#------------------------------------------------------------------------------
#$Date: 2016-03-21 08:10:55 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178598 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/09/4070959.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_4070959
loop_
_publ_author_name
'Summerscales, Owen T.'
'Johnston, David R.'
'Cloke, F. Geoffrey N.'
'Hitchcock, Peter B.'
_publ_section_title
;
 Samarium(III) Pentalene Sandwich Compounds
 [Sm(η8-C8H4{SiiPr3-1,4}2)(Cp*)] and
 [Sm(η8-C8H4{SiiPr3-1,4}2)(η5-C8H5{SiiPr3-1,4}2)] and a Mixed-Valence
 Hexasamarium Cluster Derived from Sm(II)-Based Solvent Activation
;
_journal_issue                   21
_journal_name_full               Organometallics
_journal_page_first              5612
_journal_paper_doi               10.1021/om701152k
_journal_volume                  27
_journal_year                    2008
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C67.5 H112.5 K0.5 O8.5 Sm6, C24 H48 K O6'
_chemical_formula_sum            'C91.5 H160.5 I0.5 K O14.5 Sm6'
_chemical_formula_weight         2497.35
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           206
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      206
_symmetry_space_group_name_Hall  '-I 2b 2c 3'
_symmetry_space_group_name_H-M   'I a -3'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.3
_audit_creation_date             2005-07-18T11:47:27-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   26.6451(9)
_cell_length_b                   26.6451(9)
_cell_length_c                   26.6451(9)
_cell_measurement_reflns_used    9317
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      26.022
_cell_measurement_theta_min      3.395
_cell_measurement_wavelength     0.71073
_cell_volume                     18917.0(11)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_collection       'Collect (Nonius BV, 1997-2000)'
_computing_data_reduction
'HKL Denzo and Scalepack (Otwinowski & Minor 1997)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      173(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device       '95mm CCD camera on κ-goniostat'
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       'CCD rotation images, thick slices'
_diffrn_orient_matrix_type       'by Nonius Collect from scalepack cell'
_diffrn_orient_matrix_UB_11      0.122744E-1
_diffrn_orient_matrix_UB_12      -0.318119E-1
_diffrn_orient_matrix_UB_13      -0.156803E-1
_diffrn_orient_matrix_UB_21      0.88208E-2
_diffrn_orient_matrix_UB_22      0.188096E-1
_diffrn_orient_matrix_UB_23      -0.312557E-1
_diffrn_orient_matrix_UB_31      0.34352E-1
_diffrn_orient_matrix_UB_32      0.65369E-2
_diffrn_orient_matrix_UB_33      0.136285E-1
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.053
_diffrn_reflns_av_unetI/netI     0.0574
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            11862
_diffrn_reflns_theta_full        26.02
_diffrn_reflns_theta_max         26.02
_diffrn_reflns_theta_min         3.42
