#------------------------------------------------------------------------------
#$Date: 2016-03-26 22:20:56 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180501 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/70/7217007.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_7217007
loop_
_publ_author_name
'Elistratova, Julia'
'Mikhailov, Maxim'
'Burilov, Vladimir'
'Babaev, Vasily'
'Rizvanov, Ildar'
'Mustafina, Asiya'
'Abramov, Pavel'
'Sokolov, Maxim'
'Konovalov, Alexander'
'Fedin, Vladimir'
_publ_section_title
;
 Supramolecular assemblies of triblock copolymers with hexanuclear
 molybdenum clusters for sensing antibiotics in aqueous solutions via
 energy transfer
;
_journal_issue                   53
_journal_name_full               'RSC Advances'
_journal_page_first              27922
_journal_paper_doi               10.1039/c4ra02457e
_journal_volume                  4
_journal_year                    2014
_chemical_formula_sum            'C16 H34 I14 K2 Mo6 N2 O6'
_chemical_formula_weight         2780.89
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                113.4590(10)
_cell_angle_beta                 99.1710(10)
_cell_angle_gamma                103.3120(10)
_cell_formula_units_Z            1
_cell_length_a                   10.4798(3)
_cell_length_b                   11.0059(3)
_cell_length_c                   13.2185(3)
_cell_measurement_reflns_used    7952
_cell_measurement_temperature    150.0(2)
_cell_measurement_theta_max      31.0856
_cell_measurement_theta_min      3.0735
_cell_volume                     1306.09(6)
_computing_cell_refinement       'Apex2 V.1.27 (Bruker, 2005)'
_computing_data_collection       'Apex2 V.1.27 (Bruker, 2005)'
_computing_data_reduction        'Apex2 V.1.27 (Bruker, 2005)'
_computing_molecular_graphics    'SHELXTL V6.22 (Bruker, 2000-2005)'
_computing_publication_material  'local programs'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150.0(2)
_diffrn_detector_area_resol_mean 25
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.759
_diffrn_measurement_device_type  'Bruker X8Apex CCD detector'
_diffrn_measurement_method       'combined omega- and phi-scans'
_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  0.0276
_diffrn_reflns_av_sigmaI/netI    0.0381
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            13307
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         31.38
_diffrn_reflns_theta_min         3.07
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    9.858
_exptl_absorpt_correction_T_max  0.3379
_exptl_absorpt_correction_T_min  0.2024
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'based on intensities (SADABS, Bruker, 2005)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    3.536
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1224
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.080
_refine_diff_density_min         -0.800
_refine_diff_density_rms         0.165
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     215
_refine_ls_number_reflns         6541
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.040
_refine_ls_R_factor_all          0.0275
_refine_ls_R_factor_gt           0.0231
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0141P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0484
_refine_ls_wR_factor_ref         0.0498
_reflns_number_gt                5856
_reflns_number_total             6541
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4ra02457e2.cif
_cod_data_source_block           x
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'none' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7217007
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Mo1 Mo 0.41539(3) 0.58704(3) 0.42322(2) 0.01160(7) Uani 1 1 d . . .
Mo2 Mo 0.32636(3) 0.37899(3) 0.47868(2) 0.01176(7) Uani 1 1 d . . .
Mo3 Mo 0.51073(3) 0.36850(3) 0.35913(2) 0.01157(7) Uani 1 1 d . . .
I1 I 0.24340(2) 0.32687(2) 0.250689(19) 0.01598(6) Uani 1 1 d . . .
I2 I 0.22021(2) 0.59862(2) 0.542783(19) 0.01518(6) Uani 1 1 d . . .
I3 I 0.60206(2) 0.57700(2) 0.295510(19) 0.01550(6) Uani 1 1 d . . .
I4 I 0.41566(2) 0.14872(2) 0.410415(19) 0.01528(6) Uani 1 1 d . . .
I5 I 0.29022(2) 0.72646(3) 0.31439(2) 0.01914(6) Uani 1 1 d . . .
I6 I 0.06441(2) 0.19603(3) 0.44883(2) 0.02256(6) Uani 1 1 d . . .
I7 I 0.52893(3) 0.16939(3) 0.149768(19) 0.01981(6) Uani 1 1 d . . .
