Intramolecular Excited Energy Transfer from Phenanthroline Fluorophore to Pr(III) in a Metal Complex
Miki Hasegawa; Ayumi Ishii; Tomoko Yamazaki; Shinobu Kishi; Iwao Yamazaki; Chemistry Letters 34 (2005) 1418–; doi:10.1246/cl.2005.1418

data_8000066
_publ_section_title
;
 Intramolecular Excited Energy Transfer from Phenanthroline Fluorophore
 to Pr(III) in a Metal Complex
;
_journal_issue                   10
_journal_name_full               'Chemistry Letters'
_journal_page_first              1418
_journal_paper_doi               10.1246/cl.2005.1418
_journal_volume                  34
_journal_year                    2005
_chemical_formula_sum            'C19.5 H25.5 N7.5 O11.5 Pr'
_chemical_formula_weight         689.88
_chemical_name_common            'phenanthroline Pr complex'
_chemical_name_systematic        '[Pr(phen)(DMF)2(NO3)3]'
_space_group_IT_number           60
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      60
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_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                90.00
_cell_formula_units_Z            8
_cell_length_a                   34.053(2)
_cell_length_b                   9.5678(6)
_cell_length_c                   17.0460(11)
_cell_measurement_reflns_used    6222
_cell_measurement_temperature    300
_cell_measurement_theta_max      28.69
_cell_measurement_theta_min      2.39
_cell_volume                     5553.8(6)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      300
_diffrn_detector_area_resol_mean 8.366
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0373
_diffrn_reflns_av_sigmaI/netI    0.0287
_diffrn_reflns_limit_h_max       44
_diffrn_reflns_limit_h_min       -37
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            37905
_diffrn_reflns_theta_full        27.88
_diffrn_reflns_theta_max         27.88
_diffrn_reflns_theta_min         1.20
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    1.824
_exptl_absorpt_correction_T_max  0.8531
_exptl_absorpt_correction_T_min  0.7007
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details
;
SADABS; Sheldrick, 1996
;
_exptl_crystal_colour            'Pale green'
_exptl_crystal_density_diffrn    1.650
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2768
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.09
_refine_diff_density_max         0.469
_refine_diff_density_min         -0.327
_refine_diff_density_rms         0.065
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     375
_refine_ls_number_reflns         6641
_refine_ls_number_restraints     4
_refine_ls_restrained_S_all      1.035
_refine_ls_R_factor_all          0.0425
_refine_ls_R_factor_gt           0.0284
_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^)+(0.0251P)^2^+2.9032P] where P=(Fo^2^+2Fc^2^)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0607
_refine_ls_wR_factor_ref         0.0660
_reflns_number_gt                5168
_reflns_number_total             6641
_reflns_threshold_expression     >2sigma(I)
_cod_original_sg_symbol_H-M      Pbcn
_cod_original_formula_sum        'C19.50 H25.50 N7.50 O11.50 Pr'
_cod_database_code               8000066