_diffrn_source                   'Enraf Nonius FR590'
_exptl_absorpt_coefficient_mu    3.93
_exptl_absorpt_correction_T_max  0.4924
_exptl_absorpt_correction_T_min  0.4016
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
        [c.f. r.h. blessing, acta cryst. (1995), a51, 33-38]
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.754
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             9944
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_refine_diff_density_max         1.238
_refine_diff_density_min         -0.829
_refine_diff_density_rms         0.119
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     175
_refine_ls_number_reflns         3095
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.036
_refine_ls_R_factor_all          0.1054
_refine_ls_R_factor_gt           0.0587
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0735P)²+103.4728P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1365
_refine_ls_wR_factor_ref         0.16
_reflns_number_gt                1938
_reflns_number_total             3095
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om701152k_si_004.cif
_cod_data_source_block           jul1605
_cod_database_code               4070959
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y+1/2, z'
'x, -y, -z+1/2'
'-x, y+1/2, -z+1/2'
'y, z, x'
'-y, -z+1/2, x'
'y, -z, -x+1/2'
'-y, z+1/2, -x+1/2'
'z, x, y'
'-z+1/2, x, -y'
'-z, -x+1/2, y'
'z+1/2, -x+1/2, -y'
'x+1/2, y+1/2, z+1/2'
'-x+1/2, -y+1, z+1/2'
'x+1/2, -y+1/2, -z+1'
'-x+1/2, y+1, -z+1'
'y+1/2, z+1/2, x+1/2'
'-y+1/2, -z+1, x+1/2'
'y+1/2, -z+1/2, -x+1'
'-y+1/2, z+1, -x+1'
'z+1/2, x+1/2, y+1/2'
'-z+1, x+1/2, -y+1/2'
'-z+1/2, -x+1, y+1/2'
'z+1, -x+1, -y+1/2'
'-x, -y, -z'
'x, y-1/2, -z'
'-x, y, z-1/2'
'x, -y-1/2, z-1/2'
'-y, -z, -x'
'y, z-1/2, -x'
'-y, z, x-1/2'
'y, -z-1/2, x-1/2'
'-z, -x, -y'
'z-1/2, -x, y'
'z, x-1/2, -y'
'-z-1/2, x-1/2, y'
'-x+1/2, -y+1/2, -z+1/2'
'x+1/2, y, -z+1/2'
'-x+1/2, y+1/2, z'
'x+1/2, -y, z'
'-y+1/2, -z+1/2, -x+1/2'
'y+1/2, z, -x+1/2'
'-y+1/2, z+1/2, x'
'y+1/2, -z, x'
'-z+1/2, -x+1/2, -y+1/2'
'z, -x+1/2, y+1/2'
'z+1/2, x, -y+1/2'
'-z, x, y+1/2'
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
Sm Sm 0.069129(19) -0.03216(2) 0.057023(18) 0.0646(2) Uani 1 1 d . . .
O1 O 0 0 0 0.146(9) Uani 1 6 d S . .
O2 O 0.0255(3) -0.0951(3) 0.0111(3) 0.084(2) Uani 0.990(3) 1 d P A .
O3 O 0.0523(4) 0.0523(4) 0.0523(4) 0.096(5) Uani 0.785(6) 3 d SP A .
C1 C 0.1047(6) -0.0724(11) 0.1439(5) 0.140(7) Uani 1 1 d . A .
C2 C 0.1310(9) -0.0263(9) 0.1364(9) 0.160(8) Uani 1 1 d . A .
C3 C 0.1640(5) -0.0373(8) 0.0970(8) 0.129(6) Uani 1 1 d . A .
C4 C 0.1567(5) -0.0842(7) 0.0784(5) 0.099(4) Uani 1 1 d . A .
C5 C 0.1195(5) -0.1078(6) 0.1070(6) 0.115(5) Uani 1 1 d . A .
C6 C 0.0641(7) -0.0862(14) 0.1850(7) 0.283(19) Uani 1 1 d . . .
C7 C 0.1272(11) 0.0204(15) 0.1714(14) 0.35(3) Uani 1 1 d . . .
C8 C 0.2041(9) 0.0001(12) 0.0812(16) 0.36(3) Uani 1 1 d . . .
C9 C 0.1880(8) -0.1071(11) 0.0391(7) 0.219(13) Uani 1 1 d . . .
C10 C 0.1018(9) -0.1616(7) 0.1013(12) 0.256(16) Uani 1 1 d . . .