K1 K -0.04383(10) -0.19015(11) 0.27405(8) 0.0339(2) Uani 1 1 d . . .
O1 O -0.2774(3) -0.1222(3) 0.2526(2) 0.0332(7) Uani 1 1 d . A .
O2A O -0.2981(4) -0.3742(3) 0.0865(3) 0.0277(8) Uani 0.85 1 d P A 1
O2B O -0.2182(16) -0.2930(17) 0.0626(13) 0.014(3) Uiso 0.15 1 d P A 2
O3 O -0.1075(3) -0.4713(3) 0.1548(2) 0.0347(7) Uani 1 1 d . A .
C1 C -0.3112(5) -0.0281(5) 0.3468(4) 0.0343(10) Uani 1 1 d . . .
H1A H -0.2383 0.0065 0.4177 0.051 Uiso 1 1 calc R A .
H1B H -0.3972 -0.0772 0.3543 0.051 Uiso 1 1 calc R . .
H1C H -0.3214 0.0509 0.3334 0.051 Uiso 1 1 calc R . .
C2 C -0.3843(4) -0.1863(5) 0.1500(3) 0.0301(10) Uani 1 1 d . . .
H2A H -0.4055 -0.1139 0.1304 0.036 Uiso 1 1 calc R A .
H2B H -0.4674 -0.2389 0.1603 0.036 Uiso 1 1 calc R . .
C3 C -0.3435(5) -0.2829(6) 0.0559(4) 0.0420(12) Uani 1 1 d . A .
H3A H -0.4200 -0.3349 -0.0137 0.050 Uiso 0.85 1 d P B 1
H3B H -0.2721 -0.2292 0.0362 0.050 Uiso 0.85 1 d P C 1
H3C H -0.4040 -0.3754 0.0298 0.050 Uiso 0.15 1 d P D 2
H3D H -0.3648 -0.2606 -0.0087 0.050 Uiso 0.15 1 d P E 2
C4 C -0.2442(6) -0.4607(6) 0.0024(4) 0.0481(14) Uani 1 1 d . A .
H4A H -0.1642 -0.4056 -0.0068 0.058 Uiso 0.85 1 d P F 1
H4B H -0.3113 -0.5128 -0.0727 0.058 Uiso 0.85 1 d P G 1
H4C H -0.2006 -0.4736 -0.0598 0.058 Uiso 0.15 1 d P H 2
H4D H -0.3402 -0.5044 -0.0370 0.058 Uiso 0.15 1 d P I 2
C5 C -0.2064(5) -0.5552(5) 0.0464(4) 0.0378(11) Uani 1 1 d . . .
H5A H -0.2880 -0.6128 0.0547 0.045 Uiso 1 1 calc R A .
H5B H -0.1682 -0.6186 -0.0076 0.045 Uiso 1 1 calc R . .
C6 C -0.0722(5) -0.5538(5) 0.2065(4) 0.0373(11) Uani 1 1 d . . .
H6A H -0.0102 -0.4926 0.2839 0.056 Uiso 1 1 calc R A .
H6B H -0.0269 -0.6144 0.1600 0.056 Uiso 1 1 calc R . .
H6C H -0.1551 -0.6117 0.2114 0.056 Uiso 1 1 calc R . .
N1 N 0.0545(6) -0.1313(6) 0.1018(5) 0.0695(16) Uani 1 1 d . A .
C7 C 0.1005(5) -0.1011(5) 0.0420(5) 0.0424(12) Uani 1 1 d . . .
C8 C 0.1592(5) -0.0654(5) -0.0401(4) 0.0466(13) Uani 1 1 d . A .
H8A H 0.2330 -0.1052 -0.0536 0.070 Uiso 1 1 calc R . .
H8B H 0.1956 0.0366 -0.0087 0.070 Uiso 1 1 calc R . .
H8C H 0.0881 -0.1038 -0.1128 0.070 Uiso 1 1 calc R . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
K K 0.2009 0.2494 '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'
I I -0.4742 1.8119 '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
Mo2 Mo1 Mo2 89.792(12) 2_666 .
Mo2 Mo1 Mo3 59.651(11) 2_666 .
Mo2 Mo1 Mo3 59.706(11) . .
Mo2 Mo1 I1 120.544(13) 2_666 .
Mo2 Mo1 I1 61.004(10) . .
