . ?
Mo4 Se3 K4 167.88(2) . . ?
Mo3 Se3 K4 99.643(19) . . ?
Mo2 Se3 K4 99.44(2) . . ?
Mo4 Se3 K2 96.835(18) . . ?
Mo3 Se3 K2 98.387(18) . . ?
Mo2 Se3 K2 165.360(19) . . ?
K4 Se3 K2 91.75(2) . . ?
Mo3 Se4 Mo4 70.926(13) . . ?
Mo3 Se4 Mo1 71.223(13) . . ?
Mo4 Se4 Mo1 70.374(14) . . ?
Mo3 Se4 K3 170.31(2) . . ?
Mo4 Se4 K3 102.197(19) . . ?
Mo1 Se4 K3 100.27(2) . . ?
Mo3 Se4 K1 102.36(2) . . ?
Mo4 Se4 K1 166.36(2) . . ?
Mo1 Se4 K1 96.363(19) . . ?
K3 Se4 K1 82.86(2) . . ?
N11 C11 Mo1 175.9(3) . . ?
N11 C11 K7 77.0(2) . . ?
Mo1 C11 K7 99.39(13) . . ?
N11 C11 K1 62.7(2) . . ?
Mo1 C11 K1 121.01(15) . . ?
K7 C11 K1 115.10(12) . . ?
N11 C11 K7A 69.1(2) . . ?
Mo1 C11 K7A 106.92(16) . . ?
K7 C11 K7A 18.39(9) . . ?
K1 C11 K7A 121.00(13) . . ?
C11 N11 K1 95.7(3) . . ?
C11 N11 K7A 89.6(3) . . ?
K1 N11 K7A 144.49(17) . . ?
C11 N11 K7 81.1(2) . . ?
K1 N11 K7 127.84(14) . . ?
K7A N11 K7 19.27(10) . . ?
C11 N11 K6 161.5(3) . 2_674 ?
K1 N11 K6 88.14(9) . 2_674 ?
K7A N11 K6 77.11(10) . 2_674 ?
K7 N11 K6 82.31(9) . 2_674 ?
N12 C12 Mo1 177.4(3) . . ?
N12 C12 K7 79.0(3) . . ?
Mo1 C12 K7 98.42(14) . . ?
N12 C12 K7A 68.1(3) . . ?
Mo1 C12 K7A 109.29(15) . . ?
K7 C12 K7A 18.58(9) . . ?
C12 N12 K7A 89.8(3) . . ?
C12 N12 Na1 151.6(3) . 4_566 ?
K7A N12 Na1 62.97(11) . 4_566 ?
C12 N12 K7 79.3(3) . . ?
K7A N12 K7 18.87(11) . . ?
Na1 N12 K7 72.28(10) 4_566 . ?
C12 N12 K2 130.5(3) . 1_545 ?
K7A N12 K2 136.80(16) . 1_545 ?
Na1 N12 K2 77.96(9) 4_566 1_545 ?
K7 N12 K2 150.22(12) . 1_545 ?
N13 C13 Mo1 178.2(4) . . ?
N13 C13 K7 80.2(3) . . ?
Mo1 C13 K7 98.06(13) . . ?
N13 C13 K3 63.3(2) . . ?
Mo1 C13 K3 117.80(14) . . ?
K7 C13 K3 117.99(13) . . ?
N13 C13 K5 67.3(3) . . ?
Mo1 C13 K5 113.82(14) . . ?
K7 C13 K5 123.81(12) . . ?
K3 C13 K5 87.07(9) . . ?
C13 N13 K3 95.7(3) . . ?
C13 N13 K7 78.4(3) . . ?
K3 N13 K7 128.61(13) . . ?
C13 N13 K5 93.4(3) . . ?
K3 N13 K5 98.10(10) . . ?
K7 N13 K5 132.95(12) . . ?
N21 C21 Mo2 175.4(3) . . ?
N21 C21 K2 61.5(2) . 3_646 ?
Mo2 C21 K2 115.68(13) . 3_646 ?
N21 C21 K6 59.1(2) . . ?
Mo2 C21 K6 124.65(14) . . ?
K2 C21 K6 76.83(8) 3_646 . ?
N21 C21 K4 76.4(2) . 3_646 ?
Mo2 C21 K4 101.51(12) . 3_646 ?
K2 C21 K4 105.72(10) 3_646 3_646 ?
K6 C21 K4 127.98(11) . 3_646 ?
C21 N21 K1 152.9(3) . 2_675 ?
C21 N21 K2 98.0(3) . 3_646 ?
K1 N21 K2 106.44(11) 2_675 3_646 ?
C21 N21 K6 101.0(3) . . ?
K1 N21 K6 90.76(10) 2_675 . ?
K2 N21 K6 89.75(9) 3_646 . ?
C21 N21 K4 84.2(2) . 3_646 ?
K1 N21 K4 74.39(8) 2_675 3_646 ?
K2 N21 K4 117.12(11) 3_646 3_646 ?
K6 N21 K4 151.85(12) . 3_646 ?
N22 C22 Mo2 178.7(3) . . ?
N22 C22 K4 66.0(2) . 3_646 ?
Mo2 C22 K4 115.05(13) . 3_646 ?
N22 C22 K6 60.3(2) . 3_646 ?
Mo2 C22 K6 118.42(13) . 3_646 ?
K4 C22 K6 117.49(11) 3_646 3_646 ?
C22 N22 K2 150.2(3) . 1_545 ?
C22 N22 K4 91.9(2) . 3_646 ?
K2 N22 K4 92.39(10) 1_545 3_646 ?
C22 N22 K6 98.9(3) . 3_646 ?
K2 N22 K6 94.28(10) 1_545 3_646 ?
K4 N22 K6 145.06(13) 3_646 3_646 ?
N23 C23 Mo2 175.5(3) . . ?
N23 C23 K4 65.3(3) . . ?
Mo2 C23 K4 118.62(15) . . ?
N23 C23 K2 64.1(3) . 3_646 ?
Mo2 C23 K2 114.05(15) . 3_646 ?
K4 C23 K2 75.18(9) . 3_646 ?
C23 N23 K5 170.8(4) . 1_455 ?
C23 N23 K4 94.0(3) . . ?
K5 N23 K4 93.20(10) 1_455 . ?
C23 N23 K2 95.4(3) . 3_646 ?
K5 N23 K2 91.06(10) 1_455 3_646 ?
K4 N23 K2 84.49(11) . 3_646 ?
N31 C31 Mo3 177.0(3) . . ?
N31 C31 K1 58.0(2) . 4_476 ?
Mo3 C31 K1 120.78(14) . 4_476 ?
