A hydroxide inclusion complex of a methylene-bridged tetrapyrimidinium macrocycle
Hu, N.-H.; Acta Crystallographica Section C 50 (1994) 2082–2085; doi:10.1107/S0108270194003483

data_2010240
_publ_section_title
;
 A hydroxide inclusion complex of a methylene-bridged tetrapyrimidinium
 macrocycle
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2082
_journal_page_last               2085
_journal_paper_doi               10.1107/S0108270194003483
_journal_volume                  50
_journal_year                    1994
_chemical_formula_moiety         'C24 H50 Cl2 N12 O10'
_chemical_formula_sum            'C24 H50 Cl2 N12 O10'
_chemical_formula_weight         737.64
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90.
_cell_angle_beta                 102.39(2)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   10.740(2)
_cell_length_b                   17.606(4)
_cell_length_c                   19.775(4)
_cell_measurement_reflns_used    21
_cell_measurement_temperature    294
_cell_measurement_theta_max      13.4
_cell_measurement_theta_min      5.2
_cell_volume                     3652.1(13)
_diffrn_measurement_device       'Nicolet R3m/E'
_diffrn_measurement_method       \w
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.013
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            6787
_diffrn_reflns_theta_max         25.0
_diffrn_standards_decay_%        <2.4
_diffrn_standards_interval_count 98
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    0.24
_exptl_absorpt_correction_T_max  0.91
_exptl_absorpt_correction_T_min  0.89
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            'light yellow'
_exptl_crystal_density_diffrn    1.34
_exptl_crystal_description       tabular
_exptl_crystal_size_max          0.55
_exptl_crystal_size_mid          0.50
_exptl_crystal_size_min          0.42
_refine_diff_density_max         0.64
_refine_diff_density_min         -0.34
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   3.36
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     433
_refine_ls_number_reflns         2692
_refine_ls_R_factor_obs          0.078
_refine_ls_shift/esd_max         0.02
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_obs         0.086
_reflns_number_observed          2692
_reflns_number_total             6420
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            as1097.cif
_cod_data_source_block           as1097a
_cod_original_cell_volume        3652.0(10)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2010240