4,4,5,5,5-Pentafluoro-1-(9H-fluoren-2-yl)-1,3-pentanedione complex of Eu3+ with 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene oxide as a promising light-conversion molecular device
Ambili Raj, D. B.; Biju, Silvanose; Reddy, M. L. P.; Dalton Transactions  (2009) 7519–7528; doi:10.1039/b907031a

data_7002208
_publ_section_title
;
 4,4,5,5,5-Pentafluoro-1-(9H-fluoren-2-yl)-1,3-pentanedione complex of
 Eu3+ with 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene oxide as a
 promising light-conversion molecular device
;
_journal_issue                   36
_journal_name_full               'Dalton Transactions'
_journal_page_first              7519
_journal_page_last               7528
_journal_paper_doi               10.1039/b907031a
_journal_year                    2009
_chemical_formula_moiety         '( C93 H62 Eu F15 O9 P2) . 2.5( C H Cl3)'
_chemical_formula_sum            'C95.5 H64.5 Cl7.5 Eu F15 O9 P2'
_chemical_formula_weight         2120.75
_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                86.1900(10)
_cell_angle_beta                 76.4390(10)
_cell_angle_gamma                66.5010(10)
_cell_formula_units_Z            2
_cell_length_a                   14.3330(3)
_cell_length_b                   15.3440(3)
_cell_length_c                   23.9480(5)
_cell_measurement_reflns_used    9723
_cell_measurement_temperature    257(2)
_cell_measurement_theta_max      26.0
_cell_measurement_theta_min      2.5
_cell_volume                     4693.17(17)
_computing_cell_refinement       'APEX2/SAINT (Bruker, 2004)'
_computing_data_collection       'APEX2 (Bruker, 2004)'
_computing_data_reduction        'SAINT/XPREP (Bruker, 2004)'
_computing_molecular_graphics
'ORTEP3 (Farrugia, 1997) and Mercury (Bruno et al., 2002)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR92 (Altornare et al., 1993)'
_diffrn_ambient_temperature      257(2)
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'Bruker axs kappa apex2 CCD Diffractometer'
_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  0.0364
_diffrn_reflns_av_sigmaI/netI    0.0362
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            87492
_diffrn_reflns_theta_full        26.31
_diffrn_reflns_theta_max         26.31
_diffrn_reflns_theta_min         1.59
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    1.002
_exptl_absorpt_correction_T_max  0.86
_exptl_absorpt_correction_T_min  0.72
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS(Bruker, 1999)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.501
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2130
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_refine_diff_density_max         1.563
_refine_diff_density_min         -0.984
_refine_diff_density_rms         0.121
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1177
_refine_ls_number_reflns         18809
_refine_ls_number_restraints     14
_refine_ls_restrained_S_all      1.061
_refine_ls_R_factor_all          0.0729
_refine_ls_R_factor_gt           0.0586
_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^)+(0.1074P)^2^+7.7981P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1673
_refine_ls_wR_factor_ref         0.1795
_reflns_number_gt                15598
_reflns_number_total             18809
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b907031a.txt
_cod_data_source_block           rrlbijueuxpo
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C95.50 H64.50 Cl7.50 Eu F15 O9 P2'
_cod_database_code               7002208