Heterometallic europium disiloxanediolates: synthesis, structural diversity, and photoluminescence properties.
Rausch, Janek; Lorenz, Volker; Hrib, Cristian G.; Frettlöh, Vanessa; Adlung, Matthias; Wickleder, Claudia; Hilfert, Liane; Jones, Peter G.; Edelmann, Frank T.; Inorganic chemistry 53 (2014) 11662–11674; doi:10.1021/ic501837x

data_4341323
_publ_section_title
;
 Heterometallic europium disiloxanediolates: synthesis, structural
 diversity, and photoluminescence properties.
;
_journal_issue                   21
_journal_name_full               'Inorganic chemistry'
_journal_page_first              11662
_journal_page_last               11674
_journal_paper_doi               10.1021/ic501837x
_journal_volume                  53
_journal_year                    2014
_chemical_formula_sum            'C60 H70 Cl2 Eu Li3 O12 Si4'
_chemical_formula_weight         1339.20
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_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                 111.22(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.932(2)
_cell_length_b                   47.919(10)
_cell_length_c                   13.137(3)
_cell_measurement_reflns_used    24749
_cell_measurement_temperature    143(2)
_cell_measurement_theta_max      29.55
_cell_measurement_theta_min      1.87
_cell_volume                     6415(3)
_computing_cell_refinement       'STOE X-AREA'
_computing_data_collection       'STOE X-AREA'
_computing_data_reduction        'STOE X-RED'
_computing_molecular_graphics    'Bruker SHELXTL v4.5'
_computing_publication_material  'Bruker SHELXTL v4.5'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      143(2)
_diffrn_detector_area_resol_mean 6.67
_diffrn_measured_fraction_theta_full 0.883
_diffrn_measured_fraction_theta_max 0.887
_diffrn_measurement_device_type  'STOE IPDS 2T'
_diffrn_measurement_method       'rotation method'
_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  0.0633
_diffrn_reflns_av_sigmaI/netI    0.0733
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       53
_diffrn_reflns_limit_k_min       -59
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            22808
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         1.87
_exptl_absorpt_coefficient_mu    1.193
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.387
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2752
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.28
_refine_diff_density_max         0.619
_refine_diff_density_min         -1.170
_refine_diff_density_rms         0.093
_refine_ls_extinction_coef       0.00039(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   0.908
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     746
_refine_ls_number_reflns         11651
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.908
_refine_ls_R_factor_all          0.0629
_refine_ls_R_factor_gt           0.0377
_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^)+(0.0436P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0789
_refine_ls_wR_factor_ref         0.0852
_reflns_number_gt                8354
_reflns_number_total             11651
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic501837x_si_002.cif
_cod_data_source_block           ip190
_cod_depositor_comments
'Adding full bibliography for 4341323--4341328.cif.'
_cod_original_cell_volume        6415(2)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4341323