Tunable Luminescent Lanthanide Coordination Polymers Based on Reversible Solid-State Ion-Exchange Monitored by Ion-Dependent Photoinduced Emission Spectra
Peng Wang; Jian-Ping Ma; Yu-Bin Dong; Ru-Qi Huang; Journal of the American Chemical Society 129 (2007) 10620–10621; doi:10.1021/ja072442h

data_4109840
_publ_section_title
;
 Tunable Luminescent Lanthanide Coordination Polymers Based on Reversible
 Solid-State Ion-Exchange Monitored by Ion-Dependent Photoinduced Emission
 Spectra
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              10620
_journal_page_last               10621
_journal_paper_doi               10.1021/ja072442h
_journal_volume                  129
_journal_year                    2007
_chemical_formula_sum            'C128 H106 Gd4 Mn2 N32 O45'
_chemical_formula_weight         3551.33
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                79.7440(10)
_cell_angle_beta                 86.1500(10)
_cell_angle_gamma                89.9920(10)
_cell_formula_units_Z            1
_cell_length_a                   11.1220(11)
_cell_length_b                   11.1502(11)
_cell_length_c                   27.107(3)
_cell_measurement_reflns_used    6563
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      27.903
_cell_measurement_theta_min      2.469
_cell_volume                     3300.2(6)
_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      298(2)
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_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  0.0228
_diffrn_reflns_av_sigmaI/netI    0.0502
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            16846
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         0.77
_exptl_absorpt_coefficient_mu    2.269
_exptl_absorpt_correction_T_max  0.8573
_exptl_absorpt_correction_T_min  0.6597
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.787
_exptl_crystal_description       plan
_exptl_crystal_F_000             1764
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.07
_refine_diff_density_max         1.583
_refine_diff_density_min         -0.550
_refine_diff_density_rms         0.124
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     949
_refine_ls_number_reflns         11481
_refine_ls_number_restraints     18
_refine_ls_restrained_S_all      1.018
_refine_ls_R_factor_all          0.0465
_refine_ls_R_factor_gt           0.0380
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0569P)^2^+4.6362P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1011
_refine_ls_wR_factor_ref         0.1058
_reflns_number_gt                9731
_reflns_number_total             11481
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja072442hsi20070407_101435.cif
_cod_data_source_block           2
_cod_original_formula_sum        'C128 H106 Gd4 Mn2 N32 O45 '
_cod_database_code               4109840