#------------------------------------------------------------------------------
#$Date: 2016-03-25 12:21:42 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179812 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/08/7010812.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_7010812
loop_
_publ_author_name
'William J. Evans'
'Dimitrios G. Giarikos'
'Matthew A. Johnston'
'Michael A. Greci'
'Joseph W. Ziller'
_publ_section_title
;
 Reactivity of the europium hexafluoroacetylacetonate (hfac) complex,
 Eu(hfac)3(diglyme), and related analogs with potassium: formation of
 the fluoride hfac “ate” complexes,
 [LnF(hfac)3K(diglyme)]2
;
_journal_issue                   4
_journal_name_full               'J. Chem. Soc., Dalton Trans.'
_journal_page_first              520
_journal_page_last               526
_journal_paper_doi               10.1039/b104095m
_journal_year                    2002
_chemical_formula_sum            'C42 H34 F38 K2 O18 Sm2'
_chemical_formula_weight         1927.59
_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           SHELXTL
_cell_angle_alpha                92.2920(10)
_cell_angle_beta                 114.6330(10)
_cell_angle_gamma                113.6860(10)
_cell_formula_units_Z            1
_cell_length_a                   12.0241(6)
_cell_length_b                   12.4246(6)
_cell_length_c                   13.5664(7)
_cell_measurement_temperature    163(2)
_cell_volume                     1633.89(14)
_computing_cell_refinement       'Bruker SMART/SAINT'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      163(2)
_diffrn_measured_fraction_theta_full 0.948
_diffrn_measured_fraction_theta_max 0.948
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0266
_diffrn_reflns_av_sigmaI/netI    0.0296
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            17419
_diffrn_reflns_theta_full        28.28
_diffrn_reflns_theta_max         28.28
_diffrn_reflns_theta_min         1.71
_diffrn_standards_decay_%        '< 1.0'
_exptl_absorpt_coefficient_mu    2.078
_exptl_absorpt_correction_T_max  0.7322
_exptl_absorpt_correction_T_min  0.6247
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'Bruker SADABS'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.959
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       multi-faceted-polyhedra
_exptl_crystal_F_000             934
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.900
_refine_diff_density_min         -0.729
_refine_diff_density_rms         0.084
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     487
_refine_ls_number_reflns         7666
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.026
_refine_ls_R_factor_all          0.0269
_refine_ls_R_factor_gt           0.0247
_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)+(0.0299P)²+1.5301P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0614
_refine_ls_wR_factor_ref         0.0628
_reflns_number_gt                7216
_reflns_number_total             7666
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b104095m.txt
_cod_data_source_block           dg19
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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 

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               7010812
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
Sm1 Sm -0.160670(11) -0.140414(10) -0.093501(9) 0.01973(4) Uani 1 1 d . . .
K1 K -0.03938(5) 0.17516(5) -0.21720(4) 0.02500(10) Uani 1 1 d . . .
F1 F -0.06026(16) 0.06890(13) -0.04800(12) 0.0312(3) Uani 1 1 d . . .
O1 O -0.36803(18) -0.12266(18) -0.13695(14) 0.0303(4) Uani 1 1 d . . .
O2 O -0.17142(17) -0.09335(16) 0.08330(14) 0.0265(3) Uani 1 1 d . . .
O3 O -0.08028(19) -0.26076(16) -0.16472(14) 0.0281(4) Uani 1 1 d . . .
O4 O -0.16616(18) -0.09390(15) -0.26749(13) 0.0242(3) Uani 1 1 d . . .
O5 O -0.19982(19) -0.30926(16) -0.00527(15) 0.0303(4) Uani 1 1 d . . .
O6 O -0.36114(19) -0.32364(17) -0.23211(15) 0.0357(4) Uani 1 1 d . . .
O7 O -0.2036(2) 0.22193(19) -0.14415(18) 0.0393(4) Uani 1 1 d . . .
O8 O -0.3059(2) 0.11998(17) -0.37131(16) 0.0344(4) Uani 1 1 d . . .
O9 O -0.0864(2) 0.2915(2) -0.39197(17) 0.0393(5) Uani 1 1 d . . .
C1 C -0.5903(3) -0.1652(3) -0.1689(2) 0.0335(6) Uani 1 1 d . . .
C2 C -0.4408(2) -0.1369(2) -0.0894(2) 0.0247(5) Uani 1 1 d . . .
C3 C -0.4034(3) -0.1324(2) 0.0227(2) 0.0281(5) Uani 1 1 d . . .