C11 C 0.0385(3) -0.1418(3) 0.0162(3) 0.073(5) Uani 0.990(3) 1 d P A 1
C12 C 0.08637(10) 0.08637(10) 0.08637(10) 0.100(3) Uani 0.785(6) 3 d SP A 1
I11 I 0.0385(3) -0.1418(3) 0.0162(3) 0.073(5) Uani 0.010(3) 1 d P A 2
I12 I 0.08637(10) 0.08637(10) 0.08637(10) 0.100(3) Uani 0.215(6) 3 d SP A 2
K K 0.25 -0.25 0.25 0.105(2) Uani 1 6 d S . 2
O4 O 0.2366(6) -0.1549(5) 0.2379(7) 0.204(7) Uani 1 1 d . B 2
C13 C 0.2213(11) -0.1217(12) 0.2033(10) 0.244(14) Uani 1 1 d . B 2
H13A H 0.1848 -0.1261 0.1979 0.293 Uiso 1 1 calc R B 2
H13B H 0.2384 -0.1292 0.1712 0.293 Uiso 1 1 calc R B 2
C14 C 0.2308(12) -0.0705(10) 0.2165(11) 0.215(11) Uani 1 1 d . B 2
H14A H 0.2513 -0.0537 0.1905 0.257 Uiso 1 1 calc R B 2
H14B H 0.1989 -0.0518 0.2206 0.257 Uiso 1 1 calc R B 2
C15 C 0.2567(12) -0.0735(9) 0.2618(11) 0.209(11) Uani 1 1 d . B 2
H15A H 0.2424 -0.0505 0.2872 0.251 Uiso 1 1 calc R B 2
H15B H 0.2928 -0.066 0.2573 0.251 Uiso 1 1 calc R B 2
C16 C 0.249(2) -0.1252(11) 0.2753(15) 0.42(4) Uani 1 1 d . B 2
H16A H 0.2799 -0.1382 0.291 0.505 Uiso 1 1 calc R B 2
H16B H 0.2219 -0.1267 0.3008 0.505 Uiso 1 1 calc R B 2
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 0 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.006 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sm Sm -0.1638 3.4418 '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'
K K 0.2009 0.2494 '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
O3 Sm O2 77.0(2) . 33
O3 Sm O2 77.0(2) . 29
O2 Sm O2 129.9(3) 33 29
O3 Sm O2 124.5(5) . .
O2 Sm O2 80.3(2) 33 .
O2 Sm O2 80.3(2) 29 .
O3 Sm O1 59.7(4) . .
O2 Sm O1 64.94(18) 33 .
O2 Sm O1 64.94(19) 29 .
O2 Sm O1 64.88(18) . .
O3 Sm C2 96.1(7) . .
O2 Sm C2 102.2(7) 33 .
O2 Sm C2 122.6(7) 29 .
O2 Sm C2 138.2(6) . .
O1 Sm C2 153.8(4) . .
O3 Sm C1 120.0(7) . .
O2 Sm C1 88.8(4) 33 .
O2 Sm C1 141.3(4) 29 .
O2 Sm C1 109.3(6) . .
O1 Sm C1 153.5(3) . .
C2 Sm C1 30.6(6) . .
O3 Sm C3 104.5(6) . .
O2 Sm C3 131.9(5) 33 .
O2 Sm C3 95.9(5) 29 .
O2 Sm C3 127.8(6) . .
O1 Sm C3 156.5(4) . .
C2 Sm C3 29.9(6) . .
C1 Sm C3 48.0(5) . .
O3 Sm C5 146.6(6) . .
O2 Sm C5 106.6(4) 33 .
O2 Sm C5 118.5(4) 29 .
O2 Sm C5 88.3(4) . .
O1 Sm C5 152.6(3) . .
C2 Sm C5 50.6(6) . .
C1 Sm C5 30.0(5) . .
C3 Sm C5 47.9(5) . .
O3 Sm C4 131.7(6) . .
O2 Sm C4 135.0(3) 33 .
O2 Sm C4 93.7(3) 29 .
O2 Sm C4 99.5(4) . .
O1 Sm C4 154.5(3) . .
C2 Sm C4 49.5(5) . .
C1 Sm C4 48.3(4) . .
C3 Sm C4 28.4(5) . .
C5 Sm C4 29.3(4) . .
O3 Sm I11 87.23(15) . 33
O2 Sm I11 20.8(2) 33 33
O2 Sm I11 150.6(2) 29 33
O2 Sm I11 88.8(2) . 33
O1 Sm I11 85.71(15) . 33
C2 Sm I11 83.3(7) . 33
C1 Sm I11 68.1(3) . 33
C3 Sm I11 112.1(5) . 33
C5 Sm I11 88.1(4) . 33
C4 Sm I11 115.1(3) . 33
O3 Sm C11 87.23(15) . 33
O2 Sm C11 20.8(2) 33 33
O2 Sm C11 150.6(2) 29 33
O2 Sm C11 88.8(2) . 33
O1 Sm C11 85.71(15) . 33
C2 Sm C11 83.3(7) . 33
C1 Sm C11 68.1(3) . 33
C3 Sm C11 112.1(5) . 33
C5 Sm C11 88.1(4) . 33
C4 Sm C11 115.1(3) . 33
I11 Sm C11 0.0(4) 33 33
O3 Sm C11 145.1(5) . .