N31 C31 K4 63.3(3) . . ?
Mo3 C31 K4 119.25(14) . . ?
K1 C31 K4 70.70(8) 4_476 . ?
C31 N31 K3 160.4(3) . 1_455 ?
C31 N31 K1 101.4(3) . 4_476 ?
K3 N31 K1 94.90(10) 1_455 4_476 ?
C31 N31 K4 96.1(3) . . ?
K3 N31 K4 96.90(10) 1_455 . ?
K1 N31 K4 81.96(10) 4_476 . ?
N32 C32 Mo3 176.3(3) . . ?
N32 C32 K3 61.6(3) . 4_476 ?
Mo3 C32 K3 114.89(15) . 4_476 ?
N32 C32 K1 62.4(2) . . ?
Mo3 C32 K1 118.96(13) . . ?
K3 C32 K1 77.67(8) 4_476 . ?
C32 N32 K3 97.5(3) . 4_476 ?
C32 N32 Na1 101.8(3) . . ?
K3 N32 Na1 122.96(13) 4_476 . ?
C32 N32 K1 97.8(3) . . ?
K3 N32 K1 89.43(10) 4_476 . ?
Na1 N32 K1 138.75(14) . . ?
N33 C33 Mo3 175.3(3) . . ?
N33 C33 K3 63.8(2) . 4_476 ?
Mo3 C33 K3 112.57(13) . 4_476 ?
N33 C33 K2 60.9(2) . . ?
Mo3 C33 K2 123.28(14) . . ?
K3 C33 K2 123.36(12) 4_476 . ?
C33 N33 K3 95.3(3) . 4_476 ?
C33 N33 K2 99.2(3) . . ?
K3 N33 K2 160.94(14) 4_476 . ?
C33 N33 K1 92.8(3) . 4_476 ?
K3 N33 K1 97.84(10) 4_476 4_476 ?
K2 N33 K1 93.78(10) . 4_476 ?
N41 C41 Mo4 175.4(4) . . ?
N41 C41 K5 62.4(3) . 3_756 ?
Mo4 C41 K5 113.90(14) . 3_756 ?
N41 C41 K6 58.8(2) . . ?
Mo4 C41 K6 124.43(14) . . ?
K5 C41 K6 81.35(9) 3_756 . ?
C41 N41 K6 101.6(3) . . ?
C41 N41 K5 97.4(3) . 3_756 ?
K6 N41 K5 95.11(11) . 3_756 ?
N42 C42 Mo4 178.1(4) . . ?
N42 C42 K5 65.4(3) . . ?
Mo4 C42 K5 116.35(14) . . ?
N42 C42 K3 59.6(2) . . ?
Mo4 C42 K3 119.28(14) . . ?
K5 C42 K3 92.28(10) . . ?
C42 N42 K4 155.0(3) . 1_655 ?
C42 N42 K3 99.9(3) . . ?
K4 N42 K3 99.61(10) 1_655 . ?
C42 N42 K5 93.3(3) . . ?
K4 N42 K5 95.42(11) 1_655 . ?
K3 N42 K5 107.75(12) . . ?
N43 C43 Mo4 175.6(4) . . ?
N43 C43 K2 58.1(3) . . ?
Mo4 C43 K2 125.35(15) . . ?
N43 C43 K5 62.0(3) . 3_756 ?
Mo4 C43 K5 115.14(14) . 3_756 ?
K2 C43 K5 78.15(9) . 3_756 ?
C43 N43 K2 101.8(3) . . ?
C43 N43 K5 97.8(3) . 3_756 ?
K2 N43 K5 91.57(11) . 3_756 ?
C43 N43 Na1 104.0(3) . 4_576 ?
K2 N43 Na1 88.14(12) . 4_576 ?
K5 N43 Na1 157.76(14) 3_756 4_576 ?
N11 K1 N31 160.94(11) . 4_576 ?
N11 K1 N21 94.45(10) . 2_674 ?
N31 K1 N21 104.54(11) 4_576 2_674 ?
N11 K1 O12 98.61(10) . . ?
N31 K1 O12 88.19(10) 4_576 . ?
N21 K1 O12 64.95(9) 2_674 . ?
N11 K1 N32 81.88(10) . . ?
N31 K1 N32 85.91(10) 4_576 . ?
N21 K1 N32 124.81(10) 2_674 . ?
O12 K1 N32 61.37(9) . . ?
N11 K1 C11 21.52(10) . . ?
N31 K1 C11 140.13(11) 4_576 . ?
N21 K1 C11 115.04(10) 2_674 . ?
O12 K1 C11 112.14(10) . . ?
N32 K1 C11 75.77(10) . . ?
N11 K1 C31 159.88(10) . 4_576 ?
N31 K1 C31 20.57(9) 4_576 4_576 ?
N21 K1 C31 95.81(10) 2_674 4_576 ?
O12 K1 C31 101.41(9) . 4_576 ?
N32 K1 C31 106.04(10) . 4_576 ?
C11 K1 C31 141.41(10) . 4_576 ?
N11 K1 N33 97.72(9) . 4_576 ?
N31 K1 N33 87.99(9) 4_576 4_576 ?
N21 K1 N33 77.81(9) 2_674 4_576 ?
O12 K1 N33 140.20(9) . 4_576 ?
N32 K1 N33 157.38(9) . 4_576 ?
C11 K1 N33 95.54(9) . 4_576 ?
C31 K1 N33 67.75(9) 4_576 4_576 ?
N11 K1 C32 75.28(9) . . ?
N31 K1 C32 88.37(10) 4_576 . ?
N21 K1 C32 142.68(10) 2_674 . ?
O12 K1 C32 80.97(9) . . ?
N32 K1 C32 19.72(9) . . ?
C11 K1 C32 63.16(9) . . ?
C31 K1 C32 105.85(10) 4_576 . ?
N33 K1 C32 138.45(9) 4_576 . ?
N11 K1 Se4 77.97(7) . . ?
N31 K1 Se4 84.43(8) 4_576 . ?
N21 K1 Se4 160.52(7) 2_674 . ?
O12 K1 Se4 133.53(7) . . ?
N32 K1 Se4 72.36(7) . . ?
C11 K1 Se4 56.46(7) . . ?
C31 K1 Se4 86.74(7) 4_576 . ?
N33 K1 Se4 85.39(6) 4_576 . ?
C32 K1 Se4 53.07(6) . . ?
N11 K1 K4 144.32(8) . 4_576 ?
N31 K1 K4 50.60(8) 4_576 4_576 ?
N21 K1 K4 59.83(7) 2_674 4_576 ?
O12 K1 K4 49.70(7) . 4_576 ?