H3 H -0.4698 -0.1452 0.0475 0.034 Uiso 1 1 calc R . .
C4 C -0.2700(2) -0.1094(2) 0.10027(19) 0.0240(5) Uani 1 1 d . . .
C5 C -0.2384(3) -0.1038(3) 0.2228(2) 0.0326(6) Uani 1 1 d . . .
C6 C -0.0764(3) -0.4070(2) -0.2773(2) 0.0312(5) Uani 1 1 d . . .
C7 C -0.1048(2) -0.2988(2) -0.26158(19) 0.0235(4) Uani 1 1 d . . .
C8 C -0.1497(3) -0.2533(2) -0.35492(19) 0.0253(5) Uani 1 1 d . . .
H8 H -0.1664 -0.2928 -0.4247 0.030 Uiso 1 1 calc R . .
C9 C -0.1703(2) -0.1520(2) -0.34833(18) 0.0223(4) Uani 1 1 d . . .
C10 C -0.2032(3) -0.1012(2) -0.4530(2) 0.0290(5) Uani 1 1 d . . .
C11 C -0.2738(3) -0.4793(3) 0.0614(3) 0.0399(7) Uani 1 1 d . . .
C12 C -0.2895(3) -0.4175(2) -0.0357(2) 0.0273(5) Uani 1 1 d . . .
C13 C -0.3983(3) -0.4836(2) -0.1414(2) 0.0361(6) Uani 1 1 d . . .
H13 H -0.4567 -0.5670 -0.1527 0.043 Uiso 1 1 calc R . .
C14 C -0.4239(3) -0.4299(2) -0.2318(2) 0.0315(5) Uani 1 1 d . A .
C15 C -0.5441(4) -0.5128(3) -0.3458(3) 0.0554(9) Uani 1 1 d . . .
C16 C -0.1505(4) 0.3183(3) -0.0512(3) 0.0517(8) Uani 1 1 d . . .
H16A H -0.0531 0.3420 -0.0018 0.078 Uiso 1 1 calc R . .
H16B H -0.2025 0.2914 -0.0097 0.078 Uiso 1 1 calc R . .
H16C H -0.1593 0.3880 -0.0780 0.078 Uiso 1 1 calc R . .
C17 C -0.3445(3) 0.1824(3) -0.2195(3) 0.0441(7) Uani 1 1 d . . .
H17A H -0.3577 0.2513 -0.2469 0.053 Uiso 1 1 calc R . .
H17B H -0.4006 0.1510 -0.1810 0.053 Uiso 1 1 calc R . .
C18 C -0.3892(3) 0.0847(3) -0.3158(3) 0.0429(7) Uani 1 1 d . . .
H18A H -0.3861 0.0128 -0.2883 0.051 Uiso 1 1 calc R . .
H18B H -0.4860 0.0606 -0.3708 0.051 Uiso 1 1 calc R . .
C19 C -0.3189(3) 0.2101(3) -0.4307(3) 0.0400(6) Uani 1 1 d . . .
H19A H -0.2951 0.2837 -0.3791 0.048 Uiso 1 1 calc R . .
H19B H -0.4151 0.1791 -0.4906 0.048 Uiso 1 1 calc R . .
C20 C -0.2246(3) 0.2401(3) -0.4801(2) 0.0410(7) Uani 1 1 d . . .
H20A H -0.2459 0.1658 -0.5292 0.049 Uiso 1 1 calc R . .
H20B H -0.2363 0.2986 -0.5259 0.049 Uiso 1 1 calc R . .
C21 C 0.0107(5) 0.3324(5) -0.4325(4) 0.0739(13) Uani 1 1 d . . .
H21A H 0.1042 0.3671 -0.3694 0.111 Uiso 1 1 calc R . .
H21B H -0.0001 0.3945 -0.4724 0.111 Uiso 1 1 calc R . .
H21C H -0.0046 0.2639 -0.4837 0.111 Uiso 1 1 calc R . .
F2 F -0.65738(18) -0.27391(19) -0.23873(16) 0.0551(5) Uani 1 1 d . . .
F3 F -0.59455(19) -0.0848(2) -0.23019(18) 0.0589(6) Uani 1 1 d . . .
F4 F -0.66207(17) -0.16470(19) -0.11604(15) 0.0477(4) Uani 1 1 d . . .
F5 F -0.34896(19) -0.1457(2) 0.23760(14) 0.0520(5) Uani 1 1 d . . .
