Synthesis, structures and properties of two-dimensional honeycomb and stepwise networks from self-assembly of tripodal ligand 1,3,5-tris(imidazol-1-ylmethyl)-2,4,6-trimethylbenzene with metal salts
Fan, Jian; Sui, Bin; Okamura, Taka-aki; Sun, Wei-Yin; Tang, Wen-Xia; Ueyama, Norikazu; Journal of the Chemical Society, Dalton Transactions  (2002) 3868–3873; doi:10.1039/b202138b

data_7011606
_publ_section_title
;
 Synthesis, structures and properties of two-dimensional honeycomb and
 stepwise networks from self-assembly of tripodal ligand
 1,3,5-tris(imidazol-1-ylmethyl)-2,4,6-trimethylbenzene with metal salts
;
_journal_coden_ASTM              JCSDAA
_journal_issue                   20
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              3868
_journal_page_last               3873
_journal_paper_doi               10.1039/b202138b
_journal_year                    2002
_chemical_formula_moiety         'C42 H48 Cl2 N12 O8 Zn '
_chemical_formula_sum            'C42 H48 Cl2 N12 O8 Zn'
_chemical_formula_weight         985.19
_chemical_name_systematic
; 
[Zn(L)2](ClO4)2 (1) 
;
_space_group_IT_number           148
_symmetry_cell_setting           rhombohedral
_symmetry_Int_Tables_number      148
_symmetry_space_group_name_Hall  '-P 3*'
_symmetry_space_group_name_H-M   'R -3 :R'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             'Thu Jan  4 15:57:06 2001'
_audit_creation_method           SHELXL-97
_cell_angle_alpha                46.194(2)
_cell_angle_beta                 46.194(2)
_cell_angle_gamma                46.194(2)
_cell_formula_units_Z            1
_cell_length_a                   13.5818(8)
_cell_length_b                   13.5818(8)
_cell_length_c                   13.5818(8)
_cell_measurement_reflns_used    11586
_cell_measurement_temperature    200
_cell_measurement_theta_max      27.4
_cell_measurement_theta_min      2.3
_cell_volume                     1190.71(13)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      200
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID Imaging Plate'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0410
_diffrn_reflns_av_sigmaI/netI    0.1298
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            3599
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         2.28
_exptl_absorpt_coefficient_mu    0.691
_exptl_absorpt_correction_T_max  0.933
_exptl_absorpt_correction_T_min  0.417
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Higashi, 1995)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.374
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             512
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.487
_refine_diff_density_min         -0.261
_refine_diff_density_rms         0.062
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.979
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     100
_refine_ls_number_reflns         1833
_refine_ls_number_restraints     18
_refine_ls_restrained_S_all      0.974
_refine_ls_R_factor_all          0.0818
_refine_ls_R_factor_gt           0.0481
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w==1/[\s^2^(Fo^2^)+(0.0400P)^2^+0.0000P] where P==(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1071
_refine_ls_wR_factor_ref         0.1126
_reflns_number_gt                1039
_reflns_number_total             1833
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b202138b.txt
_cod_data_source_block           1
_cod_original_cell_volume        1190.71(12)
_cod_original_sg_symbol_H-M      'R -3'
_cod_database_code               7011606