Dual emission from stoichiometrically mixed lanthanide complexes of 3-phenyl-4-benzoyl-5-isoxazolonate and 2,2′-bipyridine
Biju, Silvanose; Ambili Raj, D. B.; Reddy, M. L. P.; Jayasankar, C. K.; Cowley, Alan H.; Findlater, Michael; Journal of Materials Chemistry 19 (2009) 1425–; doi:10.1039/b809563a

data_7200192
_publ_section_title
;
 Dual emission from stoichiometrically mixed lanthanide complexes of
 3-phenyl-4-benzoyl-5-isoxazolonate and 2,2&#x2032;-bipyridine
;
_journal_issue                   10
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              1425
_journal_paper_doi               10.1039/b809563a
_journal_volume                  19
_journal_year                    2009
_chemical_formula_moiety         'C59 H42 Cl2 Eu N5 O10'
_chemical_formula_sum            'C59 H42 Cl2 Eu N5 O10'
_chemical_formula_weight         1203.84
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method
;
manual editing of the .cif file
created by SHELXTL Ver. 6.10
;
_cell_angle_alpha                81.66(3)
_cell_angle_beta                 73.32(3)
_cell_angle_gamma                89.26(3)
_cell_formula_units_Z            2
_cell_length_a                   12.839(3)
_cell_length_b                   13.863(3)
_cell_length_c                   16.379(3)
_cell_measurement_temperature    153(2)
_cell_volume                     2761.8(11)
_computing_cell_refinement       'Collect software, Nonius B.V. 1998'
_computing_data_collection       'Collect software, Nonius B.V. 1998'
_computing_data_reduction
;
DENZO and Scalepack (Otwinoski and Minor, 1997)
;
_computing_molecular_graphics    'XP SHELXTL/PC, Siemens Analytical'
_computing_structure_refinement  'XL SHELXTL/PC, Siemens Analytical'
_computing_structure_solution
;
SIR97 - Altomare A., Burla M.C., Camalli M., Cascarano G.L., Giacovazzo C.,
Guagliardi A., Moliterni A.G.G., Polidori G.,Spagna R.
;
_diffrn_ambient_temperature      153(2)
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'Nonius Kappa CCD'
_diffrn_measurement_method       \w-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  0.0335
_diffrn_reflns_av_sigmaI/netI    0.0886
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            18115
_diffrn_reflns_theta_full        27.42
_diffrn_reflns_theta_max         27.42
_diffrn_reflns_theta_min         1.49
_exptl_absorpt_coefficient_mu    1.295
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.448
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1216
_exptl_crystal_size_max          .30
_exptl_crystal_size_mid          .20
_exptl_crystal_size_min          .15
_refine_diff_density_max         2.254
_refine_diff_density_min         -1.285
_refine_diff_density_rms         0.197
_refine_ls_extinction_method     none
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_refine_ls_number_parameters     667
_refine_ls_number_reflns         12370
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.108
_refine_ls_R_factor_all          0.1052
_refine_ls_R_factor_gt           0.0710
_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^)+(0.1060P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1703
_refine_ls_wR_factor_ref         0.1840
_reflns_number_gt                8912
_reflns_number_total             12370
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b809563a.txt
_cod_data_source_block           shelxl
_cod_original_cell_volume        2762.0(10)
_cod_original_sg_symbol_Hall     -p1
_cod_original_sg_symbol_H-M      p-1
_cod_database_code               7200192