N32 K1 K4 92.93(7) . 4_576 ?
C11 K1 K4 161.81(8) . 4_576 ?
C31 K1 K4 55.08(7) 4_576 4_576 ?
N33 K1 K4 99.94(7) 4_576 4_576 ?
C32 K1 K4 109.26(7) . 4_576 ?
Se4 K1 K4 134.06(3) . 4_576 ?
N11 K1 K6 48.82(7) . 2_674 ?
N31 K1 K6 150.20(8) 4_576 2_674 ?
N21 K1 K6 45.65(7) 2_674 2_674 ?
O12 K1 K6 79.05(7) . 2_674 ?
N32 K1 K6 110.46(7) . 2_674 ?
C11 K1 K6 69.51(7) . 2_674 ?
C31 K1 K6 137.92(7) 4_576 2_674 ?
N33 K1 K6 85.01(6) 4_576 2_674 ?
C32 K1 K6 115.60(7) . 2_674 ?
Se4 K1 K6 123.67(3) . 2_674 ?
K4 K1 K6 102.27(3) 4_576 2_674 ?
N22 K2 N43 129.86(11) 1_565 . ?
N22 K2 N21 81.54(10) 1_565 3_656 ?
N43 K2 N21 147.88(11) . 3_656 ?
N22 K2 N33 121.56(10) 1_565 . ?
N43 K2 N33 85.39(11) . . ?
N21 K2 N33 81.55(10) 3_656 . ?
N22 K2 N23 86.07(10) 1_565 3_656 ?
N43 K2 N23 86.21(11) . 3_656 ?
N21 K2 N23 90.12(9) 3_656 3_656 ?
N33 K2 N23 149.11(10) . 3_656 ?
N22 K2 O13 66.82(10) 1_565 3_656 ?
N43 K2 O13 63.53(10) . 3_656 ?
N21 K2 O13 144.72(10) 3_656 3_656 ?
N33 K2 O13 127.86(10) . 3_656 ?
N23 K2 O13 73.14(9) 3_656 3_656 ?
N22 K2 C21 76.32(9) 1_565 3_656 ?
N43 K2 C21 144.25(10) . 3_656 ?
N21 K2 C21 20.49(9) 3_656 3_656 ?
N33 K2 C21 101.13(10) . 3_656 ?
N23 K2 C21 70.15(9) 3_656 3_656 ?
O13 K2 C21 128.91(9) 3_656 3_656 ?
N22 K2 C43 149.27(10) 1_565 . ?
N43 K2 C43 20.06(10) . . ?
N21 K2 C43 127.83(10) 3_656 . ?
N33 K2 C43 76.95(10) . . ?
N23 K2 C43 85.18(10) 3_656 . ?
O13 K2 C43 82.45(10) 3_656 . ?
C21 K2 C43 127.30(10) 3_656 . ?
N22 K2 O11 63.97(9) 1_565 4_476 ?
N43 K2 O11 121.41(10) . 4_476 ?
N21 K2 O11 74.84(9) 3_656 4_476 ?
N33 K2 O11 57.64(9) . 4_476 ?
N23 K2 O11 147.83(9) 3_656 4_476 ?
O13 K2 O11 102.98(9) 3_656 4_476 ?
C21 K2 O11 90.50(9) 3_656 4_476 ?
C43 K2 O11 126.54(9) . 4_476 ?
N22 K2 C23 79.00(10) 1_565 3_656 ?
N43 K2 C23 105.51(11) . 3_656 ?
N21 K2 C23 70.20(9) 3_656 3_656 ?
N33 K2 C23 142.45(10) . 3_656 ?
N23 K2 C23 20.45(9) 3_656 3_656 ?
O13 K2 C23 88.13(9) 3_656 3_656 ?
C21 K2 C23 49.94(9) 3_656 3_656 ?
C43 K2 C23 101.01(10) . 3_656 ?
O11 K2 C23 131.96(9) 4_476 3_656 ?
N22 K2 N12 67.67(9) 1_565 1_565 ?
N43 K2 N12 78.37(10) . 1_565 ?
N21 K2 N12 127.33(9) 3_656 1_565 ?
N33 K2 N12 79.99(10) . 1_565 ?
N23 K2 N12 127.03(10) 3_656 1_565 ?
O13 K2 N12 54.54(9) 3_656 1_565 ?
C21 K2 N12 137.30(9) 3_656 1_565 ?
C43 K2 N12 94.85(9) . 1_565 ?
O11 K2 N12 53.66(8) 4_476 1_565 ?
C23 K2 N12 137.00(9) 3_656 1_565 ?
N22 K2 C33 140.44(10) 1_565 . ?
N43 K2 C33 76.28(10) . . ?
N21 K2 C33 81.70(10) 3_656 . ?
N33 K2 C33 19.97(9) . . ?
N23 K2 C33 129.48(10) 3_656 . ?
O13 K2 C33 132.90(10) 3_656 . ?
C21 K2 C33 98.03(9) 3_656 . ?
C43 K2 C33 62.95(9) . . ?
O11 K2 C33 77.13(9) 4_476 . ?
C23 K2 C33 127.28(10) 3_656 . ?
N12 K2 C33 95.55(9) 1_565 . ?
N31 K3 N42 82.18(10) 1_655 . ?
N31 K3 N32 89.75(10) 1_655 4_576 ?
N42 K3 N32 92.04(11) . 4_576 ?
N31 K3 N13 108.59(10) 1_655 . ?
N42 K3 N13 76.78(11) . . ?
N32 K3 N13 156.64(10) 4_576 . ?
N31 K3 N33 109.34(11) 1_655 4_576 ?
N42 K3 N33 167.68(11) . 4_576 ?
N32 K3 N33 92.36(10) 4_576 4_576 ?
N13 K3 N33 94.90(10) . 4_576 ?
N31 K3 C32 92.24(10) 1_655 4_576 ?
N42 K3 C32 112.94(11) . 4_576 ?
N32 K3 C32 20.90(9) 4_576 4_576 ?
N13 K3 C32 158.35(10) . 4_576 ?
N33 K3 C32 71.96(10) 4_576 4_576 ?
N31 K3 C13 126.81(10) 1_655 . ?
N42 K3 C13 72.61(10) . . ?
N32 K3 C13 135.95(10) 4_576 . ?
N13 K3 C13 20.98(9) . . ?
N33 K3 C13 96.36(10) 4_576 . ?
C32 K3 C13 140.57(10) 4_576 . ?
N31 K3 C42 102.59(10) 1_655 . ?
N42 K3 C42 20.54(9) . . ?
N32 K3 C42 89.84(10) 4_576 . ?
