Potassium bis(1,1,1,5,5,5-hexafluoropentane-2,4-dionato)bis(4,4,4-trifluoro-1-phenylbutane-1,3-dionato)europate(III)
Stanley, Julie M.; Holliday, Bradley J.; Acta Crystallographica Section E 66 (2010) m799–m800; doi:10.1107/S1600536810021458

data_2226574
_publ_section_title
;
 Potassium
 bis(1,1,1,5,5,5-hexafluoropentane-2,4-dionato)bis(4,4,4-trifluoro-1-phenylbutane-1,3-dionato)europate(III)
;
_journal_coeditor_code           LH5047
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m799
_journal_page_last               m800
_journal_paper_doi               10.1107/S1600536810021458
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          'K [Eu (C5 H F6 O2)2 (C10 H6 F3 O2)2]'
_chemical_formula_moiety         'K +, C30 H14 Eu F18 O8 -'
_chemical_formula_sum            'C30 H14 Eu F18 K O8'
_chemical_formula_weight         1035.47
_chemical_name_common            'potassium bis(hfac)-bis(btfac)europium(III)'
_chemical_name_systematic
;
Potassium bis(1,1,1,5,5,5-hexafluoropentane-2,4-dionato)bis(4,4,4-trifluoro-1-
phenylbutane-1,3-dionato)europate(III)
;
_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           SHELXL97
_cell_angle_alpha                68.457(8)
_cell_angle_beta                 71.791(8)
_cell_angle_gamma                71.726(8)
_cell_formula_units_Z            2
_cell_length_a                   11.737(2)
_cell_length_b                   12.468(2)
_cell_length_c                   13.788(3)
_cell_measurement_reflns_used    30786
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.50
_cell_measurement_theta_min      4.70
_cell_volume                     1737.0(6)
_computing_cell_refinement       'CrystalClear (Rigaku/MSC, 2008)'
_computing_data_collection       'CrystalClear (Rigaku/MSC, 2008)'
_computing_data_reduction        'CrystalClear (Rigaku/MSC, 2008)'
_computing_molecular_graphics
'ORTEP-3 (Farrugia, 1997) and POV-RAY (Persistence of Vision, 2004)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution
;
SIR97 (Altomare <i>et al.</i>,  1999) within WinGX (Farrugia,
1999)
;
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.961
_diffrn_measured_fraction_theta_max 0.961
_diffrn_measurement_device_type  'Rigaku AFC12 with Saturn 724+ CCD'
_diffrn_measurement_method       \w-scans
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0330
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            25336
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         4.70
_exptl_absorpt_coefficient_mu    2.071
_exptl_absorpt_correction_T_max  0.9405
_exptl_absorpt_correction_T_min  0.7892
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 2001)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.980
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1004
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.03
_refine_diff_density_max         3.652
_refine_diff_density_min         -3.790
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   2.995
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     527
_refine_ls_number_reflns         25336
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      2.995
_refine_ls_R_factor_all          0.1093
_refine_ls_R_factor_gt           0.0964
_refine_ls_shift/su_max          0.008
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0400P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1924
_refine_ls_wR_factor_ref         0.1969
_reflns_number_gt                22905
_reflns_number_total             25336
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            lh5047.cif
_cod_data_source_block           I
_cod_original_cell_volume        1737.1(5)
_cod_database_code               2226574
_cod_database_fobs_code          2226574