Dynamic and Fluorescent Nanoscale Phenanthroline/Terpyridine Zinc(II) Ladders. Self-Recognition in Unlike Ligand/Like Metal Coordination Scenarios
Michael Schmittel; Venkateshwarlu Kalsani; Ravuri S. K. Kishore; Helmut Cölfen; Jan W. Bats; Journal of the American Chemical Society 127 (2005) 11544–11545; doi:10.1021/ja0525096

data_4111869
_publ_section_title
;
 Dynamic and Fluorescent Nanoscale Phenanthroline/Terpyridine Zinc(II)
 Ladders. Self-Recognition in Unlike Ligand/Like Metal Coordination
 Scenarios
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              11544
_journal_page_last               11545
_journal_paper_doi               10.1021/ja0525096
_journal_volume                  127
_journal_year                    2005
_chemical_formula_moiety         'C208 H156 N20 O4 Zn4, 8 (C F3 S O3)'
_chemical_formula_sum            'C216 H156 F24 N20 O28 S8 Zn4'
_chemical_formula_weight         4453.57
_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                 94.851(17)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   21.715(6)
_cell_length_b                   19.196(6)
_cell_length_c                   28.620(7)
_cell_measurement_reflns_used    91
_cell_measurement_temperature    157(2)
_cell_measurement_theta_max      23
_cell_measurement_theta_min      3
_cell_volume                     11887(6)
_computing_cell_refinement       'SMART (Siemens, 1995)'
_computing_data_collection       'SMART (Siemens, 1995)'
_computing_data_reduction        'SAINT (Siemens, 1995)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      157(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  SIEMENS_SMART_CCD
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'normal-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.2147
_diffrn_reflns_av_sigmaI/netI    0.2476
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            101150
_diffrn_reflns_theta_full        23.35
_diffrn_reflns_theta_max         23.35
_diffrn_reflns_theta_min         1.13
_diffrn_standards_decay_%        0.0
_diffrn_standards_interval_time  1200
_diffrn_standards_number         300
_exptl_absorpt_coefficient_mu    0.552
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.722
_exptl_absorpt_correction_type   'empirical, SADABS (Sheldrick, 2000)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.244
_exptl_crystal_description       block
_exptl_crystal_F_000             4560
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.272
_refine_diff_density_min         -0.556
_refine_diff_density_rms         0.151
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.638
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     643
_refine_ls_number_reflns         17215
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.638
_refine_ls_R_factor_all          0.3733
_refine_ls_R_factor_gt           0.2315
_refine_ls_shift/su_max          0.178
_refine_ls_shift/su_mean         0.074
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3967
_refine_ls_wR_factor_ref         0.4456
_reflns_number_gt                7479
_reflns_number_total             17215
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            ja0525096si20050418_104035.cif
_cod_data_source_block           kalsani4
_cod_original_cell_volume        11887(5)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4111869