F6 F -0.1724(2) -0.1688(2) 0.26509(14) 0.0489(5) Uani 1 1 d . . .
F7 F -0.1567(2) 0.00948(19) 0.28516(15) 0.0557(5) Uani 1 1 d . . .
F8 F -0.1340(2) -0.46435(17) -0.38318(14) 0.0541(5) Uani 1 1 d . . .
F9 F -0.1195(3) -0.48657(17) -0.22415(19) 0.0633(6) Uani 1 1 d . . .
F10 F 0.0577(2) -0.3699(2) -0.2347(2) 0.0699(7) Uani 1 1 d . . .
F11 F -0.1320(2) 0.01995(14) -0.42469(13) 0.0406(4) Uani 1 1 d . . .
F12 F -0.1709(2) -0.14123(17) -0.52444(14) 0.0470(5) Uani 1 1 d . . .
F13 F -0.33516(19) -0.12997(19) -0.50706(15) 0.0518(5) Uani 1 1 d . . .
F14 F -0.3041(3) -0.4328(2) 0.1301(2) 0.0751(7) Uani 1 1 d . . .
F15 F -0.3512(3) -0.59824(18) 0.0301(2) 0.0734(7) Uani 1 1 d . . .
F16 F -0.1451(2) -0.4598(2) 0.12062(19) 0.0654(6) Uani 1 1 d . . .
F17 F -0.6536(10) -0.5847(10) -0.3424(9) 0.122(5) Uani 0.60 1 d P A 1
F18 F -0.5765(8) -0.4551(8) -0.4220(5) 0.080(2) Uani 0.60 1 d P A 1
F19 F -0.5049(12) -0.5812(9) -0.3893(9) 0.107(4) Uani 0.60 1 d P A 1
F17B F -0.6289(15) -0.6134(9) -0.3374(14) 0.087(5) Uani 0.40 1 d P A 2
F18B F -0.6261(15) -0.4612(12) -0.3863(13) 0.152(7) Uani 0.40 1 d P A 2
F19B F -0.5092(16) -0.544(2) -0.4075(13) 0.165(11) Uani 0.40 1 d P A 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 0.0000 0.0000 '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'
F F 0.0171 0.0103 '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'
Sm Sm -0.1638 3.4418 '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
F1 Sm1 F1 72.10(6) 2 . ?
F1 Sm1 O1 140.20(6) 2 . ?
F1 Sm1 O1 82.88(6) . . ?
F1 Sm1 O4 111.92(5) 2 . ?
F1 Sm1 O4 77.76(5) . . ?
O1 Sm1 O4 91.62(6) . . ?
F1 Sm1 O3 78.83(6) 2 . ?
F1 Sm1 O3 125.05(6) . . ?
O1 Sm1 O3 140.61(6) . . ?
O4 Sm1 O3 71.35(5) . . ?
F1 Sm1 O5 82.17(6) 2 . ?
F1 Sm1 O5 140.35(5) . . ?
O1 Sm1 O5 99.64(6) . . ?
O4 Sm1 O5 141.06(6) . . ?
O3 Sm1 O5 76.59(6) . . ?
F1 Sm1 O6 143.22(6) 2 . ?
F1 Sm1 O6 143.59(6) . . ?
O1 Sm1 O6 70.60(7) . . ?
O4 Sm1 O6 78.51(6) . . ?
O3 Sm1 O6 71.28(7) . . ?
O5 Sm1 O6 70.59(6) . . ?
F1 Sm1 O2 74.69(5) 2 . ?
F1 Sm1 O2 77.47(5) . . ?
O1 Sm1 O2 69.89(6) . . ?
O4 Sm1 O2 150.65(6) . . ?
O3 Sm1 O2 136.97(5) . . ?
O5 Sm1 O2 66.77(6) . . ?
O6 Sm1 O2 114.07(6) . . ?
F1 Sm1 Sm1 36.21(4) 2 2 ?
F1 Sm1 Sm1 35.89(4) . 2 ?
O1 Sm1 Sm1 113.35(5) . 2 ?
O4 Sm1 Sm1 95.64(4) . 2 ?
O3 Sm1 Sm1 103.72(4) . 2 ?
O5 Sm1 Sm1 113.21(4) . 2 ?
O6 Sm1 Sm1 173.22(5) . 2 ?
O2 Sm1 Sm1 72.70(4) . 2 ?
F1 Sm1 K1 40.82(4) 2 2 ?
