Oxidation of europium with ammonium perfluorocarboxylates in liquid ammonia: Pathways to europium(II) carboxylates and hexanuclear europium(III) fluoridocarboxylate complexes
Morsbach, Florian; Klenner, Steffen; Pöttgen, Rainer; Frank, Walter; Dalton Transactions  (2022) –; doi:10.1039/D1DT04204A

data_7709621
_publ_section_title
;
 Oxidation of europium with ammonium perfluorocarboxylates in liquid
 ammonia: Pathways to europium(II) carboxylates and hexanuclear
 europium(III) fluoridocarboxylate complexes
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D1DT04204A
_journal_year                    2022
_chemical_formula_moiety         'C10 H14 Eu F6 N2 O6'
_chemical_formula_sum            'C10 H14 Eu F6 N2 O6'
_chemical_formula_weight         524.20
_chemical_name_systematic
catena-poly[europium(II)bis(\m~2~-N,N-dimethylformamide)bis(\m~2~-trifluoroacetato)]
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2021-12-02 deposited with the CCDC.	2022-02-25 downloaded from the CCDC.
;
_cell_angle_alpha                98.367(5)
_cell_angle_beta                 99.729(5)
_cell_angle_gamma                101.090(6)
_cell_formula_units_Z            2
_cell_length_a                   8.1855(7)
_cell_length_b                   9.5209(8)
_cell_length_c                   11.2944(10)
_cell_measurement_reflns_used    2651
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      25.04
_cell_measurement_theta_min      3.01
_cell_volume                     836.81(13)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'DIAMOND 4.0 (Crystal Impact, 2012)'
_computing_publication_material  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      120(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0939
_diffrn_reflns_av_unetI/netI     0.0962
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            10288
_diffrn_reflns_point_group_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_theta_full        25.125
_diffrn_reflns_theta_max         25.125
_diffrn_reflns_theta_min         1.861
_diffrn_source                   'sealed tube'
_exptl_absorpt_coefficient_mu    3.840
_exptl_absorpt_correction_T_max  0.928
_exptl_absorpt_correction_T_min  0.631
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Bruker SADABS-2014/5'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.080
_exptl_crystal_description       needle
_exptl_crystal_F_000             506
_exptl_crystal_size_max          0.084
_exptl_crystal_size_mid          0.069
_exptl_crystal_size_min          0.022
_refine_diff_density_max         1.427
_refine_diff_density_min         -1.454
_refine_diff_density_rms         0.190
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     261
_refine_ls_number_reflns         2968
_refine_ls_number_restraints     50
_refine_ls_restrained_S_all      1.037
_refine_ls_R_factor_all          0.0868
_refine_ls_R_factor_gt           0.0453
_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^)+(0.0413P)^2^+0.4333P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0902
_refine_ls_wR_factor_ref         0.1032
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1958
_reflns_number_total             2968
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d1dt04204a2.cif
_cod_data_source_block           compd_1
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_shelx_estimated_absorpt_t_min   0.739
_shelx_estimated_absorpt_t_max   0.920
_shelx_res_checksum              8222