Coordination Polymers Containing 1D Channels as Selective Luminescent Probes
Bin Zhao; Xiao-Yan Chen; Peng Cheng; Dai-Zheng Liao; Shi-Ping Yan; Zong-Hui Jiang; Journal of the American Chemical Society 126 (2004) 15394–15395; doi:10.1021/ja047141b

data_4113226
_publ_section_title
;
 Coordination Polymers Containing 1D Channels as Selective Luminescent
 Probes
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              15394
_journal_page_last               15395
_journal_paper_doi               10.1021/ja047141b
_journal_volume                  126
_journal_year                    2004
_chemical_formula_sum            'C21 H21.5 Mn1.5 N3 O18.25 Tb'
_chemical_formula_weight         849.24
_chemical_name_systematic
; 
 ? 
;
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_atom_sites_solution_hydrogens   geom
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_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            4
_cell_length_a                   15.351(4)
_cell_length_b                   15.351(4)
_cell_length_c                   15.812(8)
_cell_measurement_reflns_used    710
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      23.19
_cell_measurement_theta_min      2.58
_cell_volume                     3227(2)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.956
_diffrn_measured_fraction_theta_max 0.956
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.2016
_diffrn_reflns_av_sigmaI/netI    0.0729
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -16
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_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         2.58
_exptl_absorpt_coefficient_mu    2.831
_exptl_absorpt_correction_T_max  0.6014
_exptl_absorpt_correction_T_min  0.4839
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_density_diffrn    1.748
_exptl_crystal_density_meas      0
_exptl_crystal_F_000             1668
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.985
_refine_diff_density_min         -0.633
_refine_diff_density_rms         0.140
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.146
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     76
_refine_ls_number_reflns         962
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.140
_refine_ls_R_factor_all          0.0717
_refine_ls_R_factor_gt           0.0341
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0575P)^2^+13.7248P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0959
_refine_ls_wR_factor_ref         0.1162
_reflns_number_gt                604
_reflns_number_total             962
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja047141bsi20040515_115653.cif
_cod_data_source_block           020609c
_cod_original_cell_volume        3227.1(19)
_cod_database_code               4113226