F1 Sm1 K1 96.71(4) . 2 ?
O1 Sm1 K1 116.17(4) . 2 ?
O4 Sm1 K1 151.01(4) . 2 ?
O3 Sm1 K1 89.91(4) . 2 ?
O5 Sm1 K1 46.47(4) . 2 ?
O6 Sm1 K1 117.02(5) . 2 ?
O2 Sm1 K1 48.45(4) . 2 ?
Sm1 Sm1 K1 66.820(8) 2 2 ?
F1 Sm1 K1 90.69(4) 2 . ?
F1 Sm1 K1 35.44(4) . . ?
O1 Sm1 K1 85.91(4) . . ?
O4 Sm1 K1 42.32(4) . . ?
O3 Sm1 K1 101.99(4) . . ?
O5 Sm1 K1 172.86(4) . . ?
O6 Sm1 K1 115.78(5) . . ?
O2 Sm1 K1 111.53(4) . . ?
Sm1 Sm1 K1 60.111(8) 2 . ?
K1 Sm1 K1 126.931(7) 2 . ?
F1 K1 O8 105.74(5) . . ?
F1 K1 O7 66.79(5) . . ?
O8 K1 O7 60.87(6) . . ?
F1 K1 O9 162.44(6) . . ?
O8 K1 O9 59.93(6) . . ?
O7 K1 O9 96.15(6) . . ?
F1 K1 F11 117.61(5) . . ?
O8 K1 F11 67.45(6) . . ?
O7 K1 F11 126.38(6) . . ?
O9 K1 F11 68.35(6) . . ?
F1 K1 F6 113.77(5) . 2 ?
O8 K1 F6 126.86(6) . 2 ?
O7 K1 F6 169.47(7) . 2 ?
O9 K1 F6 83.78(5) . 2 ?
F11 K1 F6 63.38(6) . 2 ?
F1 K1 O5 66.13(5) . 2 ?
O8 K1 O5 148.92(6) . 2 ?
O7 K1 O5 89.37(6) . 2 ?
O9 K1 O5 120.05(6) . 2 ?
F11 K1 O5 143.54(6) . 2 ?
F6 K1 O5 81.63(5) 2 2 ?
F1 K1 O4 62.67(4) . . ?
O8 K1 O4 80.59(5) . . ?
O7 K1 O4 101.80(6) . . ?
O9 K1 O4 120.09(6) . . ?
F11 K1 O4 54.98(4) . . ?
F6 K1 O4 87.21(6) 2 . ?
O5 K1 O4 116.83(5) 2 . ?
F1 K1 O2 60.61(5) . 2 ?
O8 K1 O2 149.94(6) . 2 ?
O7 K1 O2 124.40(5) . 2 ?
O9 K1 O2 136.90(5) . 2 ?
F11 K1 O2 94.17(5) . 2 ?
F6 K1 O2 53.61(4) 2 2 ?
O5 K1 O2 54.31(5) 2 2 ?
O4 K1 O2 69.35(5) . 2 ?
F1 K1 F16 109.66(5) . 2 ?
O8 K1 F16 110.68(6) . 2 ?
O7 K1 F16 81.84(6) . 2 ?
O9 K1 F16 70.07(6) . 2 ?
F11 K1 F16 131.38(6) . 2 ?
F6 K1 F16 88.27(6) 2 2 ?
O5 K1 F16 51.73(5) 2 2 ?
O4 K1 F16 168.28(5) . 2 ?
O2 K1 F16 99.33(5) 2 2 ?
F1 K1 C18 83.74(6) . . ?
O8 K1 C18 23.13(7) . . ?
O7 K1 C18 42.59(7) . . ?
O9 K1 C18 80.49(7) . . ?
F11 K1 C18 83.79(7) . . ?
F6 K1 C18 146.96(7) 2 . ?
O5 K1 C18 131.34(7) 2 . ?
O4 K1 C18 76.07(6) . . ?
O2 K1 C18 138.58(6) 2 . ?
F16 K1 C18 112.92(7) 2 . ?
F1 K1 Sm1 33.07(3) . 2 ?
O8 K1 Sm1 138.19(4) . 2 ?
O7 K1 Sm1 86.59(4) . 2 ?
O9 K1 Sm1 156.86(5) . 2 ?
F11 K1 Sm1 127.47(4) . 2 ?
F6 K1 Sm1 89.42(3) 2 2 ?
O5 K1 Sm1 36.86(3) 2 2 ?
