Symmetry correlations between crystallographic and photoluminescence study of ternary β-diketone europium(iii) based complexes using 1,10-phenanthroline as the ancillary ligand.
Alexander, Orbett T.; Kroon, Robin E.; Brink, Alice; Visser, Hendrik G.; Dalton transactions (Cambridge, England : 2003) 48 (2019) 16074–16082; doi:10.1039/c9dt02580d

data_7701316
_publ_section_title
;
 Symmetry correlations between crystallographic and photoluminescence
 study of ternary \b-diketone europium(iii) based complexes using
 1,10-phenanthroline as the ancillary ligand.
;
_journal_issue                   42
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              16074
_journal_page_last               16082
_journal_paper_doi               10.1039/c9dt02580d
_journal_volume                  48
_journal_year                    2019
_chemical_formula_moiety         'C66 H46 Eu2 N4 O12'
_chemical_formula_sum            'C66 H46 Eu2 N4 O12'
_chemical_formula_weight         1390.99
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2019-06-18 deposited with the CCDC.    2019-10-04 downloaded from the CCDC.
;
_cell_angle_alpha                105.044(5)
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_cell_measurement_theta_min      4.11
_cell_volume                     1369.2(10)
_computing_cell_refinement       'SAINT v8.34A (Bruker, 2013)'
_computing_data_collection       'BRUKER APEX II'
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_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_diffrn_ambient_temperature      373(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_R_equivalents  0.0453
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_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
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_diffrn_reflns_point_group_measured_fraction_full 0.993
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_diffrn_reflns_theta_full        25.240
_diffrn_reflns_theta_max         28.000
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_exptl_absorpt_coefficient_mu    2.341
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.6762
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.687
_exptl_crystal_description       Cubic
_exptl_crystal_F_000             692
_exptl_crystal_preparation       Luminescent
_exptl_crystal_size_max          0.186
_exptl_crystal_size_mid          0.184
_exptl_crystal_size_min          0.180
_refine_diff_density_max         0.524
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_refine_diff_density_rms         0.087
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
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_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.076
_refine_ls_R_factor_all          0.0214
_refine_ls_R_factor_gt           0.0194
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0155P)^2^+0.8902P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0458
_refine_ls_wR_factor_ref         0.0468
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6213
_reflns_number_total             6595
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           17oot4_0m
_cod_depositor_comments
'Adding full bibliography for 7701315--7701317.cif.'
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