Metal Ion-Controlled Self-Assembly Using Pyrimidine Hydrazone Molecular Strands with Terminal Hydroxymethyl Groups: A Comparison of Pb(II) and Zn(II) Complexes
Daniel J. Hutchinson; Lyall R. Hanton; Stephen C. Moratti; Inorganic Chemistry 50 (2011) 7637–7649; doi:10.1021/ic200670w

data_4325884
_publ_contact_author             'Hanton, Lyall R.'
_publ_contact_author_email       lhanton@Chemistry.otago.ac.nz
_publ_section_title
;
 Metal Ion-Controlled Self-Assembly Using Pyrimidine Hydrazone Molecular
 Strands with Terminal Hydroxymethyl Groups: A Comparison of Pb(II) and
 Zn(II) Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7637
_journal_page_last               7649
_journal_paper_doi               10.1021/ic200670w
_journal_volume                  50
_journal_year                    2011
_chemical_formula_moiety         'C84 H96 Cl4 N32 O24 Pb4, 4(Cl O4)'
_chemical_formula_sum            'C84 H96 Cl8 Cu0 N32 O40 Pb4'
_chemical_formula_weight         3306.33
_chemical_name_systematic
;
 ?
;
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_symmetry_space_group_name_Hall  '-I 4ad'
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_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
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_cell_measurement_temperature    90(2)
_cell_measurement_theta_max      29.68
_cell_measurement_theta_min      2.31
_cell_volume                     11881.7(10)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
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_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
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_computing_structure_solution    'SIR97 (Altomare et al., 1999)'
_diffrn_ambient_temperature      90(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEXII 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
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_diffrn_reflns_limit_k_min       -33
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_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         2.56
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    5.924
_exptl_absorpt_correction_T_max  0.7460
_exptl_absorpt_correction_T_min  0.3586
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_exptl_absorpt_process_details   'SADABS (Bruker, 2004)'
_exptl_crystal_colour            'pale yellow'
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_refine_ls_extinction_method     none
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_refine_ls_R_factor_all          0.0473
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_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0555P)^2^+126.2672P] where P=(Fo^2^+2Fc^2^)/3'
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_cod_data_source_file            ic200670w_si_002_5.cif
_cod_data_source_block           djh519_Complex5
_cod_original_cell_volume        11882(2)
_cod_original_sg_symbol_H-M      'I 41/a'
_cod_database_code               4325884