N13 K3 C42 72.46(10) . . ?
N33 K3 C42 148.00(11) 4_576 . ?
C32 K3 C42 109.48(10) 4_576 . ?
C13 K3 C42 61.49(10) . . ?
N31 K3 C33 103.62(10) 1_655 4_576 ?
N42 K3 C33 162.80(11) . 4_576 ?
N32 K3 C33 72.02(10) 4_576 4_576 ?
N13 K3 C33 115.53(10) . 4_576 ?
N33 K3 C33 20.91(9) 4_576 4_576 ?
C32 K3 C33 51.33(9) 4_576 4_576 ?
C13 K3 C33 114.24(10) . 4_576 ?
C42 K3 C33 147.84(10) . 4_576 ?
N31 K3 O31 58.92(16) 1_655 1_655 ?
N42 K3 O31 130.40(16) . 1_655 ?
N32 K3 O31 115.26(17) 4_576 1_655 ?
N13 K3 O31 87.14(16) . 1_655 ?
N33 K3 O31 56.98(16) 4_576 1_655 ?
C32 K3 O31 99.12(16) 4_576 1_655 ?
C13 K3 O31 105.52(16) . 1_655 ?
C42 K3 O31 146.88(16) . 1_655 ?
C33 K3 O31 64.64(16) 4_576 1_655 ?
N31 K3 Se4 154.88(8) 1_655 . ?
N42 K3 Se4 75.59(7) . . ?
N32 K3 Se4 79.64(7) 4_576 . ?
N13 K3 Se4 77.74(7) . . ?
N33 K3 Se4 93.91(8) 4_576 . ?
C32 K3 Se4 85.88(7) 4_576 . ?
C13 K3 Se4 56.78(7) . . ?
C42 K3 Se4 55.15(7) . . ?
C33 K3 Se4 94.71(7) 4_576 . ?
O31 K3 Se4 146.09(14) 1_655 . ?
N31 K3 K1 42.65(7) 1_655 4_576 ?
N42 K3 K1 85.04(8) . 4_576 ?
N32 K3 K1 47.10(7) 4_576 4_576 ?
N13 K3 K1 148.51(7) . 4_576 ?
N33 K3 K1 106.31(7) 4_576 4_576 ?
C32 K3 K1 53.11(7) 4_576 4_576 ?
C13 K3 K1 157.20(7) . 4_576 ?
C42 K3 K1 98.45(7) . 4_576 ?
C33 K3 K1 88.49(7) 4_576 4_576 ?
O31 K3 K1 85.36(15) 1_655 4_576 ?
Se4 K3 K1 122.49(3) . 4_576 ?
N42 K4 O13 62.92(11) 1_455 . ?
N42 K4 N22 133.83(10) 1_455 3_656 ?
O13 K4 N22 71.20(10) . 3_656 ?
N42 K4 O12 67.03(10) 1_455 4_476 ?
O13 K4 O12 95.78(11) . 4_476 ?
N22 K4 O12 124.79(10) 3_656 4_476 ?
N42 K4 N31 79.95(10) 1_455 . ?
O13 K4 N31 138.82(11) . . ?
N22 K4 N31 139.68(10) 3_656 . ?
O12 K4 N31 84.75(9) 4_476 . ?
N42 K4 N23 80.83(11) 1_455 . ?
O13 K4 N23 78.29(10) . . ?
N22 K4 N23 85.36(10) 3_656 . ?
O12 K4 N23 146.01(10) 4_476 . ?
N31 K4 N23 78.82(10) . . ?
N42 K4 C22 135.14(10) 1_455 3_656 ?
O13 K4 C22 75.47(10) . 3_656 ?
N22 K4 C22 22.08(9) 3_656 3_656 ?
O12 K4 C22 103.24(9) 4_476 3_656 ?
N31 K4 C22 144.57(10) . 3_656 ?
N23 K4 C22 107.41(10) . 3_656 ?
N42 K4 C31 98.92(10) 1_455 . ?
O13 K4 C31 149.02(10) . . ?
N22 K4 C31 119.09(10) 3_656 . ?
O12 K4 C31 99.61(10) 4_476 . ?
N31 K4 C31 20.65(9) . . ?
N23 K4 C31 73.90(9) . . ?
C22 K4 C31 125.89(10) 3_656 . ?
N42 K4 C23 99.40(11) 1_455 . ?
O13 K4 C23 94.87(10) . . ?
N22 K4 C23 78.93(10) 3_656 . ?
O12 K4 C23 156.12(10) 4_476 . ?
N31 K4 C23 73.23(10) . . ?
N23 K4 C23 20.71(9) . . ?
C22 K4 C23 100.10(10) 3_656 . ?
C31 K4 C23 61.86(9) . . ?
N42 K4 N21 123.89(10) 1_455 3_656 ?
O13 K4 N21 125.89(10) . 3_656 ?
N22 K4 N21 86.94(9) 3_656 3_656 ?
O12 K4 N21 57.24(9) 4_476 3_656 ?
N31 K4 N21 88.77(9) . 3_656 ?
N23 K4 N21 150.16(9) . 3_656 ?
C22 K4 N21 68.41(9) 3_656 3_656 ?
C31 K4 N21 84.91(9) . 3_656 ?
C23 K4 N21 129.49(9) . 3_656 ?
N42 K4 C21 127.92(10) 1_455 3_656 ?
O13 K4 C21 108.65(10) . 3_656 ?
N22 K4 C21 71.11(9) 3_656 3_656 ?
O12 K4 C21 62.85(9) 4_476 3_656 ?
N31 K4 C21 108.03(9) . 3_656 ?
N23 K4 C21 150.86(10) . 3_656 ?
C22 K4 C21 50.73(9) 3_656 3_656 ?
C31 K4 C21 102.29(9) . 3_656 ?
C23 K4 C21 132.54(9) . 3_656 ?
N21 K4 C21 19.36(8) 3_656 3_656 ?
N42 K4 Se3 148.91(8) 1_455 . ?
O13 K4 Se3 129.90(8) . . ?
N22 K4 Se3 64.60(7) 3_656 . ?
O12 K4 Se3 128.33(8) 4_476 . ?
N31 K4 Se3 75.60(7) . . ?
N23 K4 Se3 75.87(7) . . ?
C22 K4 Se3 72.49(7) 3_656 . ?
C31 K4 Se3 55.01(7) . . ?
C23 K4 Se3 55.28(7) . . ?
N21 K4 Se3 74.78(6) 3_656 . ?
C21 K4 Se3 78.55(6) 3_656 . ?
N23 K5 N42 83.04(10) 1_655 . ?
