2-Anthryltriazolyl-Containing Multidentate Ligands: Zinc-Coordination Mediated Photophysical Processes and Potential in Live-Cell Imaging Applications
Heather A. Michaels; Christopher S. Murphy; Ronald J. Clark; Michael W. Davidson; Lei Zhu; Inorganic Chemistry 49 (2010) 4278–4287; doi:10.1021/ic100145e

data_4315392
_publ_section_title
;
 2-Anthryltriazolyl-Containing Multidentate Ligands: Zinc-Coordination
 Mediated Photophysical Processes and Potential in Live-Cell Imaging
 Applications
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4278
_journal_page_last               4287
_journal_paper_doi               10.1021/ic100145e
_journal_volume                  49
_journal_year                    2010
_chemical_formula_sum            'C35 H33 Cl2 N9 O8 Zn'
_chemical_formula_weight         843.97
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_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
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 93.0810(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.8450(3)
_cell_length_b                   14.5673(4)
_cell_length_c                   19.9601(5)
_cell_measurement_temperature    173(2)
_cell_volume                     3729.47(16)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0199
_diffrn_reflns_av_sigmaI/netI    0.0144
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            41155
_diffrn_reflns_theta_full        27.22
_diffrn_reflns_theta_max         27.22
_diffrn_reflns_theta_min         1.93
_exptl_absorpt_coefficient_mu    0.866
_exptl_absorpt_correction_T_max  0.7935
_exptl_absorpt_correction_T_min  0.7811
_exptl_crystal_density_diffrn    1.503
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1736
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.29
_exptl_crystal_size_min          0.28
_refine_diff_density_max         0.323
_refine_diff_density_min         -0.403
_refine_diff_density_rms         0.046
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     555
_refine_ls_number_reflns         8295
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.037
_refine_ls_R_factor_all          0.0333
_refine_ls_R_factor_gt           0.0291
_refine_ls_shift/su_max          0.026
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0470P)^2^+1.5225P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0824
_refine_ls_wR_factor_ref         0.0854
_reflns_number_gt                7439
_reflns_number_total             8295
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic100145e_si_001.cif
_cod_data_source_block           zhu29
_cod_database_code               4315392