Novel tripodal chelating ligand for appending and encapsulating metal ions. Crystal structure of a parachute-like hydrogen bonded complex
Sun, Wei-Yin; Xie, Jin; Huang, Chang-Kang; Okamura, Taka-aki; Ueyama, Norikazu; Chemical Communications  (2000) 1429–; doi:10.1039/b003694n

data_7110998
_publ_section_title
;
 Novel tripodal chelating ligand for appending and encapsulating metal
 ions. Crystal structure of a parachute-like hydrogen bonded complex
;
_journal_issue                   15
_journal_name_full               'Chemical Communications'
_journal_page_first              1429
_journal_paper_doi               10.1039/b003694n
_journal_year                    2000
_chemical_formula_sum            'C24 H33 Cl7 N6 Zn2'
_chemical_formula_weight         784.50
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                108.41(2)
_cell_angle_beta                 112.25(2)
_cell_angle_gamma                104.09(2)
_cell_formula_units_Z            2
_cell_length_a                   13.593(4)
_cell_length_b                   13.788(4)
_cell_length_c                   10.821(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      15.0
_cell_measurement_theta_min      14.7
_cell_volume                     1621.7(10)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        'teXsan Ver. 1.10'
_computing_publication_material  'teXsan Ver. 1.10'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SIR92
_diffrn_measured_fraction_theta_full 1.0003
_diffrn_measured_fraction_theta_max 1.0003
_diffrn_measurement_device_type  'Rigaku AFC5R'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.017
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            7720
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_diffrn_standards_decay_%        0.05
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    2.081
_exptl_absorpt_correction_T_max  0.998
_exptl_absorpt_correction_T_min  0.926
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            'light yellow'
_exptl_crystal_density_diffrn    1.606
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.400
_exptl_crystal_size_min          0.400
_refine_diff_density_max         0.80
_refine_diff_density_min         -0.96
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.576
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     352
_refine_ls_number_reflns         4319
_refine_ls_R_factor_gt           0.0431
_refine_ls_shift/su_max          0.0068
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.04000(Max(Fo^2^,0) + 2Fc^2^)/3)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1177
_reflns_number_gt                4319
_reflns_number_total             7408
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b003694nsup1.cif
_cod_data_source_block           5
_cod_original_cell_volume        1621(1)
_cod_original_sg_symbol_H-M      'P -1         '
_cod_original_formula_sum        'C24 H33 Cl7 N6 Zn2 '
_cod_database_code               7110998