N23 K5 N43 88.47(11) 1_655 3_746 ?
N42 K5 N43 116.28(11) . 3_746 ?
N23 K5 N41 94.98(11) 1_655 3_746 ?
N42 K5 N41 152.81(11) . 3_746 ?
N43 K5 N41 90.70(10) 3_746 3_746 ?
N23 K5 C42 104.31(10) 1_655 . ?
N42 K5 C42 21.29(9) . . ?
N43 K5 C42 115.53(10) 3_746 . ?
N41 K5 C42 147.36(10) 3_746 . ?
N23 K5 N13 97.26(10) 1_655 . ?
N42 K5 N13 70.76(10) . . ?
N43 K5 N13 171.57(10) 3_746 . ?
N41 K5 N13 82.67(10) 3_746 . ?
C42 K5 N13 69.12(9) . . ?
N23 K5 C43 88.32(10) 1_655 3_746 ?
N42 K5 C43 136.18(11) . 3_746 ?
N43 K5 C43 20.23(9) 3_746 3_746 ?
N41 K5 C43 70.57(10) 3_746 3_746 ?
C42 K5 C43 134.96(10) . 3_746 ?
N13 K5 C43 153.06(10) . 3_746 ?
N23 K5 O13 73.56(11) 1_655 1_655 ?
N42 K5 O13 56.20(9) . 1_655 ?
N43 K5 O13 60.82(9) 3_746 1_655 ?
N41 K5 O13 148.91(10) 3_746 1_655 ?
C42 K5 O13 63.30(10) . 1_655 ?
N13 K5 O13 126.75(9) . 1_655 ?
C43 K5 O13 80.13(10) 3_746 1_655 ?
N23 K5 C41 92.34(10) 1_655 3_746 ?
N42 K5 C41 171.47(10) . 3_746 ?
N43 K5 C41 70.58(10) 3_746 3_746 ?
N41 K5 C41 20.21(9) 3_746 3_746 ?
C42 K5 C41 162.15(10) . 3_746 ?
N13 K5 C41 102.88(10) . 3_746 ?
C43 K5 C41 50.39(10) 3_746 3_746 ?
O13 K5 C41 129.29(10) 1_655 3_746 ?
N23 K5 Se1 161.53(8) 1_655 . ?
N42 K5 Se1 78.85(7) . . ?
N43 K5 Se1 102.74(8) 3_746 . ?
N41 K5 Se1 99.45(8) 3_746 . ?
C42 K5 Se1 57.68(7) . . ?
N13 K5 Se1 73.40(6) . . ?
C43 K5 Se1 107.29(7) 3_746 . ?
O13 K5 Se1 98.92(8) 1_655 . ?
C41 K5 Se1 105.15(7) 3_746 . ?
N23 K5 C13 114.96(10) 1_655 . ?
N42 K5 C13 67.78(9) . . ?
N43 K5 C13 156.50(10) 3_746 . ?
N41 K5 C13 89.00(9) 3_746 . ?
C42 K5 C13 59.09(9) . . ?
N13 K5 C13 19.29(8) . . ?
C43 K5 C13 150.69(10) 3_746 . ?
O13 K5 C13 122.08(9) 1_655 . ?
C41 K5 C13 108.17(10) 3_746 . ?
Se1 K5 C13 54.24(6) . . ?
N23 K5 K2 46.47(8) 1_655 3_746 ?
N42 K5 K2 95.59(7) . 3_746 ?
N43 K5 K2 43.37(7) 3_746 3_746 ?
N41 K5 K2 102.64(7) 3_746 3_746 ?
C42 K5 K2 109.77(7) . 3_746 ?
N13 K5 K2 143.36(6) . 3_746 ?
C43 K5 K2 50.79(7) 3_746 3_746 ?
O13 K5 K2 48.55(7) 1_655 3_746 ?
C41 K5 K2 86.29(7) 3_746 3_746 ?
Se1 K5 K2 138.90(4) . 3_746 ?
C13 K5 K2 158.22(7) . 3_746 ?
O15 K6 O11 97.2(3) 2_675 2_675 ?
O15 K6 N22 118.12(14) 2_675 3_656 ?
O11 K6 N22 69.56(9) 2_675 3_656 ?
O15 K6 N21 160.25(17) 2_675 . ?
O11 K6 N21 81.95(10) 2_675 . ?
N22 K6 N21 80.24(9) 3_656 . ?
O15 K6 N41 86.4(2) 2_675 . ?
O11 K6 N41 155.28(10) 2_675 . ?
N22 K6 N41 129.84(10) 3_656 . ?
N21 K6 N41 86.55(10) . . ?
O15 K6 N11 75.4(2) 2_675 2_675 ?
O11 K6 N11 64.58(9) 2_675 2_675 ?
N22 K6 N11 133.58(9) 3_656 2_675 ?
N21 K6 N11 86.59(9) . 2_675 ?
N41 K6 N11 93.05(10) . 2_675 ?
O15 K6 C22 97.59(14) 2_675 3_656 ?
O11 K6 C22 73.32(9) 2_675 3_656 ?
N22 K6 C22 20.78(9) 3_656 3_656 ?
N21 K6 C22 101.02(10) . 3_656 ?
N41 K6 C22 130.64(10) . 3_656 ?
N11 K6 C22 135.71(9) 2_675 3_656 ?
O15 K6 C21 163.4(2) 2_675 . ?
O11 K6 C21 97.60(9) 2_675 . ?
N22 K6 C21 74.43(9) 3_656 . ?
N21 K6 C21 19.90(9) . . ?
N41 K6 C21 77.04(9) . . ?
N11 K6 C21 104.40(9) 2_675 . ?
C22 K6 C21 93.87(9) 3_656 . ?
O15 K6 C41 100.9(3) 2_675 . ?
O11 K6 C41 158.67(10) 2_675 . ?
N22 K6 C41 110.68(9) 3_656 . ?
N21 K6 C41 77.19(9) . . ?
N41 K6 C41 19.62(9) . . ?
N11 K6 C41 109.32(9) 2_675 . ?
C22 K6 C41 114.93(9) 3_656 . ?
C21 K6 C41 63.17(9) . . ?
O15 K6 K7A 42.4(3) 2_675 2_675 ?
O11 K6 K7A 56.55(12) 2_675 2_675 ?
N22 K6 K7A 108.12(10) 3_656 2_675 ?
N21 K6 K7A 128.22(11) . 2_675 ?
N41 K6 K7A 117.76(11) . 2_675 ?
N11 K6 K7A 49.96(7) 2_675 2_675 ?
C22 K6 K7A 95.49(9) 3_656 2_675 ?
