Stabilizing divalent europium in aqueous solution using size-discrimination and electrostatic effects.
Regueiro-Figueroa, Martín; Barriada, José Luis; Pallier, Agnès; Esteban-Gómez, David; Blas, Andrés de; Rodríguez-Blas, Teresa; Tóth, Éva; Platas-Iglesias, Carlos; Inorganic chemistry 54 (2015) 4940–4952; doi:10.1021/acs.inorgchem.5b00548

data_4342971
_publ_section_title
;
 Stabilizing divalent europium in aqueous solution using
 size-discrimination and electrostatic effects.
;
_journal_issue                   10
_journal_name_full               'Inorganic chemistry'
_journal_page_first              4940
_journal_page_last               4952
_journal_paper_doi               10.1021/acs.inorgchem.5b00548
_journal_volume                  54
_journal_year                    2015
_chemical_formula_moiety
'C26 H38 La N5 O8, 1.441(F6 P), 0.559(C F3 O3 S), 2(H2 O)'
_chemical_formula_sum            'C26.56 H42 F10.32 La N5 O11.68 P1.44 S0.56'
_chemical_formula_weight         1015.79
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
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_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.4.3
_audit_creation_date             2015-02-23T10:17:23-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 97.551(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   22.0177(12)
_cell_length_b                   16.2990(8)
_cell_length_c                   10.5443(5)
_cell_measurement_reflns_used    1969
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      26.16
_cell_measurement_theta_min      2.4
_cell_measurement_wavelength     0.71073
_cell_volume                     3751.2(3)
_computing_cell_refinement       'BRUKER APEX2'
_computing_data_collection       'BRUKER APEX2'
_computing_data_reduction        XPrep
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 2012)'
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_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXS-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 1
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker Kappa APEXII CCD'
_diffrn_measurement_method       'omega and phi scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0712
_diffrn_reflns_Laue_measured_fraction_full 1
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            53699
_diffrn_reflns_point_group_measured_fraction_full 1
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
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_exptl_absorpt_coefficient_mu    1.346
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.931
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_exptl_absorpt_process_details
;
SADABS Version 2008/1 (Sheldrick, Bruker AXS Inc.)
;
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.797
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2040.9
_exptl_crystal_size_max          0.09
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.798
_refine_diff_density_min         -0.796
_refine_diff_density_rms         0.101
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    mixed
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_refine_ls_number_parameters     657
_refine_ls_number_reflns         7666
_refine_ls_number_restraints     137
_refine_ls_restrained_S_all      1.025
_refine_ls_R_factor_all          0.0599
_refine_ls_R_factor_gt           0.0345
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0151P)^2^+4.7797P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0564
_refine_ls_wR_factor_ref         0.0626
_reflns_number_gt                5863
_reflns_number_total             7666
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ic5b00548_si_002.cif
_cod_data_source_block           shelx
_cod_depositor_comments
'Adding full bibliography for 4342970--4342972.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4342971
_shelx_estimated_absorpt_t_min   0.888
_shelx_estimated_absorpt_t_max   0.924