Mo2 Mo1 I2 121.692(13) 2_666 .
Mo2 Mo1 I2 61.094(10) . .
Mo2 Mo1 I3 61.047(10) 2_666 .
Mo2 Mo1 I3 120.548(13) . .
Mo2 Mo1 I4 60.880(10) 2_666 2_666
Mo2 Mo1 I4 121.160(13) . 2_666
Mo2 Mo1 I5 134.357(14) 2_666 .
Mo2 Mo1 I5 135.796(14) . .
Mo3 Mo1 Mo2 60.147(11) 2_666 2_666
Mo3 Mo1 Mo2 59.872(11) 2_666 .
Mo3 Mo1 Mo3 89.667(12) 2_666 .
Mo3 Mo1 I1 120.873(13) 2_666 .
Mo3 Mo1 I1 60.903(10) . .
Mo3 Mo1 I2 61.546(10) 2_666 .
Mo3 Mo1 I2 120.785(13) . .
Mo3 Mo1 I3 121.192(13) 2_666 .
Mo3 Mo1 I3 60.855(10) . .
Mo3 Mo1 I4 61.288(10) 2_666 2_666
Mo3 Mo1 I4 120.525(13) . 2_666
Mo3 Mo1 I5 133.112(14) 2_666 .
Mo3 Mo1 I5 137.214(13) . .
I1 Mo1 I5 90.814(10) . .
I2 Mo1 I1 89.631(11) . .
I2 Mo1 I3 177.158(12) . .
I2 Mo1 I4 90.949(11) . 2_666
I2 Mo1 I5 87.582(10) . .
I3 Mo1 I1 89.365(11) . .
I3 Mo1 I4 89.952(11) . 2_666
I3 Mo1 I5 89.773(10) . .
I4 Mo1 I1 177.714(12) 2_666 .
I4 Mo1 I5 87.002(11) 2_666 .
Mo1 Mo2 Mo1 90.208(12) 2_666 .
Mo1 Mo2 I1 120.858(13) 2_666 .
Mo1 Mo2 I1 61.252(10) . .
Mo1 Mo2 I2 121.886(13) 2_666 .
Mo1 Mo2 I2 60.970(10) . .
Mo1 Mo2 I3 61.166(10) 2_666 2_666
Mo1 Mo2 I3 120.821(13) . 2_666
Mo1 Mo2 I4 61.357(10) 2_666 .
Mo1 Mo2 I4 121.556(13) . .
Mo1 Mo2 I6 134.326(13) 2_666 .
Mo1 Mo2 I6 135.463(13) . .
Mo3 Mo2 Mo1 60.453(11) 2_666 2_666
Mo3 Mo2 Mo1 59.705(11) . 2_666
Mo3 Mo2 Mo1 59.677(11) 2_666 .
Mo3 Mo2 Mo1 60.260(11) . .
Mo3 Mo2 Mo3 89.876(13) 2_666 .
Mo3 Mo2 I1 120.926(13) 2_666 .
Mo3 Mo2 I1 61.166(10) . .
Mo3 Mo2 I2 61.440(10) 2_666 .
Mo3 Mo2 I2 121.216(13) . .
Mo3 Mo2 I3 61.150(10) 2_666 2_666
Mo3 Mo2 I3 120.870(13) . 2_666
Mo3 Mo2 I4 121.805(13) 2_666 .
Mo3 Mo2 I4 61.315(10) . .
Mo3 Mo2 I6 134.601(14) 2_666 .
Mo3 Mo2 I6 135.520(14) . .
I1 Mo2 I6 89.382(11) . .
I2 Mo2 I1 89.699(10) . .
I2 Mo2 I6 88.388(11) . .
I3 Mo2 I1 177.481(14) 2_666 .
I3 Mo2 I2 90.265(11) 2_666 .
I3 Mo2 I6 88.099(11) 2_666 .
I4 Mo2 I1 89.599(11) . .
I4 Mo2 I2 176.415(13) . .
I4 Mo2 I3 90.281(10) . 2_666
I4 Mo2 I6 88.089(11) . .
Mo1 Mo3 Mo1 90.334(12) 2_666 .
Mo1 Mo3 Mo2 60.451(11) 2_666 2_666
Mo1 Mo3 Mo2 60.150(11) 2_666 .
