Crystal Structures of Extended Europium Cyanamide−Carbodiimide Compounds Derived from Different Reaction Conditions: Temperature-Controlled Syntheses of In0.08Eu4(NCN)3I3, Eu8I9(CN)(NCN)3, and In0.28Eu12(NCN)5I14.91
Liao, Wuping; Dronskowski, Richard; Inorganic Chemistry 45 (2006) 3828–3830; doi:10.1021/ic051899u

data_4331932
_publ_section_title
;
 Crystal Structures of Extended Europium Cyanamide&#x2212;Carbodiimide
 Compounds Derived from Different Reaction Conditions:&#x00A0;
 Temperature-Controlled Syntheses of In0.08Eu4(NCN)3I3, Eu8I9(CN)(NCN)3,
 and In0.28Eu12(NCN)5I14.91
;
_journal_issue                   10
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3828
_journal_page_last               3830
_journal_paper_doi               10.1021/ic051899u
_journal_volume                  45
_journal_year                    2006
_chemical_formula_sum            'C4 Eu8 I9 N7'
_chemical_formula_weight         2503.89
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           156
_symmetry_space_group_name_Hall  'P 3 -2"'
_symmetry_space_group_name_H-M   'P 3 m 1'
_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                120.00
_cell_formula_units_Z            1
_cell_length_a                   10.6132(9)
_cell_length_b                   10.6132(9)
_cell_length_c                   7.7832(9)
_cell_measurement_temperature    293(2)
_cell_volume                     759.24(13)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_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  0.0577
_diffrn_reflns_av_sigmaI/netI    0.0427
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            11683
_diffrn_reflns_theta_full        30.83
_diffrn_reflns_theta_max         30.83
_diffrn_reflns_theta_min         2.22
_exptl_absorpt_coefficient_mu    25.414
_exptl_absorpt_correction_T_max  0.3631
_exptl_absorpt_correction_T_min  0.1855
_exptl_crystal_density_diffrn    5.476
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1054
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.05
_refine_diff_density_max         2.649
_refine_diff_density_min         -1.831
_refine_diff_density_rms         0.331
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.03(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.097
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     50
_refine_ls_number_reflns         1770
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.097
_refine_ls_R_factor_all          0.0423
_refine_ls_R_factor_gt           0.0344
_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^)+(0.0105P)^2^+9.6787P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0647
_refine_ls_wR_factor_ref         0.0671
_reflns_number_gt                1587
_reflns_number_total             1770
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic051899usup2.cif
_cod_data_source_block           a206b
_cod_database_code               4331932