Ni<sub>2</sub>[LnCl<sub>6</sub>] (Ln = Eu<sup>II</sup>, Ce<sup>II</sup>, Gd<sup>II</sup>): the first Ln<sup>II</sup> compounds stabilized in a pure inorganic lattice.
Baldo, Bianca; Rubio, Francisco; Flores, Erwin; Vega, Andres; Audebrand, Nathalie; Venegas-Yazigi, Diego; Paredes-García, Verónica; Chemical communications (Cambridge, England) 54 (2018) 7531–7534; doi:10.1039/c7cc09921e

data_7121823
_publ_section_title
;
 Ni<sub>2</sub>[LnCl<sub>6</sub>] (Ln = Eu<sup>II</sup>, Ce<sup>II</sup>,
 Gd<sup>II</sup>): the first Ln<sup>II</sup> compounds stabilized in a
 pure inorganic lattice.
;
_journal_issue                   54
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              7531
_journal_page_last               7534
_journal_paper_doi               10.1039/c7cc09921e
_journal_volume                  54
_journal_year                    2018
_chemical_formula_moiety         'Cl12 Gd2, 4(Ni)'
_chemical_formula_sum            'Cl12 Gd2 Ni4'
_chemical_formula_weight         974.66
_space_group_crystal_system      cubic
_space_group_IT_number           225
_space_group_name_Hall           '-F 4 2 3'
_space_group_name_H-M_alt        'F m -3 m'
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2017-12-22 deposited with the CCDC.
2018-06-11 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.1164(4)
_cell_length_b                   10.1164(4)
_cell_length_c                   10.1164(4)
_cell_measurement_reflns_used    425
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      25.66
_cell_measurement_theta_min      3.49
_cell_volume                     1035.33(7)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.959
_diffrn_measured_fraction_theta_max 0.962
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0286
_diffrn_reflns_av_unetI/netI     0.0186
_diffrn_reflns_Laue_measured_fraction_full 0.959
_diffrn_reflns_Laue_measured_fraction_max 0.962
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            750
_diffrn_reflns_point_group_measured_fraction_full 0.959
_diffrn_reflns_point_group_measured_fraction_max 0.962
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.934
_diffrn_reflns_theta_min         3.488
_diffrn_source                   'sealed tube'
_exptl_absorpt_coefficient_mu    11.400
_exptl_absorpt_correction_T_max  0.9466
_exptl_absorpt_correction_T_min  0.7344
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'SADABS, Bruker'
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    3.127
_exptl_crystal_description       block
_exptl_crystal_F_000             888
_exptl_crystal_size_max          0.210
_exptl_crystal_size_mid          0.140
_exptl_crystal_size_min          0.140
_refine_diff_density_max         1.583
_refine_diff_density_min         -0.559
_refine_diff_density_rms         0.247
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.266
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     6
_refine_ls_number_reflns         75
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.266
_refine_ls_R_factor_all          0.0384
_refine_ls_R_factor_gt           0.0375
_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^)+(0.0584P)^2^+14.6306P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1012
_refine_ls_wR_factor_ref         0.1017
_reflns_Friedel_coverage         0.000
_reflns_number_gt                71
_reflns_number_total             75
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c7cc09921e2.cif
_cod_data_source_block           Baldo_et_al_NiGd
_cod_depositor_comments
'Adding full bibliography for 7121821--7121823.cif.'
_cod_original_cell_volume        1035.33(12)
_cod_database_code               7121823
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.161
_shelx_estimated_absorpt_t_max   0.203
_shelx_res_checksum              99615