Mo1 Mo3 I1 121.349(13) 2_666 .
Mo1 Mo3 I1 61.196(10) . .
Mo1 Mo3 I2 61.103(10) 2_666 2_666
Mo1 Mo3 I2 121.013(13) . 2_666
Mo1 Mo3 I3 121.620(13) 2_666 .
Mo1 Mo3 I3 60.999(10) . .
Mo1 Mo3 I4 61.355(10) 2_666 .
Mo1 Mo3 I4 120.919(13) . .
Mo1 Mo3 I7 133.636(13) 2_666 .
Mo1 Mo3 I7 136.030(13) . .
Mo2 Mo3 Mo1 59.897(11) 2_666 .
Mo2 Mo3 Mo1 60.034(11) . .
Mo2 Mo3 Mo2 90.126(13) 2_666 .
Mo2 Mo3 I1 121.082(13) 2_666 .
Mo2 Mo3 I1 61.212(10) . .
Mo2 Mo3 I2 61.122(10) 2_666 2_666
Mo2 Mo3 I2 121.252(13) . 2_666
Mo2 Mo3 I3 61.176(10) 2_666 .
Mo2 Mo3 I3 121.020(13) . .
Mo2 Mo3 I4 121.806(13) 2_666 .
Mo2 Mo3 I4 60.903(10) . .
Mo2 Mo3 I7 134.835(14) 2_666 .
Mo2 Mo3 I7 135.024(14) . .
I1 Mo3 I2 177.130(14) . 2_666
I1 Mo3 I7 89.303(11) . .
I2 Mo3 I7 87.838(11) 2_666 .
I3 Mo3 I1 89.606(10) . .
I3 Mo3 I2 90.103(11) . 2_666
I3 Mo3 I4 176.861(13) . .
I3 Mo3 I7 89.230(11) . .
I4 Mo3 I1 89.400(11) . .
I4 Mo3 I2 90.741(10) . 2_666
I4 Mo3 I7 87.781(11) . .
Mo2 I1 Mo1 57.743(9) . .
Mo3 I1 Mo1 57.900(9) . .
Mo3 I1 Mo2 57.623(9) . .
Mo1 I2 Mo2 57.936(9) . .
Mo1 I2 Mo3 57.350(9) . 2_666
Mo2 I2 Mo3 57.437(10) . 2_666
Mo2 I3 Mo1 57.786(9) 2_666 .
Mo3 I3 Mo1 58.146(9) . .
Mo3 I3 Mo2 57.673(9) . 2_666
Mo2 I4 Mo1 57.764(10) . 2_666
Mo2 I4 Mo3 57.782(10) . .
Mo3 I4 Mo1 57.357(10) . 2_666
Mo1 I5 K1 138.458(19) . 1_565
Mo2 I6 K1 122.773(19) . .
Mo2 I6 K1 109.968(19) . 2_556
K1 I6 K1 96.01(2) . 2_556
I6 K1 I5 103.52(2) . 1_545
I6 K1 I5 87.63(2) 2_556 1_545
I6 K1 I6 83.99(2) . 2_556
O1 K1 I5 177.94(7) . 1_545
O1 K1 I6 74.58(7) . .
O1 K1 I6 91.35(7) . 2_556
O1 K1 O2A 56.51(9) . .
O1 K1 C3 41.81(10) . .
O1 K1 C4 78.85(11) . .
O1 K1 N1 99.50(13) . .
O2A K1 I5 125.54(7) . 1_545
O2A K1 I6 127.75(7) . .
O2A K1 I6 112.13(7) . 2_556
O2A K1 C3 22.16(10) . .
O2A K1 C4 23.68(11) . .
O2B K1 I5 121.3(3) . 1_545
O2B K1 I6 115.4(3) . .
O2B K1 I6 136.3(3) . 2_556
O2B K1 O1 60.5(3) . .
O2B K1 O2A 25.0(3) . .
O2B K1 C3 19.4(3) . .
O2B K1 C4 26.4(3) . .
O2B K1 N1 61.0(4) . .
O3 K1 I5 72.99(7) . 1_545
O3 K1 I6 176.28(7) . .
O3 K1 I6 94.46(7) . 2_556
O3 K1 O1 108.88(10) . .
O3 K1 O2A 55.97(9) . .
