Formation of Complex Three- and One-Dimensional Interpenetrating Networks within Carbodiimide Chemistry: NCN2‒Coordinated Rare-Earth-Metal Tetrahedra and Condensed Alkali-Metal Iodide Octahedra in Two Novel Lithium Europium Carbodiimide Iodides, LiEu2(NCN)I3 and LiEu4(NCN)3I3
Wuping Liao; Chunhua Hu; Reinhard K. Kremer; Richard Dronskowski; Inorganic Chemistry 43 (2004) 5884–5890; doi:10.1021/ic049432r

data_4311610
_publ_section_title
;
 Formation of Complex Three- and One-Dimensional Interpenetrating Networks
 within Carbodiimide Chemistry: NCN2--Coordinated Rare-Earth-Metal
 Tetrahedra and Condensed Alkali-Metal Iodide Octahedra in Two Novel
 Lithium Europium Carbodiimide Iodides, LiEu2(NCN)I3 and LiEu4(NCN)3I3
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5884
_journal_page_last               5890
_journal_paper_doi               10.1021/ic049432r
_journal_volume                  43
_journal_year                    2004
_chemical_formula_sum            'C Eu2 I3 Li N2'
_chemical_formula_weight         731.59
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           227
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            16
_cell_length_a                   15.1427(17)
_cell_length_b                   15.1427(17)
_cell_length_c                   15.1427(17)
_cell_measurement_temperature    293(2)
_cell_volume                     3472.2(7)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0684
_diffrn_reflns_av_sigmaI/netI    0.0141
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            11261
_diffrn_reflns_theta_full        28.30
_diffrn_reflns_theta_max         28.30
_diffrn_reflns_theta_min         2.33
_exptl_absorpt_coefficient_mu    24.903
_exptl_crystal_colour            orange_red
_exptl_crystal_density_diffrn    5.598
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             4928
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.611
_refine_diff_density_min         -1.689
_refine_diff_density_rms         0.315
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.240
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     12
_refine_ls_number_reflns         244
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.240
_refine_ls_R_factor_all          0.0369
_refine_ls_R_factor_gt           0.0322
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0204P)^2^+582.1100P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0778
_refine_ls_wR_factor_ref         0.0798
_reflns_number_gt                221
_reflns_number_total             244
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic049432rsi20040501_020532.cif
_cod_data_source_block           isotropic
_cod_original_sg_symbol_H-M      'F d -3 m'
_cod_database_code               4311610