From arm-shaped layers to a new type of polythreaded array: a two fold interpenetrated three-dimensional network with a rutile topologyElectronic Supplementary Information (ESI) available: details of the synthesis and solid state emission spectra of 1. See http://www.rsc.org/suppdata/cc/b4/b405016a/
Qin, Chao; Wang, Xinlong; Carlucci, Lucia; Tong, Mingliang; Wang, Enbo; Hu, Changwen; Xu, Lin; Chemical Communications  (2004) 1876–1877; doi:10.1039/b405016a

data_7110324
_publ_section_title
;
 From arm-shaped layers to a new type of polythreaded array: a two fold
 interpenetrated three-dimensional network with a rutile
 topologyElectronic Supplementary Information (ESI) available: details of
 the synthesis and solid state emission spectra of 1. See
 http://www.rsc.org/suppdata/cc/b4/b405016a/
;
_journal_issue                   16
_journal_name_full               'Chemical Communications'
_journal_page_first              1876
_journal_page_last               1877
_journal_paper_doi               10.1039/b405016a
_journal_year                    2004
_chemical_formula_sum            'C19 H12 N2 O6 Zn'
_chemical_formula_weight         429.68
_chemical_name_systematic
;
?
;
_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                 100.02(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.869(2)
_cell_length_b                   16.781(3)
_cell_length_c                   11.299(2)
_cell_measurement_reflns_used    7284
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      2.42
_cell_volume                     1842.7(6)
_computing_cell_refinement       'RAPID AUTO'
_computing_data_collection       'RAPID AUTO'
_computing_data_reduction        'RAPID AUTO'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      273(2)
_diffrn_detector_area_resol_mean 0.01
_diffrn_measured_fraction_theta_full 0.975
_diffrn_measured_fraction_theta_max 0.975
_diffrn_measurement_device_type  'Rigaku RAXIS RAPID IP'
_diffrn_measurement_method       Oscillation
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Rotation anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0541
_diffrn_reflns_av_sigmaI/netI    0.0714
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            7284
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         2.42
_exptl_absorpt_coefficient_mu    1.372
_exptl_absorpt_correction_T_max  0.718
_exptl_absorpt_correction_T_min  0.615
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR by T.Higashi    8 March, 1995'
_exptl_crystal_colour            block
_exptl_crystal_density_diffrn    1.549
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       colorless
_exptl_crystal_F_000             872
_exptl_crystal_size_max          0.362
_exptl_crystal_size_mid          0.337
_exptl_crystal_size_min          0.241
_refine_diff_density_max         0.988
_refine_diff_density_min         -0.696
_refine_diff_density_rms         0.104
_refine_ls_extinction_coef       0.0034(9)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     258
_refine_ls_number_reflns         4122
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.030
_refine_ls_R_factor_all          0.1148
_refine_ls_R_factor_gt           0.0658
_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^)+(0.0920P)^2^+1.6347P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1569
_refine_ls_wR_factor_ref         0.1788
_reflns_number_gt                2484
_reflns_number_total             4122
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b405016asup1.cif
_cod_data_source_block           zn
_cod_original_cell_volume        1842.8(6)
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               7110324