O4 K1 Sm1 81.45(3) . 2 ?
O2 K1 Sm1 38.49(3) 2 2 ?
F16 K1 Sm1 87.69(4) 2 2 ?
C18 K1 Sm1 115.35(6) . 2 ?
Sm1 F1 Sm1 107.90(6) 2 . ?
Sm1 F1 K1 106.11(6) 2 . ?
Sm1 F1 K1 115.36(6) . . ?
C2 O1 Sm1 134.18(15) . . ?
C4 O2 Sm1 131.54(15) . . ?
C4 O2 K1 121.97(14) . 2 ?
Sm1 O2 K1 93.06(5) . 2 ?
C7 O3 Sm1 131.51(15) . . ?
C9 O4 Sm1 131.81(15) . . ?
C9 O4 K1 119.66(14) . . ?
Sm1 O4 K1 104.21(5) . . ?
C12 O5 Sm1 135.15(17) . . ?
C12 O5 K1 128.15(16) . 2 ?
Sm1 O5 K1 96.67(6) . 2 ?
C14 O6 Sm1 135.82(17) . . ?
C17 O7 C16 112.8(2) . . ?
C17 O7 K1 119.77(18) . . ?
C16 O7 K1 123.48(19) . . ?
C19 O8 C18 114.6(2) . . ?
C19 O8 K1 115.14(16) . . ?
C18 O8 K1 107.77(16) . . ?
C21 O9 C20 112.0(3) . . ?
C21 O9 K1 118.9(2) . . ?
C20 O9 K1 116.14(16) . . ?
F2 C1 F3 107.6(2) . . ?
F2 C1 F4 107.0(2) . . ?
F3 C1 F4 106.8(2) . . ?
F2 C1 C2 110.5(2) . . ?
F3 C1 C2 111.2(2) . . ?
F4 C1 C2 113.5(2) . . ?
O1 C2 C3 128.1(2) . . ?
O1 C2 C1 113.9(2) . . ?
C3 C2 C1 118.0(2) . . ?
C2 C3 C4 121.6(2) . . ?
O2 C4 C3 128.4(2) . . ?
O2 C4 C5 114.1(2) . . ?
C3 C4 C5 117.5(2) . . ?
F5 C5 F7 107.2(2) . . ?
F5 C5 F6 106.9(2) . . ?
F7 C5 F6 107.1(2) . . ?
F5 C5 C4 114.1(2) . . ?
F7 C5 C4 110.8(2) . . ?
F6 C5 C4 110.3(2) . . ?
F9 C6 F8 107.9(2) . . ?
F9 C6 F10 106.3(2) . . ?
F8 C6 F10 107.0(2) . . ?
F9 C6 C7 111.3(2) . . ?
F8 C6 C7 113.5(2) . . ?
F10 C6 C7 110.4(2) . . ?
O3 C7 C8 128.2(2) . . ?
O3 C7 C6 114.8(2) . . ?
C8 C7 C6 116.9(2) . . ?
C9 C8 C7 121.6(2) . . ?
O4 C9 C8 128.9(2) . . ?
O4 C9 C10 114.2(2) . . ?
C8 C9 C10 116.9(2) . . ?
F13 C10 F12 107.9(2) . . ?
F13 C10 F11 107.5(2) . . ?
F12 C10 F11 106.4(2) . . ?
F13 C10 C9 111.0(2) . . ?
F12 C10 C9 112.9(2) . . ?
F11 C10 C9 110.8(2) . . ?
F14 C11 F16 106.8(3) . . ?
F14 C11 F15 108.3(3) . . ?
F16 C11 F15 106.4(3) . . ?
F14 C11 C12 109.8(2) . . ?
F16 C11 C12 110.9(2) . . ?
F15 C11 C12 114.3(3) . . ?
O5 C12 C13 128.8(2) . . ?
O5 C12 C11 112.6(2) . . ?
C13 C12 C11 118.6(2) . . ?
C12 C13 C14 121.3(2) . . ?
O6 C14 C13 128.2(2) . . ?
O6 C14 C15 115.0(3) . . ?
C13 C14 C15 116.8(3) . . ?
F19B C15 F17 121.4(10) . . ?
F19B C15 F18 79.0(13) . . ?
F17 C15 F18 108.7(7) . . ?
F19B C15 F17B 105.0(13) . . ?
F17 C15 F17B 24.1(11) . . ?
F18 C15 F17B 126.0(8) . . ?