O3 K1 O2B 68.0(3) . .
O3 K1 C3 77.23(10) . .
O3 K1 C4 41.64(10) . .
O3 K1 N1 94.80(13) . .
C3 K1 I5 140.14(9) . 1_545
C3 K1 I6 106.47(9) . .
C3 K1 I6 120.88(9) . 2_556
C4 K1 I5 103.20(9) . 1_545
C4 K1 I6 141.72(9) . .
C4 K1 I6 124.00(10) . 2_556
C4 K1 C3 38.75(11) . .
N1 K1 I5 81.08(11) . 1_545
N1 K1 I6 85.85(11) . .
N1 K1 I6 162.62(12) . 2_556
N1 K1 O2A 85.22(13) . .
N1 K1 C3 75.60(14) . .
N1 K1 C4 71.83(15) . .
C1 O1 K1 123.6(2) . .
C2 O1 K1 123.9(2) . .
C2 O1 C1 112.2(3) . .
C3 O2A K1 103.3(3) . .
C3 O2A C4 112.9(4) . .
C4 O2A K1 100.5(3) . .
C3 O2B K1 118.1(9) . .
C3 O2B C4 104.1(10) . .
C4 O2B K1 105.8(7) . .
C5 O3 K1 124.4(2) . .
C6 O3 K1 122.3(2) . .
C6 O3 C5 111.4(3) . .
O1 C2 C3 109.7(4) . .
O2A C3 K1 54.5(2) . .
O2A C3 C2 110.9(4) . .
O2B C3 K1 42.5(7) . .
O2B C3 O2A 55.0(7) . .
O2B C3 C2 125.2(8) . .
C2 C3 K1 84.4(3) . .
O2A C4 K1 55.8(2) . .
O2A C4 O2B 47.7(6) . .
O2A C4 C5 105.5(4) . .
O2B C4 K1 47.8(5) . .
C5 C4 K1 85.2(3) . .
C5 C4 O2B 132.6(6) . .
O3 C5 C4 107.9(4) . .
C7 N1 K1 174.8(5) . .
N1 C7 C8 178.3(6) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mo1 Mo2 2.6786(4) 2_666
Mo1 Mo2 2.6874(4) .
Mo1 Mo3 2.6666(4) 2_666
Mo1 Mo3 2.6935(4) .
Mo1 I1 2.7862(4) .
Mo1 I2 2.7728(4) .
Mo1 I3 2.7735(4) .
Mo1 I4 2.7792(4) 2_666
Mo1 I5 2.8684(3) .
Mo2 Mo1 2.6786(4) 2_666
Mo2 Mo3 2.6719(4) 2_666
Mo2 Mo3 2.6785(4) .
Mo2 I1 2.7796(4) .
Mo2 I2 2.7761(4) .
Mo2 I3 2.7703(4) 2_666
Mo2 I4 2.7664(4) .
Mo2 I6 2.8676(4) .
Mo3 Mo1 2.6666(4) 2_666
Mo3 Mo2 2.6719(4) 2_666
Mo3 I1 2.7783(4) .
Mo3 I2 2.7845(4) 2_666
Mo3 I3 2.7696(4) .
Mo3 I4 2.7774(4) .
Mo3 I7 2.8337(4) .
I2 Mo3 2.7845(4) 2_666
I3 Mo2 2.7703(4) 2_666
I4 Mo1 2.7792(4) 2_666
I5 K1 3.8284(10) 1_565
I6 K1 3.7169(10) .
I6 K1 3.7286(10) 2_556
K1 I5 3.8283(10) 1_545
K1 I6 3.7287(10) 2_556
K1 O1 2.724(3) .
K1 O2A 2.960(4) .
K1 O2B 2.708(15) .
K1 O3 2.709(3) .
K1 C3 3.537(5) .
K1 C4 3.518(5) .
K1 N1 2.878(6) .
O1 C1 1.426(5) .
O1 C2 1.407(5) .
O2A C3 1.372(5) .
O2A C4 1.437(6) .
O2B C3 1.335(16) .
O2B C4 1.625(17) .
O3 C5 1.418(5) .
O3 C6 1.412(5) .
C2 C3 1.479(6) .
C4 C5 1.475(6) .
N1 C7 1.107(7) .
C7 C8 1.466(7) .
