Photochromic and photomodulated luminescence properties of two metal‒viologen complexes constructed by a tetracarboxylate-anchored bipyridinium-based ligand
Li, Lin-Ke; Li, Hai-Yang; Li, Ting; Quan, Li-Hong; Xu, Jing; Li, Fu-An; Zang, Shuang-Quan; CrystEngComm 20 (2018) 6412–; doi:10.1039/C8CE01335G

data_7231481
_publ_section_title
;
 Photochromic and photomodulated luminescence properties of two
 metal--viologen complexes constructed by a tetracarboxylate-anchored
 bipyridinium-based ligand
;
_journal_issue                   41
_journal_name_full               CrystEngComm
_journal_page_first              6412
_journal_paper_doi               10.1039/C8CE01335G
_journal_volume                  20
_journal_year                    2018
_chemical_formula_moiety         '0.09(C32 H26 Eu2 N6 O24)'
_chemical_formula_sum            'C2.91 H2.36 Eu0.18 N0.55 O2.18'
_chemical_formula_weight         107.50
_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
_atom_sites_solution_primary     direct
_audit_creation_date             2017-01-07
_audit_creation_method
;
Olex2 1.2
(compiled 2017.01.04 svn.r3372 for OlexSys, GUI svn.r5289)
;
_audit_update_record
;
2018-07-31 deposited with the CCDC.
2018-09-03 downloaded from the CCDC.
;
_cell_angle_alpha                94.619(6)
_cell_angle_beta                 95.775(5)
_cell_angle_gamma                94.636(5)
_cell_formula_units_Z            11
_cell_length_a                   8.0365(4)
_cell_length_b                   9.9090(7)
_cell_length_c                   12.1201(8)
_cell_measurement_reflns_used    4598
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.566
_cell_measurement_theta_min      3.994
_cell_volume                     953.29(10)
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'XS (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'multiwire proportional'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1168
_diffrn_reflns_av_unetI/netI     0.1014
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            11611
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         26.368
_diffrn_reflns_theta_min         3.393
_exptl_absorpt_coefficient_mu    3.365
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.64425
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_density_diffrn    2.060
_exptl_crystal_description       block
_exptl_crystal_F_000             578
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.18
_refine_diff_density_max         1.699
_refine_diff_density_min         -3.430
_refine_diff_density_rms         0.493
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.093
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     289
_refine_ls_number_reflns         3884
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.093
_refine_ls_R_factor_all          0.0895
_refine_ls_R_factor_gt           0.0689
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1235P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1663
_refine_ls_wR_factor_ref         0.2144
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3080
_reflns_number_total             3884
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8ce01335g2.cif
_cod_data_source_block           a
_cod_depositor_comments
'Adding full bibliography for 7231480--7231481.cif.'
_cod_database_code               7231481
_shelx_shelxl_version_number     2016/4
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C9(H9A,H9B), C16(H16A,H16B), C15(H15A,H15B)
2.b Aromatic/amide H refined with riding coordinates:
 C7(H7), C3(H3), C5(H5), C10(H10), C11(H11), C13(H13), C14(H14)
;
_shelx_res_checksum              92464
_olex2_submission_special_instructions 'No special instructions were received'