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_4331933
_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            'C5 Eu12 I14.91 In0.28 N10'
_chemical_formula_weight         3947.52
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_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            6
_cell_length_a                   10.7335(17)
_cell_length_b                   10.7335(17)
_cell_length_c                   72.375(16)
_cell_measurement_temperature    293(2)
_cell_volume                     7221(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.931
_diffrn_measured_fraction_theta_max 0.931
_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  0.0658
_diffrn_reflns_av_sigmaI/netI    0.0376
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       78
_diffrn_reflns_limit_l_min       -77
_diffrn_reflns_number            21926
_diffrn_reflns_theta_full        23.00
_diffrn_reflns_theta_max         23.00
_diffrn_reflns_theta_min         5.68
_exptl_absorpt_coefficient_mu    25.082
_exptl_absorpt_correction_T_max  0.3145
_exptl_absorpt_correction_T_min  0.2727
_exptl_crystal_density_diffrn    5.447
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             9959
_exptl_crystal_size_max          0.07
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.06
_refine_diff_density_max         2.397
_refine_diff_density_min         -2.084
_refine_diff_density_rms         0.307
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.120
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     84
_refine_ls_number_reflns         1250
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.120
_refine_ls_R_factor_all          0.0578
_refine_ls_R_factor_gt           0.0439
_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^)+(0.0371P)^2^+49.8970P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0819
_refine_ls_wR_factor_ref         0.0850
_reflns_number_gt                1014
_reflns_number_total             1250
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic051899usup3.cif
_cod_data_source_block           a207cm
_cod_database_code               4331933