Dual-sensitized Eu(III)/Tb(III) complexes exhibiting tunable luminescence emission and their application in cellular-imaging.
Zhang, Cui; Ma, Xiufang; Cen, Peipei; Yang, Huifang; He, Zixin; Guo, Yan; Tian, Danian; Liu, Xiangyu; Dalton transactions (Cambridge, England : 2003) 51 (2022) 3180–3187; doi:10.1039/d2dt00051b

data_7709413
_publ_section_title
;
 Dual-sensitized Eu(III)/Tb(III) complexes exhibiting tunable luminescence
 emission and their application in cellular-imaging.
;
_journal_issue                   8
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3180
_journal_page_last               3187
_journal_paper_doi               10.1039/d2dt00051b
_journal_volume                  51
_journal_year                    2022
_chemical_formula_moiety         'C44 H26 F9 N4 O6 Tb'
_chemical_formula_sum            'C44 H26 F9 N4 O6 Tb'
_chemical_formula_weight         1036.61
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_date             2019-06-07
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2020-09-09 deposited with the CCDC.	2022-01-24 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 93.546(2)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   10.9811(3)
_cell_length_b                   27.1423(8)
_cell_length_c                   27.9453(5)
_cell_measurement_reflns_used    7580
_cell_measurement_temperature    180.01(10)
_cell_measurement_theta_max      70.3760
_cell_measurement_theta_min      4.0210
_cell_volume                     8313.2(4)
_computing_cell_refinement       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      180.01(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.6525
_diffrn_detector_type            Atlas
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  t~exp~   \w     \q     \k     \f   Frames
  1  \w    -92.00  -2.00   1.00   12.50    --  -39.95 125.00 -60.00   90
  2  \w    -63.00  33.00   1.00   12.50    --  -39.95  38.00-120.00   96
  3  \w    143.00 170.00   1.00   35.00    --  105.48  30.00 -90.00   27
  4  \w     77.00 142.00   1.00   35.00    --  105.48  77.00   0.00   65
  5  \w     83.00 178.00   1.00   35.00    --  105.48  45.00 -60.00   95
  6  \w     34.00 120.00   1.00   35.00    --  105.48 -61.00 150.00   86
  7  \w    104.00 178.00   1.00   35.00    --  105.48 125.00-150.00   74
  8  \w     80.00 138.00   1.00   35.00    --  105.48  30.00 -90.00   58
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, Atlas'
_diffrn_measurement_method       '\w scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0866839000
_diffrn_orient_matrix_UB_12      0.0176872000
_diffrn_orient_matrix_UB_13      0.0377779000
_diffrn_orient_matrix_UB_21      0.0995018000
_diffrn_orient_matrix_UB_22      0.0351566000
_diffrn_orient_matrix_UB_23      0.0210077000
_diffrn_orient_matrix_UB_31      -0.0486249000
_diffrn_orient_matrix_UB_32      0.0409018000
_diffrn_orient_matrix_UB_33      -0.0343364000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0397
_diffrn_reflns_av_unetI/netI     0.0568
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            27012
_diffrn_reflns_point_group_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_theta_full        66.596
_diffrn_reflns_theta_max         66.596
_diffrn_reflns_theta_min         3.563
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    9.207
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.67121
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.46 (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_density_diffrn    1.656
_exptl_crystal_description       block
_exptl_crystal_F_000             4096
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.928
_refine_diff_density_min         -1.289
_refine_diff_density_rms         0.087
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1153
_refine_ls_number_reflns         14523
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.036
_refine_ls_R_factor_all          0.1050
_refine_ls_R_factor_gt           0.0657
_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^)+(0.0648P)^2^+29.7773P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1532
_refine_ls_wR_factor_ref         0.1734
_reflns_Friedel_coverage         0.000
_reflns_number_gt                9593
_reflns_number_total             14523
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d2dt00051b2.cif
_cod_data_source_block           tb
_cod_depositor_comments
'Adding full bibliography for 7709413--7709414.cif.'
_cod_database_code               7709413
_shelx_shelxl_version_number     2014/7
_chemical_oxdiff_formula         'C11 H10 N O'
_chemical_oxdiff_usercomment     C4A-C4-MGCL2
_shelx_estimated_absorpt_t_max   0.405
_shelx_estimated_absorpt_t_min   0.288
_reflns_odcompleteness_completeness 98.88
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.49
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C45(H45), C46(H46), C47(H47), C52(H52), C53(H53), C54(H54), C56(H56),
 C57(H57), C59(H59), C60(H60), C61(H61), C62(H62), C63(H63), C66(H66), C69(H69),
  C70(H70), C71(H71), C72(H72), C73(H73), C76(H76), C79(H79), C80(H80),
 C81(H81), C82(H82), C83(H83), C86(H86), C1(H1), C2(H2), C3(H3), C8(H8), C9(H9),
  C10(H10), C13(H13), C14(H14), C15(H15), C16(H16), C17(H17), C18(H18),
 C19(H19), C21(H21), C25(H25), C26(H26), C27(H27), C28(H28), C29(H29), C32(H32),
  C35(H35), C36(H36), C37(H37), C38(H38), C39(H39), C42(H42)
;
_shelx_res_checksum              87413
_shelx_hkl_checksum              91960
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.630
_oxdiff_exptl_absorpt_empirical_full_min 0.743