Toward the rational design of lanthanide coordination polymers: a new topological approach.
Marchal, Claire; Filinchuk, Yaroslav; Imbert, Daniel; Bünzli, Jean-Claude G; Mazzanti, Marinella; Inorganic chemistry 46 (2007) 6242–6244; doi:10.1021/ic7009918

data_4339241
_publ_section_title
;
 Toward the rational design of lanthanide coordination polymers: a new
 topological approach.
;
_journal_issue                   16
_journal_name_full               'Inorganic chemistry'
_journal_page_first              6242
_journal_page_last               6244
_journal_paper_doi               10.1021/ic7009918
_journal_volume                  46
_journal_year                    2007
_chemical_formula_sum            'C32 H57 N6 O22 Tb'
_chemical_formula_weight         1036.76
_chemical_name_systematic
; 
 ? 
;
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_cell_angle_beta                 94.5153(12)
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_cell_formula_units_Z            4
_cell_length_a                   16.0957(2)
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_computing_cell_refinement       'CrysAlis (Oxford Diffraction, 2006)'
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_computing_data_reduction        'CrysAlis (Oxford Diffraction, 2006)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100.0(5)
_diffrn_detector_area_resol_mean 6.67
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'MAR345 Image plate'
_diffrn_measurement_method       \f-scan
_diffrn_radiation_monochromator  'Si (111)'
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_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.71076
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_diffrn_reflns_limit_l_min       -23
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_diffrn_standards_interval_time  0
_diffrn_standards_number         0
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_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'SADABS v.2.10 (Sheldrick, 2005)'
_exptl_crystal_density_diffrn    1.626
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2128
_exptl_crystal_size_max          0.050
_exptl_crystal_size_mid          0.060
_exptl_crystal_size_min          0.070
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_refine_ls_extinction_method     none
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_refine_ls_matrix_type           full
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_refine_ls_R_factor_all          0.0454
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_refine_ls_shift/su_mean         0.011
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0383P)^2^+17.8270P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                7679
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_cod_data_source_file            ic7009918-file001.cif
_cod_data_source_block           TbHtpabn14H2O
_cod_original_cell_volume        4236.13(7)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4339241