One-, Two-, and Three-Dimensional Arrays of Eu3±4,4,5,5,5-pentafluoro-1-(naphthalen-2-yl)pentane-1,3-dione complexes: Synthesis, Crystal Structure and Photophysical Properties
D. B. Ambili Raj; S. Biju; M. L. P. Reddy; Inorganic Chemistry 47 (2008) 8091–8100; doi:10.1021/ic8004757

data_4305476
_publ_section_title
;
One-, Two-, and Three-Dimensional Arrays of
Eu3+-4,4,5,5,5-pentafluoro-1-(naphthalen-2-yl)pentane-1,3-dione complexes:
Synthesis, Crystal Structure and Photophysical Properties
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              8091
_journal_page_last               8100
_journal_paper_doi               10.1021/ic8004757
_journal_volume                  47
_journal_year                    2008
_chemical_formula_sum            'C57 H36 Cl3 Eu F15 N2 O6.5'
_chemical_formula_weight         1396.19
_chemical_name_systematic
;
 ?
;
_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           SHELXL-97
_cell_angle_alpha                96.238(19)
_cell_angle_beta                 93.336(18)
_cell_angle_gamma                96.523(19)
_cell_formula_units_Z            2
_cell_length_a                   10.338(4)
_cell_length_b                   14.784(6)
_cell_length_c                   19.431(7)
_cell_measurement_reflns_used    7906
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.1
_cell_measurement_theta_min      2.4
_cell_volume                     2926(2)
_computing_cell_refinement       'APEX2/SAINT (Bruker, 2004)'
_computing_data_collection       'APEX2 (Bruker, 2004)'
_computing_data_reduction        'SAINT/XPREP (Bruker, 2004)'
_computing_molecular_graphics    'ORTEP 32 (Farrugia, 1997)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR92 (Altomare etal., 1993)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker axs (Kappa apex2)'
_diffrn_measurement_method       '\w and \f 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  0.0273
_diffrn_reflns_av_sigmaI/netI    0.0195
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            51395
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.06
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    1.308
_exptl_absorpt_correction_T_max  0.7922
_exptl_absorpt_correction_T_min  0.7211
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Blessing, 1995)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.585
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             1386
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.016
_refine_diff_density_min         -0.613
_refine_diff_density_rms         0.122
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.111
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     825
_refine_ls_number_reflns         10300
_refine_ls_number_restraints     32
_refine_ls_restrained_S_all      1.122
_refine_ls_R_factor_all          0.0520
_refine_ls_R_factor_gt           0.0436
_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^)+(0.0846P)^2^+4.0841P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1252
_refine_ls_wR_factor_ref         0.1400
_reflns_number_gt                9173
_reflns_number_total             10300
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic8004757_si_002.cif
_cod_data_source_block           bijubpy1
_cod_original_cell_volume        2925.7(18)
_cod_original_formula_sum        'C57 H36 Cl3 Eu F15 N2 O6.50'
_cod_database_code               4305476