Excited state intramolecular proton transfer (ESIPT) in six-coordinated zinc(ii)-quinoxaline complexes with ligand hydrogen bonds: their fluorescent properties sensitive to axial positions.
Sakai, Ken-Ichi; Takahashi, Sami; Kobayashi, Ataru; Akutagawa, Tomoyuki; Nakamura, Takayoshi; Dosen, Masaaki; Kato, Masako; Nagashima, Umpei; Dalton transactions (Cambridge, England : 2003) 39 (2010) 1989–1995; doi:10.1039/b919613g

data_7024629
_publ_section_title
;
 Excited state intramolecular proton transfer (ESIPT) in six-coordinated
 zinc(ii)-quinoxaline complexes with ligand hydrogen bonds: their
 fluorescent properties sensitive to axial positions.
;
_journal_issue                   8
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1989
_journal_page_last               1995
_journal_paper_doi               10.1039/b919613g
_journal_volume                  39
_journal_year                    2010
_chemical_formula_moiety         'C22 H22 N4 O8 S2 Zn '
_chemical_formula_sum            'C22 H22 N4 O8 S2 Zn'
_chemical_formula_weight         599.94
_chemical_name_common            zn-hqxc-dmso
_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'
_cell_angle_alpha                90.0000
_cell_angle_beta                 109.6550(12)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            2
_cell_length_a                   9.7056(4)
_cell_length_b                   10.0802(6)
_cell_length_c                   12.8400(5)
_cell_measurement_reflns_used    10503
_cell_measurement_temperature    90
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     1183.00(10)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR2002
_diffrn_ambient_temperature      90
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.021
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            11227
_diffrn_reflns_theta_full        27.46
_diffrn_reflns_theta_max         27.46
_exptl_absorpt_coefficient_mu    1.273
_exptl_absorpt_correction_T_max  0.880
_exptl_absorpt_correction_T_min  0.685
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
Higashi, T. (1995). Program for Absorption Correction.
Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.684
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             616.00
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.85
_refine_diff_density_min         -0.53
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.093
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     183
_refine_ls_number_reflns         2411
_refine_ls_R_factor_gt           0.0326
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
Chebychev polynomial with 3 parameters (Carruthers & Watkin, 1979)
2524.1800 3463.3300 986.0310
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0425
_reflns_number_gt                2403
_reflns_number_total             2675
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b919613g.txt
_cod_data_source_block           '_zn-hqxc-dmso'
_cod_original_cell_volume        1183.00(9)
_cod_original_formula_sum        'C22 H22 N4 O8 S2 Zn '
_cod_database_code               7024629