Insertion of a strongly π‒π stacked chloranilate pair into an M4 arrangement preorganized within a large macrocyclic ligand (M = Zn2+ and Cu2+)Electronic supplementary information (ESI) available: Fig S1: variable-temperature EPR spectra. See http://www.rsc.org/suppdata/cc/b2/b202529a/
Yoshino, Atsushi; Matsudaira, Hideo; Asato, Eiji; Koikawa, Masayuki; Shiga, Takuya; Ohba, Masaaki; Okawa, Hisashi; Chemical Communications  (2002) 1258–; doi:10.1039/b202529a

data_7114293
_publ_section_title
;
 Insertion of a strongly \p--\p stacked chloranilate pair into an M4
 arrangement preorganized within a large macrocyclic ligand (M = Zn2+ and
 Cu2+)Electronic supplementary information (ESI) available: Fig S1:
 variable-temperature EPR spectra. See
 http://www.rsc.org/suppdata/cc/b2/b202529a/
;
_journal_issue                   12
_journal_name_full               'Chemical Communications'
_journal_page_first              1258
_journal_paper_doi               10.1039/b202529a
_journal_year                    2002
_chemical_formula_moiety         'C78 H86 Cl6 N12 O24 Zn4 '
_chemical_formula_sum            'C78 H86 Cl6 N12 O24 Zn4'
_chemical_formula_weight         2049.84
_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'
_audit_creation_date             2002-02-06
_audit_creation_method           'by CrystalStructure v2.00'
_cell_angle_alpha                113.796(5)
_cell_angle_beta                 96.578(4)
_cell_angle_gamma                102.170(5)
_cell_formula_units_Z            2
_cell_length_a                   17.744(2)
_cell_length_b                   19.093(2)
_cell_length_c                   15.701(2)
_cell_measurement_reflns_used    13216
_cell_measurement_temperature    223.1
_cell_measurement_theta_max      17.2
_cell_measurement_theta_min      1.5
_cell_volume                     4637.7(10)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure Ver. 2.00'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.9725
_diffrn_measured_fraction_theta_max 0.9725
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.056
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            41012
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    1.271
_exptl_absorpt_correction_T_max  0.881
_exptl_absorpt_correction_T_min  0.835
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details
;
Higashi, T. (1999). Program for Absorption Correction.
Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.468
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.65
_refine_diff_density_min         -0.43
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.891
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     1203
_refine_ls_number_reflns         16570
_refine_ls_R_factor_gt           0.0600
_refine_ls_shift/su_max          0.0120
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0002Fo^2^ + 1.000\s^2^(Fo)]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1170
_reflns_number_gt                12284
_reflns_number_total             20672
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b202529a.txt
_cod_data_source_block           '_Compound_1&#x0095;#4CH3CN'
_cod_original_cell_volume        4637.6(9)
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C78 H86 Cl6 N12 O24 Zn4 '
_cod_database_code               7114293