Anthracene array-type porous coordination polymer with host-guest charge transfer interactions in excited states.
Tanaka, Daisuke; Horike, Satoshi; Kitagawa, Susumu; Ohba, Masaaki; Hasegawa, Miki; Ozawa, Yoshiki; Toriumi, Koshiro; Chemical communications (Cambridge, England)  (2007) 3142–3144; doi:10.1039/b707947h

data_7102061
_publ_section_title
;
 Anthracene array-type porous coordination polymer with host-guest
 charge transfer interactions in excited states.
;
_journal_issue                   30
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              3142
_journal_page_last               3144
_journal_paper_doi               10.1039/b707947h
_journal_year                    2007
_chemical_formula_sum            'C19 H14 N O4 Zn'
_chemical_formula_weight         385.68
_chemical_name_systematic
;
?
;
_space_group_IT_number           140
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-I 4 2c'
_symmetry_space_group_name_H-M   'I 4/m c m'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   15.3480(11)
_cell_length_b                   15.3480(11)
_cell_length_c                   18.938(3)
_cell_measurement_temperature    150(2)
_cell_volume                     4461.1(9)
_computing_cell_refinement       'Scalepack (Otwinowsky & Minor, 1997)'
_computing_data_collection       'Denzo (Otwinowsky & Minor, 1997)'
_computing_data_reduction        'Scalepack (Otwinowsky & Minor, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 10
_diffrn_measured_fraction_theta_full 0.954
_diffrn_measured_fraction_theta_max 0.954
_diffrn_measurement_device_type  'Low temperature vacuum IP camera'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  Si_111
_diffrn_radiation_source         'SPring-8 BL02B1'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.56076
_diffrn_reflns_av_R_equivalents  0.0170
_diffrn_reflns_av_sigmaI/netI    0.0196
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            3227
_diffrn_reflns_theta_full        23.59
_diffrn_reflns_theta_max         23.59
_diffrn_reflns_theta_min         2.49
_exptl_absorpt_coefficient_mu    0.593
_exptl_absorpt_correction_T_max  0.9710
_exptl_absorpt_correction_T_min  0.9710
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.148
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1576
_exptl_crystal_size_max          0.05
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_refine_diff_density_max         2.375
_refine_diff_density_min         -0.674
_refine_diff_density_rms         0.139
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.193
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     65
_refine_ls_number_reflns         1755
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.193
_refine_ls_R_factor_all          0.0762
_refine_ls_R_factor_gt           0.0636
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0933P)^2^+25.1672P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1995
_refine_ls_wR_factor_ref         0.2128
_reflns_number_gt                1429
_reflns_number_total             1755
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b707947h.txt
_cod_data_source_block           1solvents
_cod_original_sg_symbol_H-M      I4/mcm
_cod_database_code               7102061