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_7002207
_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_sum            'C93 H64 Eu F15 O10 P2'
_chemical_formula_weight         1840.34
_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                82.9260(10)
_cell_angle_beta                 74.1250(10)
_cell_angle_gamma                83.8700(10)
_cell_formula_units_Z            2
_cell_length_a                   15.1515(4)
_cell_length_b                   16.0282(4)
_cell_length_c                   17.9664(5)
_cell_measurement_reflns_used    8891
_cell_measurement_temperature    257(2)
_cell_measurement_theta_max      20.5
_cell_measurement_theta_min      2.1
_cell_volume                     4152.58(19)
_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 0.997
_diffrn_measured_fraction_theta_max 0.997
_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  0.0351
_diffrn_reflns_av_sigmaI/netI    0.0245
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            52601
_diffrn_reflns_theta_full        20.97
_diffrn_reflns_theta_max         20.97
_diffrn_reflns_theta_min         1.18
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    0.887
_exptl_absorpt_correction_T_max  0.8754
_exptl_absorpt_correction_T_min  0.8122
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS(Bruker, 1999)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.472
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1860
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.478
_refine_diff_density_min         -0.676
_refine_diff_density_rms         0.203
_refine_ls_extinction_coef       0.0073(8)
_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   1.102
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1083
_refine_ls_number_reflns         8841
_refine_ls_number_restraints     124
_refine_ls_restrained_S_all      1.121
_refine_ls_R_factor_all          0.0848
_refine_ls_R_factor_gt           0.0679
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1409P)^2^+9.2375P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1844
_refine_ls_wR_factor_ref         0.2131
_reflns_number_gt                7451
_reflns_number_total             8841
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b907031a.txt
_cod_data_source_block           eudpepo
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7002207