The first perfluoroacetylacetonate metal complexes: as unexpectedly robust as tricky to makeElectronic supplementary information (ESI) available: details of the preparation of the complexes, analytical, NMR spectroscopical, and crystallographic data. See: http://www.rsc.org/suppdata/cc/b1/b111249j/
Petrov, Viacheslav A.; Marshall, William J.; Grushin, Vladimir V.; Chemical Communications  (2002) 520–; doi:10.1039/b111249j

data_7114339
_publ_section_title
;
 The first perfluoroacetylacetonate metal complexes: as unexpectedly
 robust as tricky to makeElectronic supplementary information (ESI)
 available: details of the preparation of the complexes, analytical, NMR
 spectroscopical, and crystallographic data. See:
 http://www.rsc.org/suppdata/cc/b1/b111249j/
;
_journal_issue                   5
_journal_name_full               'Chemical Communications'
_journal_page_first              520
_journal_paper_doi               10.1039/b111249j
_journal_year                    2002
_chemical_formula_sum            'C22 H10 Cl2 Eu F13 N2 O6'
_chemical_formula_weight         868.18
_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                61.947(10)
_cell_angle_beta                 62.929(10)
_cell_angle_gamma                64.341(10)
_cell_formula_units_Z            2
_cell_length_a                   11.7765(10)
_cell_length_b                   12.1403(10)
_cell_length_c                   12.8391(10)
_cell_measurement_temperature    293(2)
_cell_volume                     1385.3(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.946
_diffrn_measured_fraction_theta_max 0.946
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'omega 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  0.0333
_diffrn_reflns_av_sigmaI/netI    0.0286
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            16996
_diffrn_reflns_theta_full        28.27
_diffrn_reflns_theta_max         28.27
_diffrn_reflns_theta_min         1.89
_diffrn_standards_decay_%        0.01
_exptl_absorpt_coefficient_mu    2.587
_exptl_absorpt_correction_type   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.081
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'irregular block'
_exptl_crystal_F_000             836
_exptl_crystal_size_max          .48
_exptl_crystal_size_mid          .38
_exptl_crystal_size_min          .14
_refine_diff_density_max         1.752
_refine_diff_density_min         -1.085
_refine_diff_density_rms         0.137
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     410
_refine_ls_number_reflns         6498
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.026
_refine_ls_R_factor_all          0.0418
_refine_ls_R_factor_gt           0.0394
_refine_ls_shift/su_max          0.139
_refine_ls_shift/su_mean         0.004
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0565P)^2^+4.0390P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0972
_refine_ls_wR_factor_ref         0.0989
_reflns_number_gt                6095
_reflns_number_total             6498
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b111249j.txt
_cod_data_source_block           00039
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/automatic-downloads/retrospective/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_cell_volume        1385.3(2)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7114339