One unprecedented 1-D europium thioindate-thioantimonate based on heterometallic mixed nitro-thioclusters with luminescent properties
Jian Zhou; Litao An; Xing Liu; Huahong Zou; Feilong Hu; Chaomin Liu; Chem.Commun. 48 (2012) 2537–; doi:10.1039/c2cc17899k

data_7107427
_publ_section_title
;
 One unprecedented 1-D europium thioindate-thioantimonate based on
 heterometallic mixed nitro-thioclusters with luminescent properties
;
_journal_name_full               Chem.Commun.
_journal_page_first              2537
_journal_paper_doi               10.1039/c2cc17899k
_journal_volume                  48
_journal_year                    2012
_chemical_formula_moiety
'4(C8 H23 Eu In4 N5 S9),4(C16 H48 Eu2 N10 O S3 Sb),C8 H23 N5'
_chemical_formula_sum            'C104 H307 Eu12 In16 N65 O4 S48 Sb4'
_chemical_formula_weight         8219.53
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 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                 111.35(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            1
_cell_length_a                   15.167(3)
_cell_length_b                   28.929(6)
_cell_length_c                   15.709(3)
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.60
_cell_measurement_theta_min      1.41
_cell_volume                     6420(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.970
_diffrn_measured_fraction_theta_max 0.970
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       \w
_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  0.11
_diffrn_reflns_av_sigmaI/netI    0.4818
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       35
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            39589
_diffrn_reflns_theta_full        25.60
_diffrn_reflns_theta_max         25.60
_diffrn_reflns_theta_min         1.41
_exptl_absorpt_coefficient_mu    5.135
_exptl_absorpt_correction_T_max  0.6841
_exptl_absorpt_correction_T_min  0.5549
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.124
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3922
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.08
_refine_diff_density_max         2.123
_refine_diff_density_min         -1.657
_refine_diff_density_rms         0.312
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.830
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     604
_refine_ls_number_reflns         11700
_refine_ls_number_restraints     1307
_refine_ls_restrained_S_all      0.807
_refine_ls_R_factor_all          0.1464
_refine_ls_R_factor_gt           0.0843
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1641
_refine_ls_wR_factor_ref         0.1718
_reflns_number_gt                3621
_reflns_number_total             11700
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2cc17899k.txt
_cod_data_source_block           x
_cod_original_cell_volume        6420(2)
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               7107427