O2 Sm C11 89.0(2) 33 .
O2 Sm C11 88.6(2) 29 .
O2 Sm C11 20.5(2) . .
O1 Sm C11 85.40(16) . .
C2 Sm C11 118.3(6) . .
C1 Sm C11 91.1(6) . .
C3 Sm C11 108.6(5) . .
C5 Sm C11 68.0(4) . .
C4 Sm C11 80.2(4) . .
I11 Sm C11 90.63(18) 33 .
C11 Sm C11 90.63(18) 33 .
O3 Sm I11 86.82(16) . 29
O2 Sm I11 150.2(2) 33 29
O2 Sm I11 20.4(2) 29 29
O2 Sm I11 88.9(2) . 29
O1 Sm I11 85.35(14) . 29
C2 Sm I11 104.2(7) . 29
C1 Sm I11 120.9(3) . 29
C3 Sm I11 76.1(5) . 29
C5 Sm I11 100.7(4) . 29
C4 Sm I11 73.9(3) . 29
I11 Sm I11 170.90(18) 33 29
C11 Sm I11 170.90(18) 33 29
C11 Sm I11 90.32(16) . 29
O3 Sm C11 86.82(16) . 29
O2 Sm C11 150.2(2) 33 29
O2 Sm C11 20.4(2) 29 29
O2 Sm C11 88.9(2) . 29
O1 Sm C11 85.35(14) . 29
C2 Sm C11 104.2(7) . 29
C1 Sm C11 120.9(3) . 29
C3 Sm C11 76.1(5) . 29
C5 Sm C11 100.7(4) . 29
C4 Sm C11 73.9(3) . 29
I11 Sm C11 170.90(18) 33 29
C11 Sm C11 170.90(18) 33 29
C11 Sm C11 90.32(16) . 29
I11 Sm C11 0.0(4) 29 29
O3 Sm C12 25.7(4) . .
O2 Sm C12 87.30(18) 33 .
O2 Sm C12 87.30(17) 29 .
O2 Sm C12 150.25(18) . .
O1 Sm C12 85.37(5) . .
C2 Sm C12 70.8(5) . .
C1 Sm C12 97.3(6) . .
C3 Sm C12 80.1(5) . .
C5 Sm C12 121.2(4) . .
C4 Sm C12 108.3(4) . .
I11 Sm C12 88.95(16) 33 .
C11 Sm C12 88.95(16) 33 .
C11 Sm C12 170.77(17) . .
I11 Sm C12 88.66(17) 29 .
C11 Sm C12 88.66(17) 29 .
Sm O1 Sm 90.730(17) 9 5
Sm O1 Sm 90.730(17) 9 .
Sm O1 Sm 90.730(17) 5 .
Sm O1 Sm 180.00(3) 9 33
Sm O1 Sm 89.270(17) 5 33
Sm O1 Sm 89.270(17) . 33
Sm O1 Sm 89.270(17) 9 29
Sm O1 Sm 180.00(3) 5 29
Sm O1 Sm 89.270(17) . 29
Sm O1 Sm 90.730(17) 33 29
Sm O1 Sm 89.270(17) 9 25
Sm O1 Sm 89.270(17) 5 25
Sm O1 Sm 180.00(3) . 25
Sm O1 Sm 90.730(17) 33 25
Sm O1 Sm 90.730(17) 29 25
C11 O2 Sm 118.9(6) . 29
C11 O2 Sm 120.0(6) . 33
Sm O2 Sm 99.1(3) 29 33
C11 O2 Sm 119.6(6) . .
Sm O2 Sm 97.2(3) 29 .
Sm O2 Sm 97.2(3) 33 .
C12 O3 Sm 114.9(4) . 9
C12 O3 Sm 114.9(4) . 5
Sm O3 Sm 103.5(5) 9 5
C12 O3 Sm 114.9(4) . .
Sm O3 Sm 103.5(5) 9 .
Sm O3 Sm 103.5(5) 5 .
C5 C1 C2 109.8(15) . .
C5 C1 C6 121(3) . .
C2 C1 C6 129(3) . .
C5 C1 Sm 76.7(7) . .
C2 C1 Sm 73.4(9) . .
C6 C1 Sm 116.3(10) . .
C3 C2 C1 103.5(17) . .