F19B C15 F18B 116.1(13) . . ?
F17 C15 F18B 77.0(10) . . ?
F18 C15 F18B 39.9(9) . . ?
F17B C15 F18B 100.3(11) . . ?
F19B C15 F19 23.8(15) . . ?
F17 C15 F19 107.6(8) . . ?
F18 C15 F19 102.0(7) . . ?
F17B C15 F19 86.5(9) . . ?
F18B C15 F19 135.8(9) . . ?
F19B C15 C14 114.0(8) . . ?
F17 C15 C14 114.4(6) . . ?
F18 C15 C14 113.9(4) . . ?
F17B C15 C14 112.8(8) . . ?
F18B C15 C14 108.0(6) . . ?
F19 C15 C14 109.2(6) . . ?
O7 C17 C18 108.8(2) . . ?
O8 C18 C17 113.5(2) . . ?
O8 C18 K1 49.10(12) . . ?
C17 C18 K1 85.97(16) . . ?
O8 C19 C20 108.5(2) . . ?
O9 C20 C19 108.8(2) . . ?
C5 F6 K1 123.64(15) . 2 ?
C10 F11 K1 125.63(13) . . ?
C11 F16 K1 106.84(17) . 2 ?
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
Sm1 F1 2.2907(15) 2 ?
Sm1 F1 2.3086(15) . ?
Sm1 O1 2.4166(18) . ?
Sm1 O4 2.4331(16) . ?
Sm1 O3 2.4347(17) . ?
Sm1 O5 2.4357(17) . ?
Sm1 O6 2.4493(18) . ?
Sm1 O2 2.5137(16) . ?
Sm1 Sm1 3.7187(3) 2 ?
Sm1 K1 4.0333(5) 2 ?
Sm1 K1 4.2765(5) . ?
K1 F1 2.7444(15) . ?
K1 O8 2.765(2) . ?
K1 O7 2.780(2) . ?
K1 O9 2.8004(19) . ?
K1 F11 2.8476(17) . ?
K1 F6 2.9064(18) 2 ?
K1 O5 2.9443(18) 2 ?
K1 O4 2.9699(17) . ?
K1 O2 3.0228(18) 2 ?
K1 F16 3.170(2) 2 ?
K1 C18 3.484(3) . ?
K1 Sm1 4.0333(5) 2 ?
F1 Sm1 2.2907(15) 2 ?
O1 C2 1.252(3) . ?
O2 C4 1.241(3) . ?
O2 K1 3.0228(18) 2 ?
O3 C7 1.246(3) . ?
O4 C9 1.260(3) . ?
O5 C12 1.249(3) . ?
O5 K1 2.9443(18) 2 ?
O6 C14 1.231(3) . ?
O7 C17 1.416(4) . ?
O7 C16 1.424(4) . ?
O8 C19 1.427(3) . ?
O8 C18 1.437(4) . ?
O9 C21 1.417(4) . ?
O9 C20 1.424(4) . ?
C1 F2 1.326(3) . ?
C1 F3 1.328(3) . ?
C1 F4 1.334(3) . ?
C1 C2 1.537(3) . ?
C2 C3 1.386(3) . ?
C3 C4 1.401(3) . ?
C4 C5 1.535(3) . ?
C5 F5 1.324(3) . ?
C5 F7 1.328(3) . ?
C5 F6 1.335(3) . ?
C6 F9 1.313(3) . ?
C6 F8 1.320(3) . ?
C6 F10 1.324(3) . ?
C6 C7 1.541(3) . ?
C7 C8 1.395(3) . ?
C8 C9 1.383(3) . ?
C9 C10 1.542(3) . ?
C10 F13 1.318(3) . ?
C10 F12 1.329(3) . ?
C10 F11 1.338(3) . ?
C11 F14 1.319(4) . ?
C11 F16 1.321(4) . ?
C11 F15 1.322(3) . ?
C11 C12 1.534(4) . ?
C12 C13 1.386(4) . ?
C13 C14 1.400(4) . ?
C14 C15 1.534(4) . ?
C15 F19B 1.193(14) . ?
C15 F17 1.282(9) . ?
C15 F18 1.297(9) . ?
C15 F17B 1.304(11) . ?
C15 F18B 1.330(15) . ?
C15 F19 1.344(9) . ?
C17 C18 1.495(5) . ?
C19 C20 1.479(4) . ?
F6 K1 2.9065(18) 2 ?
F16 K1 3.170(2) 2 ?
