Entrapment of [Ru(bpy)(3)](2+) in the anionic metal-organic framework: Novel photoluminescence behavior exhibiting dual emission at room temperature.
Sen, Rupam; Koner, Subratanath; Bhattacharjee, Ashis; Kusz, Joachim; Miyashita, Yoshitaro; Okamoto, Ken-Ichi; Dalton transactions (Cambridge, England : 2003) 40 (2011) 6952–6960; doi:10.1039/c0dt01647k

data_7015986
_publ_section_title
;
 Entrapment of [Ru(bpy)(3)](2+) in the anionic metal-organic framework:
 Novel photoluminescence behavior exhibiting dual emission at room
 temperature.
;
_journal_issue                   26
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              6952
_journal_page_last               6960
_journal_paper_doi               10.1039/c0dt01647k
_journal_volume                  40
_journal_year                    2011
_chemical_absolute_configuration unk
_chemical_formula_moiety         'C42 H24 Fe2 N24 Ru '
_chemical_formula_sum            'C42 H24 Fe2 N24 Ru'
_chemical_formula_weight         1077.58
_space_group_IT_number           43
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      43
_symmetry_space_group_name_Hall  'F 2 -2d'
_symmetry_space_group_name_H-M   'F d d 2'
_audit_creation_date             2008-03-30
_audit_creation_method           'by CrystalStructure 3.8'
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_formula_units_Z            8
_cell_length_a                   29.5088(11)
_cell_length_b                   12.3701(5)
_cell_length_c                   23.6337(11)
_cell_measurement_reflns_used    7295
_cell_measurement_temperature    296.1(1)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_cell_volume                     8626.9(6)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR2004
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.019
_diffrn_reflns_limit_h_max       38
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            17095
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    1.074
_exptl_absorpt_correction_T_max  0.851
_exptl_absorpt_correction_T_min  0.721
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.659
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             4320.00
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.83
_refine_diff_density_min         -0.75
_refine_ls_abs_structure_details
'Flack, H. D. (1983), Acta Cryst. A39, 876-881. 2344 Friedel Pairs'
_refine_ls_abs_structure_Flack   -0.000(16)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.003
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     326
_refine_ls_number_reflns         4559
_refine_ls_R_factor_gt           0.0251
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0002Fo^2^ + 1.0000\s(Fo^2^)]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0629
_reflns_number_gt                4550
_reflns_number_total             4880
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            c0dt01647k.txt
_cod_data_source_block           '__R-50'
_cod_original_formula_sum        'C42 H24 Fe2 N24 Ru '
_cod_database_code               7015986