C3 C2 C7 131(3) . .
C1 C2 C7 125(3) . .
C3 C2 Sm 77.4(9) . .
C1 C2 Sm 76.0(8) . .
C7 C2 Sm 118.5(13) . .
C4 C3 C2 112.0(17) . .
C4 C3 C8 127(3) . .
C2 C3 C8 121(3) . .
C4 C3 Sm 76.8(8) . .
C2 C3 Sm 72.7(8) . .
C8 C3 Sm 120.4(12) . .
C3 C4 C5 108.5(14) . .
C3 C4 C9 124(2) . .
C5 C4 C9 127(2) . .
C3 C4 Sm 74.7(8) . .
C5 C4 Sm 74.9(7) . .
C9 C4 Sm 122.5(10) . .
C4 C5 C1 106.0(15) . .
C4 C5 C10 126(2) . .
C1 C5 C10 128(2) . .
C4 C5 Sm 75.8(7) . .
C1 C5 Sm 73.4(8) . .
C10 C5 Sm 119.4(9) . .
O4 K O4 90.2(7) 37_545 35
O4 K O4 89.8(7) 37_545 23_545
O4 K O4 180.0(8) 35 23_545
O4 K O4 90.2(7) 37_545 44
O4 K O4 90.2(7) 35 44
O4 K O4 89.8(7) 23_545 44
O4 K O4 89.8(7) 37_545 8_545
O4 K O4 89.8(7) 35 8_545
O4 K O4 90.2(7) 23_545 8_545
O4 K O4 180.0(7) 44 8_545
O4 K O4 180.0(7) 37_545 .
O4 K O4 89.8(7) 35 .
O4 K O4 90.2(7) 23_545 .
O4 K O4 89.8(7) 44 .
O4 K O4 90.2(7) 8_545 .
C16 O4 C13 101.5(19) . .
C16 O4 K 117.5(14) . .
C13 O4 K 140.9(18) . .
O4 C13 C14 114(2) . .
C15 C14 C13 104(2) . .
C14 C15 C16 101(2) . .
O4 C16 C15 115(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Sm O3 2.298(8) .
Sm O2 2.373(7) 33
Sm O2 2.373(7) 29
Sm O2 2.378(8) .
Sm O1 2.5369(5) .
Sm C2 2.686(15) .
Sm C1 2.720(12) .
Sm C3 2.747(13) .
Sm C5 2.762(12) .
Sm C4 2.773(12) .
Sm I11 3.209(8) 33
Sm C11 3.209(8) 33
Sm C11 3.223(9) .
Sm I11 3.226(8) 29
Sm C11 3.226(8) 29
Sm C12 3.286(3) .
O1 Sm 2.5369(5) 9
O1 Sm 2.5369(5) 5
O1 Sm 2.5369(5) 33
O1 Sm 2.5369(5) 29
O1 Sm 2.5369(5) 25
O2 C11 1.299(10) .
O2 Sm 2.373(7) 29
O2 Sm 2.373(7) 33
O3 C12 1.57(2) .
O3 Sm 2.298(8) 9
O3 Sm 2.298(8) 5
C1 C5 1.42(2) .
C1 C2 1.43(3) .
C1 C6 1.58(2) .
C2 C3 1.40(3) .
C2 C7 1.56(3) .
C3 C4 1.36(2) .
C3 C8 1.52(2) .
C4 C5 1.399(19) .
C4 C9 1.47(2) .
C5 C10 1.52(2) .
C11 Sm 3.209(8) 29
C11 Sm 3.226(8) 33
C12 Sm 3.286(3) 9
C12 Sm 3.286(3) 5
K O4 2.580(12) 37_545
K O4 2.580(12) 35
K O4 2.580(12) 23_545
K O4 2.580(12) 44
K O4 2.580(12) 8_545
K O4 2.580(12) .
K C16 3.39(3) 35
K C16 3.39(3) .
K C16 3.39(3) 23_545
K C16 3.39(3) 8_545
K C16 3.39(3) 44
K C16 3.39(3) 37_545
O4 C16 1.31(3) .
O4 C13 1.34(2) .
C13 C14 1.43(3) .
C14 C15 1.39(3) .
C15 C16 1.44(3) .