C21 K6 K7A 148.06(11) . 2_675 ?
C41 K6 K7A 136.79(12) . 2_675 ?
O15 K6 K7 56.5(3) 2_675 2_675 ?
O11 K6 K7 42.35(8) 2_675 2_675 ?
N22 K6 K7 99.76(8) 3_656 2_675 ?
N21 K6 K7 116.22(8) . 2_675 ?
N41 K6 K7 129.11(8) . 2_675 ?
N11 K6 K7 48.09(6) 2_675 2_675 ?
C22 K6 K7 91.13(7) 3_656 2_675 ?
C21 K6 K7 135.49(8) . 2_675 ?
C41 K6 K7 148.71(8) . 2_675 ?
K7A K6 K7 14.33(8) 2_675 2_675 ?
O15 K6 K1 118.2(2) 2_675 2_675 ?
O11 K6 K1 65.72(7) 2_675 2_675 ?
N22 K6 K1 110.19(7) 3_656 2_675 ?
N21 K6 K1 43.58(7) . 2_675 ?
N41 K6 K1 90.98(8) . 2_675 ?
N11 K6 K1 43.04(6) 2_675 2_675 ?
C22 K6 K1 127.59(7) 3_656 2_675 ?
C21 K6 K1 62.11(7) . 2_675 ?
C41 K6 K1 95.54(7) . 2_675 ?
K7A K6 K1 88.30(7) 2_675 2_675 ?
K7 K6 K1 80.13(4) 2_675 2_675 ?
K7A K7 O32 126.0(5) . 4_566 ?
K7A K7 O11 113.4(2) . . ?
O32 K7 O11 108.2(4) 4_566 . ?
K7A K7 O15A 11.0(3) . . ?
O32 K7 O15A 126.5(5) 4_566 . ?
O11 K7 O15A 104.9(4) . . ?
K7A K7 N11 77.3(2) . . ?
O32 K7 N11 153.0(4) 4_566 . ?
O11 K7 N11 67.16(10) . . ?
O15A K7 N11 79.1(3) . . ?
K7A K7 C11 87.2(2) . . ?
O32 K7 C11 133.7(3) 4_566 . ?
O11 K7 C11 79.83(11) . . ?
O15A K7 C11 92.4(3) . . ?
N11 K7 C11 21.91(9) . . ?
K7A K7 N12 68.6(2) . . ?
O32 K7 N12 88.8(3) 4_566 . ?
O11 K7 N12 153.15(11) . . ?
O15A K7 N12 79.4(3) . . ?
N11 K7 N12 88.18(10) . . ?
C11 K7 N12 73.47(10) . . ?
K7A K7 C12 81.3(2) . . ?
O32 K7 C12 95.2(3) 4_566 . ?
O11 K7 C12 132.43(12) . . ?
O15A K7 C12 92.2(3) . . ?
N11 K7 C12 73.27(10) . . ?
C11 K7 C12 54.96(10) . . ?
N12 K7 C12 21.76(9) . . ?
K7A K7 C13 133.0(2) . . ?
O32 K7 C13 78.5(3) 4_566 . ?
O11 K7 C13 89.39(13) . . ?
O15A K7 C13 142.5(2) . . ?
N11 K7 C13 74.87(10) . . ?
C11 K7 C13 55.62(10) . . ?
N12 K7 C13 73.37(10) . . ?
C12 K7 C13 54.79(10) . . ?
K7A K7 N13 153.8(2) . . ?
O32 K7 N13 62.7(3) 4_566 . ?
O11 K7 N13 81.75(12) . . ?
O15A K7 N13 163.9(2) . . ?
N11 K7 N13 90.35(11) . . ?
C11 K7 N13 74.08(11) . . ?
N12 K7 N13 88.23(10) . . ?
C12 K7 N13 72.99(10) . . ?
C13 K7 N13 21.40(9) . . ?
K7A K7 Se2 76.13(18) . 4_566 ?
O32 K7 Se2 85.0(3) 4_566 4_566 ?
O11 K7 Se2 72.89(7) . 4_566 ?
O15A K7 Se2 66.13(19) . 4_566 ?
N11 K7 Se2 116.71(8) . 4_566 ?
C11 K7 Se2 138.59(9) . 4_566 ?
N12 K7 Se2 130.70(11) . 4_566 ?
C12 K7 Se2 151.96(13) . 4_566 ?
C13 K7 Se2 150.76(12) . 4_566 ?
N13 K7 Se2 129.94(10) . 4_566 ?
K7A K7 O15 28.3(3) . . ?
O32 K7 O15 140.0(4) 4_566 . ?
O11 K7 O15 85.22(17) . . ?
O15A K7 O15 20.1(3) . . ?
N11 K7 O15 67.01(14) . . ?
C11 K7 O15 84.97(14) . . ?
N12 K7 O15 95.05(17) . . ?
C12 K7 O15 102.90(16) . . ?
C13 K7 O15 140.53(13) . . ?
N13 K7 O15 156.94(15) . . ?
Se2 K7 O15 62.57(11) 4_566 . ?
K7 K7A O15A 163.1(5) . . ?
K7 K7A O32 35.4(3) . 4_566 ?
O15A K7A O32 143.1(5) . 4_566 ?
K7 K7A O15 140.9(3) . . ?
O15A K7A O15 26.4(6) . . ?
O32 K7A O15 150.4(3) 4_566 . ?
K7 K7A O31 129.6(4) . 4_566 ?
O15A K7A O31 55.9(7) . 4_566 ?
O32 K7A O31 94.3(3) 4_566 4_566 ?
O15 K7A O31 81.7(3) . 4_566 ?
K7 K7A N12 92.5(3) . . ?
O15A K7A N12 104.1(5) . . ?
O32 K7A N12 81.7(3) 4_566 . ?
O15 K7A N12 123.3(3) . . ?
O31 K7A N12 70.1(2) 4_566 . ?
K7 K7A N11 83.4(2) . . ?
O15A K7A N11 98.7(5) . . ?
O32 K7A N11 117.5(3) 4_566 . ?
O15 K7A N11 79.8(2) . . ?
O31 K7A N11 142.0(3) 4_566 . ?
N12 K7A N11 93.33(12) . . ?
K7 K7A C12 80.1(3) . . ?
O15A K7A C12 116.7(4) . . ?
O32 K7A C12 82.0(3) 4_566 . ?
O15 K7A C12 127.3(2) . . ?
O31 K7A C12 92.0(2) 4_566 . ?
N12 K7A C12 22.09(10) . . ?
N11 K7A C12 73.87(11) . . ?
K7 K7A C11 74.4(2) . . ?
