Homoleptic imidazolate frameworks [Sr(1-x)Eu(x)(Im)2]‒hybrid materials with efficient and tuneable luminescence.
Zurawski, Alexander; Mai, Marit; Baumann, Dominik; Feldmann, Claus; Müller-Buschbaum, Klaus; Chemical communications (Cambridge, England) 47 (2011) 496–498; doi:10.1039/c0cc02093a

data_7125589
_publ_section_title
;
 Homoleptic imidazolate frameworks [Sr(1-x)Eu(x)(Im)2]--hybrid materials
 with efficient and tuneable luminescence.
;
_journal_issue                   1
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              496
_journal_page_last               498
_journal_paper_doi               10.1039/c0cc02093a
_journal_volume                  47
_journal_year                    2011
_chemical_formula_moiety         '[Eu(C3H3N2)2(C3H4N2)2]'
_chemical_formula_sum            'C12 H14 Eu N8'
_chemical_formula_weight         422.27
_chemical_name_common            Europium-di-imidazole-di-imidazolate
_chemical_name_systematic
;
Europium-di-imidazole-di-imidazolate
;
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21/n 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                 95.16(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.550(3)
_cell_length_b                   10.559(3)
_cell_length_c                   13.782(5)
_cell_measurement_reflns_used    2582
_cell_measurement_temperature    140(2)
_cell_measurement_theta_max      30.45
_cell_measurement_theta_min      2.30
_cell_volume                     1529.1(8)
_computing_cell_refinement       'STOE SOFTWARE'
_computing_data_collection       'STOE SOFTWARE'
_computing_data_reduction        'STOE SOFTWARE'
_computing_molecular_graphics    POVRAY
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      140(2)
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_device_type  'STOE IPDS'
_diffrn_measurement_method       '1.5 deg phi scan'
_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  0.2760
_diffrn_reflns_av_sigmaI/netI    0.2450
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            9977
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         2.73
_exptl_absorpt_coefficient_mu    4.108
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.834
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             820
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.002
_refine_diff_density_min         -1.457
_refine_diff_density_rms         0.231
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.753
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     170
_refine_ls_number_reflns         2786
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.753
_refine_ls_R_factor_all          0.1599
_refine_ls_R_factor_gt           0.0555
_refine_ls_shift/su_max          0.041
_refine_ls_shift/su_mean         0.003
_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          0.1020
_refine_ls_wR_factor_ref         0.1263
_reflns_number_gt                1150
_reflns_number_total             2786
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c0cc02093a.txt
_cod_data_source_block           EuImImH_3_corr
_cod_original_cell_volume        1529.2(8)
_cod_original_sg_symbol_H-M      P21/n
_cod_database_code               7125589