Eu(iii) emission band changes caused by peripheral C-H/O hydrogen bonding.
Kuramochi, Yusuke; Nakagawa, Tetsuya; Yokoo, Toshiaki; Yuasa, Junpei; Kawai, Tsuyoshi; Hasegawa, Yasuchika; Dalton transactions (Cambridge, England : 2003) 41 (2012) 6634–6640; doi:10.1039/c2dt30538k

data_7019178
_publ_section_title
;
 Eu(iii) emission band changes caused by peripheral C-H/O hydrogen
 bonding.
;
_journal_issue                   22
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              6634
_journal_page_last               6640
_journal_paper_doi               10.1039/c2dt30538k
_journal_volume                  41
_journal_year                    2012
_chemical_formula_moiety         'C52 H34 Eu F18 O9 P3, 0.5(C6), H2 O'
_chemical_formula_sum            'C55 H36 Eu F18 O10 P3'
_chemical_formula_weight         1443.74
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_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
_cell_angle_alpha                90.0000
_cell_angle_beta                 101.2349(9)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   12.9436(4)
_cell_length_b                   22.1598(4)
_cell_length_c                   23.0298(6)
_cell_measurement_reflns_used    46554
_cell_measurement_temperature    193
_cell_measurement_theta_max      27.45
_cell_measurement_theta_min      3.01
_cell_volume                     6479.0(3)
_computing_cell_refinement       'RAPID AUTO'
_computing_data_collection       'RAPID AUTO (Rigaku, ????)'
_computing_data_reduction        'RAPID AUTO'
_computing_molecular_graphics    'CrystalStructure 4.0'
_computing_publication_material  'CrystalStructure 4.0 (Rigaku, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR92 (Altomare, et al., 1994)'
_diffrn_ambient_temperature      193
_diffrn_detector_area_resol_mean 10.000
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0373
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            61646
_diffrn_reflns_theta_full        27.45
_diffrn_reflns_theta_max         27.45
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.142
_exptl_absorpt_correction_T_max  0.892
_exptl_absorpt_correction_T_min  0.542
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Rigaku, 1995)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.480
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2864.00
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.100
_refine_diff_density_max         1.410
_refine_diff_density_min         -0.790
_refine_ls_extinction_coef       0.00013(12)
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    mixed
_refine_ls_number_parameters     937
_refine_ls_number_reflns         14741
_refine_ls_number_restraints     11
_refine_ls_R_factor_gt           0.0395
_refine_ls_shift/su_max          0.003
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0851P)^2^+3.8157P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1318
_reflns_number_gt                12417
_reflns_number_total             14741
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            c2dt30538k.txt
_cod_data_source_block           crystal1
_cod_database_code               7019178