O15A K7A C11 112.9(5) . . ?
O32 K7A C11 103.8(3) 4_566 . ?
O15 K7A C11 98.7(2) . . ?
O31 K7A C11 137.3(2) 4_566 . ?
N12 K7A C11 74.68(12) . . ?
N11 K7A C11 21.36(9) . . ?
C12 K7A C11 53.78(11) . . ?
K7 K7A O11 50.14(19) . . ?
O15A K7A O11 116.3(6) . . ?
O32 K7A O11 78.7(3) 4_566 . ?
O15 K7A O11 91.0(2) . . ?
O31 K7A O11 151.7(2) 4_566 . ?
N12 K7A O11 134.3(2) . . ?
N11 K7A O11 61.44(10) . . ?
C12 K7A O11 113.74(18) . . ?
C11 K7A O11 70.71(12) . . ?
K7 K7A Se2 86.6(2) . 4_566 ?
O15A K7A Se2 77.9(3) . 4_566 ?
O32 K7A Se2 77.6(2) 4_566 4_566 ?
O15 K7A Se2 72.82(16) . 4_566 ?
O31 K7A Se2 83.60(19) 4_566 4_566 ?
N12 K7A Se2 144.95(13) . 4_566 ?
N11 K7A Se2 121.28(11) . 4_566 ?
C12 K7A Se2 158.7(2) . 4_566 ?
C11 K7A Se2 137.68(13) . 4_566 ?
O11 K7A Se2 68.13(8) . 4_566 ?
K7 K7A K6 96.9(2) . 2_674 ?
O15A K7A K6 71.8(6) . 2_674 ?
O32 K7A K6 124.2(3) 4_566 2_674 ?
O15 K7A K6 45.40(18) . 2_674 ?
O31 K7A K6 125.7(3) 4_566 2_674 ?
N12 K7A K6 143.20(14) . 2_674 ?
N11 K7A K6 52.93(8) . 2_674 ?
C12 K7A K6 126.56(11) . 2_674 ?
C11 K7A K6 73.85(9) . 2_674 ?
O11 K7A K6 47.18(7) . 2_674 ?
Se2 K7A K6 71.33(6) 4_566 2_674 ?
O31 Na1 O33 154.3(6) . . ?
O31 Na1 N32 109.9(6) . . ?
O33 Na1 N32 51.2(2) . . ?
O31 Na1 N43 151.4(6) . 4_476 ?
O33 Na1 N43 54.2(2) . 4_476 ?
N32 Na1 N43 91.47(12) . 4_476 ?
O31 Na1 N12 93.5(6) . 4_466 ?
O33 Na1 N12 92.9(2) . 4_466 ?
N32 Na1 N12 136.18(12) . 4_466 ?
N43 Na1 N12 82.98(11) 4_476 4_466 ?
O33 O14 C14 111.0(5) . . ?
O32 C14 O14 158.0(6) . . ?
K7 O11 K6 92.56(11) . 2_674 ?
K7 O11 K7A 16.49(8) . . ?
K6 O11 K7A 76.26(14) 2_674 . ?
K7 O11 K2 175.78(13) . 4_576 ?
K6 O11 K2 84.09(8) 2_674 4_576 ?
K7A O11 K2 159.71(15) . 4_576 ?
K1 O12 K4 81.66(9) . 4_576 ?
K4 O13 K2 84.88(11) . 3_646 ?
K4 O13 K5 86.79(9) . 1_455 ?
K2 O13 K5 79.86(9) 3_646 1_455 ?
O15A O15 K7A 42.1(7) . . ?
O15A O15 K6 134.2(9) . 2_674 ?
K7A O15 K6 92.2(3) . 2_674 ?
O15A O15 K7 52.2(7) . . ?
K7A O15 K7 10.76(9) . . ?
K6 O15 K7 82.0(2) 2_674 . ?
O15 O15A K7A 111.5(12) . . ?
O15 O15A K7 107.7(10) . . ?
K7A O15A K7 5.97(17) . . ?
Na1 O31 K7A 104.6(6) . 4_466 ?
Na1 O31 K3 138.7(7) . 1_455 ?
K7A O31 K3 113.3(3) 4_466 1_455 ?
C14 O32 K7 123.2(8) . 4_466 ?
C14 O32 K7A 106.7(7) . 4_466 ?
K7 O32 K7A 18.59(16) 4_466 4_466 ?
O14 O33 Na1 111.1(5) . . ?
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
Mo1 C13 2.172(4) . ?
Mo1 C12 2.176(4) . ?
Mo1 C11 2.184(4) . ?
Mo1 Se2 2.4954(4) . ?
Mo1 Se1 2.5087(5) . ?
Mo1 Se4 2.5219(5) . ?
Mo1 Mo4 2.9005(4) . ?
Mo1 Mo2 2.9073(4) . ?
Mo1 Mo3 2.9255(4) . ?
Mo1 K7 4.0287(16) . ?
Mo2 C22 2.164(4) . ?
Mo2 C23 2.173(4) . ?
Mo2 C21 2.177(4) . ?
Mo2 Se2 2.4958(5) . ?
Mo2 Se1 2.5031(5) . ?
Mo2 Se3 2.5176(5) . ?
Mo2 Mo3 2.9082(4) . ?
Mo2 Mo4 2.9119(4) . ?
Mo3 C32 2.168(4) . ?
Mo3 C31 2.168(4) . ?
Mo3 C33 2.185(4) . ?
Mo3 Se2 2.4927(5) . ?
Mo3 Se4 2.5021(5) . ?
Mo3 Se3 2.5171(5) . ?
Mo3 Mo4 2.9088(4) . ?
Mo4 C42 2.168(4) . ?
Mo4 C43 2.169(4) . ?
Mo4 C41 2.184(4) . ?
Mo4 Se1 2.5028(5) . ?
Mo4 Se3 2.5107(5) . ?
Mo4 Se4 2.5115(5) . ?
Se1 K5 3.4194(10) . ?
Se2 K7A 3.270(3) 4_466 ?
Se2 K7 3.3620(16) 4_466 ?
Se3 K4 3.6191(11) . ?
Se3 K2 3.8839(10) . ?
Se4 K3 3.4719(11) . ?
Se4 K1 3.6276(9) . ?
C11 N11 1.151(5) . ?
C11 K7 3.048(4) . ?
C11 K1 3.122(4) . ?
C11 K7A 3.160(5) . ?
N11 K1 2.790(3) . ?
N11 K7A 2.952(4) . ?
N11 K7 3.006(4) . ?
N11 K6 3.077(3) 2_674 ?
C12 N12 1.165(5) . ?
C12 K7 3.087(4) . ?
