A new approach to prepare nanoscopic rare earth metal fluorides: the fluorolytic sol-gel synthesis of ytterbium fluoride
L. Schmidt; A. Dimitrov; E. Kemnitz; Chem.Commun. 50 (2014) 6613–; doi:10.1039/C4CC02626H

data_7113981
_publ_section_title
;
 A new approach to prepare nanoscopic rare earth metal fluorides: the
 fluorolytic sol-gel synthesis of ytterbium fluoride
;
_journal_name_full               Chem.Commun.
_journal_page_first              6613
_journal_paper_doi               10.1039/C4CC02626H
_journal_volume                  50
_journal_year                    2014
_chemical_formula_moiety         'C6 H5 F6 O7 Yb, C2 H4 O2'
_chemical_formula_sum            'C8 H9 F6 O9 Yb'
_chemical_formula_weight         536.19
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2013
_cell_angle_alpha                86.50(3)
_cell_angle_beta                 79.25(3)
_cell_angle_gamma                76.36(3)
_cell_formula_units_Z            2
_cell_length_a                   7.940(2)
_cell_length_b                   9.659(2)
_cell_length_c                   10.774(2)
_cell_measurement_reflns_used    9876
_cell_measurement_temperature    100(2)
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_cell_measurement_theta_min      2.73
_cell_volume                     788.8(3)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick 2013)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.952
_diffrn_measurement_device_type  'Bruker D8 VENTURE'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0363
_diffrn_reflns_av_unetI/netI     0.0275
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.952
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            13147
_diffrn_reflns_point_group_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.952
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         25.524
_diffrn_reflns_theta_min         2.682
_exptl_absorpt_coefficient_mu    6.035
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.3054
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Bruker APEX2'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.258
_exptl_crystal_description       rod
_exptl_crystal_F_000             506
_exptl_crystal_size_max          0.240
_exptl_crystal_size_mid          0.030
_exptl_crystal_size_min          0.020
_refine_diff_density_max         2.423
_refine_diff_density_min         -1.181
_refine_diff_density_rms         0.198
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.156
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     242
_refine_ls_number_reflns         2804
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.156
_refine_ls_R_factor_all          0.0303
_refine_ls_R_factor_gt           0.0296
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0062P)^2^+12.6584P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0806
_refine_ls_wR_factor_ref         0.0810
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2744
_reflns_number_total             2804
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c4cc02626h2.cif
_cod_data_source_block           YbTFA
_cod_database_code               7113981
_shelx_estimated_absorpt_t_min   0.325
_shelx_estimated_absorpt_t_max   0.889
_shelxl_version_number           2013-4
_shelx_res_checksum              31501