Alkyl chain elongation and acyl group effects in a series of Eu/Tb complexes with hexadentate π-electronic skeletons and their enhanced luminescence in solutions.
Ogata, Shuhei; Goto, Naoto; Sakurai, Shoya; Ishii, Ayumi; Hatanaka, Miho; Yoshihara, Koushi; Tanabe, Ryota; Kayano, Kyosuke; Magaribuchi, Ryo; Goto, Kenta; Hasegawa, Miki; Dalton transactions (Cambridge, England : 2003) 47 (2018) 7135–7143; doi:10.1039/c7dt04899h

data_7046327
_publ_section_title
;
 Alkyl chain elongation and acyl group effects in a series of Eu/Tb
 complexes with hexadentate \p-electronic skeletons and their enhanced
 luminescence in solutions.
;
_journal_issue                   21
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              7135
_journal_page_last               7143
_journal_paper_doi               10.1039/c7dt04899h
_journal_volume                  47
_journal_year                    2018
_chemical_formula_sum            'C27 H28.5 Eu N10.5 O9'
_chemical_formula_weight         796.06
_chemical_name_common            EuLH
_chemical_name_systematic        Eu-bpy2-en-H2
_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
;
2017-12-26 deposited with the CCDC.
2018-04-26 downloaded from the CCDC.
;
_cell_angle_alpha                106.1440(10)
_cell_angle_beta                 91.3930(10)
_cell_angle_gamma                105.6950(10)
_cell_formula_units_Z            4
_cell_length_a                   11.3057(14)
_cell_length_b                   15.635(2)
_cell_length_c                   19.340(2)
_cell_measurement_reflns_used    9916
_cell_measurement_temperature    90
_cell_measurement_theta_max      27.53
_cell_measurement_theta_min      2.18
_cell_volume                     3143.0(6)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      90
_diffrn_detector_area_resol_mean 8.333
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.967
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0374
_diffrn_reflns_av_unetI/netI     0.0497
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.967
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            35575
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.967
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.588
_diffrn_reflns_theta_min         1.416
_diffrn_source                   'sealed tube'
_exptl_absorpt_coefficient_mu    2.065
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details
;
SADABS Sheldrick 1996
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.682
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1596
_exptl_crystal_preparation       Luminescent
_exptl_crystal_size_max          0.162
_exptl_crystal_size_mid          0.137
_exptl_crystal_size_min          0.063
_exptl_transmission_factor_max   1.368
_exptl_transmission_factor_min   1.135
_refine_diff_density_max         1.071
_refine_diff_density_min         -0.608
_refine_diff_density_rms         0.097
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     859
_refine_ls_number_reflns         14101
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.023
_refine_ls_R_factor_all          0.0446
_refine_ls_R_factor_gt           0.0309
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0237P)^2^+1.2616P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0631
_refine_ls_wR_factor_ref         0.0677
_reflns_Friedel_coverage         0.000
_reflns_number_gt                11411
_reflns_number_total             14101
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c7dt04899h2.cif
_cod_data_source_block           shelx
_cod_depositor_comments          'Adding full bibliography for 7046327.cif.'
_cod_original_cell_volume        3143.0(7)
_cod_original_formula_sum        'C27 H28.50 Eu N10.50 O9'
_cod_database_code               7046327
_shelx_estimated_absorpt_t_min   0.731
_shelx_estimated_absorpt_t_max   0.881
_shelxl_version_number           2013-4
_shelx_res_checksum              4882