C12 K7A 3.097(5) . ?
N12 K7A 2.874(4) . ?
N12 Na1 3.018(4) 4_566 ?
N12 K7 3.084(4) . ?
N12 K2 3.365(4) 1_545 ?
C13 N13 1.155(5) . ?
C13 K7 3.102(4) . ?
C13 K3 3.211(4) . ?
C13 K5 3.491(4) . ?
N13 K3 2.884(4) . ?
N13 K7 3.120(4) . ?
N13 K5 3.226(4) . ?
C21 N21 1.159(5) . ?
C21 K2 3.280(4) 3_646 ?
C21 K6 3.343(4) . ?
C21 K4 3.479(4) 3_646 ?
N21 K1 2.817(3) 2_675 ?
N21 K2 2.911(3) 3_646 ?
N21 K6 2.922(4) . ?
N21 K4 3.398(3) 3_646 ?
C22 N22 1.160(5) . ?
C22 K4 3.085(4) 3_646 ?
C22 K6 3.231(3) 3_646 ?
N22 K2 2.774(3) 1_545 ?
N22 K4 2.821(3) 3_646 ?
N22 K6 2.840(3) 3_646 ?
C23 N23 1.168(5) . ?
C23 K4 3.293(4) . ?
C23 K2 3.326(4) 3_646 ?
N23 K5 2.800(3) 1_455 ?
N23 K4 3.000(4) . ?
N23 K2 3.006(4) 3_646 ?
C31 N31 1.167(5) . ?
C31 K1 3.254(4) 4_476 ?
C31 K4 3.289(4) . ?
N31 K3 2.805(3) 1_455 ?
N31 K1 2.816(4) 4_476 ?
N31 K4 2.954(4) . ?
C32 N32 1.155(5) . ?
C32 K3 3.210(4) 4_476 ?
C32 K1 3.390(4) . ?
N32 K3 2.849(4) 4_476 ?
N32 Na1 2.884(4) . ?
N32 K1 3.034(4) . ?
C33 N33 1.168(5) . ?
C33 K3 3.259(4) 4_476 ?
C33 K2 3.377(4) . ?
N33 K3 2.936(4) 4_476 ?
N33 K2 2.988(3) . ?
N33 K1 3.290(4) 4_476 ?
C41 N41 1.155(5) . ?
C41 K5 3.315(4) 3_756 ?
C41 K6 3.369(4) . ?
N41 K6 2.942(4) . ?
N41 K5 2.963(4) 3_756 ?
C42 N42 1.153(5) . ?
C42 K5 3.170(4) . ?
C42 K3 3.237(4) . ?
N42 K4 2.811(3) 1_655 ?
N42 K3 2.833(4) . ?
N42 K5 2.887(4) . ?
C43 N43 1.150(5) . ?
C43 K2 3.282(4) . ?
C43 K5 3.295(4) 3_756 ?
N43 K2 2.848(4) . ?
N43 K5 2.935(4) 3_756 ?
N43 Na1 2.937(5) 4_576 ?
K1 N31 2.816(4) 4_576 ?
K1 N21 2.817(3) 2_674 ?
K1 O12 2.872(4) . ?
K1 C31 3.254(4) 4_576 ?
K1 N33 3.290(4) 4_576 ?
K1 K4 3.7857(13) 4_576 ?
K1 K6 4.0853(13) 2_674 ?
K2 N22 2.774(3) 1_565 ?
K2 N21 2.911(3) 3_656 ?
K2 N23 3.006(4) 3_656 ?
K2 O13 3.157(4) 3_656 ?
K2 C21 3.280(4) 3_656 ?
K2 O11 3.286(3) 4_476 ?
K2 C23 3.326(4) 3_656 ?
K2 N12 3.365(4) 1_565 ?
K3 N31 2.805(3) 1_655 ?
K3 N32 2.849(4) 4_576 ?
K3 N33 2.936(4) 4_576 ?
K3 C32 3.210(4) 4_576 ?
K3 C33 3.259(4) 4_576 ?
K3 O31 3.423(9) 1_655 ?
K3 K1 4.1408(13) 4_576 ?
K4 N42 2.811(3) 1_455 ?
K4 O13 2.815(4) . ?
K4 N22 2.821(3) 3_656 ?
K4 O12 2.918(3) 4_476 ?
K4 C22 3.085(4) 3_656 ?
K4 N21 3.398(3) 3_656 ?
K4 C21 3.479(4) 3_656 ?
K5 N23 2.800(3) 1_655 ?
K5 N43 2.935(4) 3_746 ?
K5 N41 2.963(4) 3_746 ?
K5 C43 3.295(4) 3_746 ?
K5 O13 3.300(4) 1_655 ?
K5 C41 3.315(4) 3_746 ?
K5 K2 4.1455(14) 3_746 ?
K6 O15 2.678(8) 2_675 ?
K6 O11 2.838(3) 2_675 ?
K6 N22 2.840(3) 3_656 ?
K6 N11 3.077(3) 2_675 ?
K6 C22 3.231(4) 3_656 ?
K6 K7A 3.759(4) 2_675 ?
K6 K7 4.0036(18) 2_675 ?
K6 K1 4.0853(13) 2_675 ?
K7 K7A 0.998(5) . ?
K7 O32 1.813(12) 4_566 ?
K7 O11 2.700(4) . ?
K7 O15A 2.798(9) . ?
K7 Se2 3.3620(16) 4_566 ?
K7 O15 3.371(13) . ?
K7A O15A 1.827(11) . ?
K7A O32 2.533(13) 4_566 ?
K7A O15 2.537(15) . ?
K7A O31 2.713(10) 4_566 ?
K7A O11 3.229(5) . ?
K7A Se2 3.270(3) 4_566 ?
K7A K6 3.759(4) 2_674 ?
Na1 O31 0.927(8) . ?
Na1 O33 1.821(7) . ?
Na1 N43 2.937(5) 4_476 ?
Na1 N12 3.018(4) 4_466 ?
O14 O33 1.085(7) . ?
O14 C14 1.445(5) . ?
C14 O32 1.240(12) . ?
O11 K6 2.838(3) 2_674 ?
O11 K2 3.286(3) 4_576 ?
O12 K4 2.918(3) 4_576 ?
O13 K2 3.157(4) 3_646 ?
O13 K5 3.300(4) 1_455 ?
O15 O15A 1.214(14) . ?
O15 K6 2.678(8) 2_674 ?
O31 K7A 2.713(10) 4_466 ?
O31 K3 3.423(9) 1_455 ?
O32 K7 1.813(11) 4_466 ?
O32 K7A 2.533(13) 4_466 ?
