Magnetic exchange coupling tunable by means of selective cation binding into poly(radical-armed) azacrowns.
Igarashi, Kazuki; Nogami, Takashi; Ishida, Takayuki; Chemical communications (Cambridge, England)  (2007) 501–503; doi:10.1039/b613637k

data_7101676
_publ_section_title
;
 Magnetic exchange coupling tunable by means of selective cation
 binding into poly(radical-armed) azacrowns.
;
_journal_issue                   5
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              501
_journal_page_last               503
_journal_paper_doi               10.1039/b613637k
_journal_year                    2007
_chemical_formula_moiety         'C30 H54 Li N9 O6, Cl O4 '
_chemical_formula_sum            'C30 H54 Cl Li N9 O10'
_chemical_formula_weight         743.20
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_creation_date             2006-08-22
_audit_creation_method           'by CrystalStructure 3.7.0'
_cell_angle_alpha                90.0000
_cell_angle_beta                 101.47(7)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   13.927(13)
_cell_length_b                   18.118(16)
_cell_length_c                   15.600(12)
_cell_measurement_reflns_used    39258
_cell_measurement_temperature    90.
_cell_measurement_theta_max      27.1
_cell_measurement_theta_min      1.1
_cell_volume                     3858(6)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.7.0'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.970
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.103
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            28892
_diffrn_reflns_theta_full        27.10
_diffrn_reflns_theta_max         27.10
_exptl_absorpt_coefficient_mu    0.162
_exptl_absorpt_correction_T_max  0.953
_exptl_absorpt_correction_T_min  0.910
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details
;
Higashi, T. (1999). Program for Absorption Correction.
Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.280
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1588.00
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.30
_refine_diff_density_max         0.92
_refine_diff_density_min         -0.92
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.213
_refine_ls_hydrogen_treatment    mixed
_refine_ls_number_parameters     658
_refine_ls_number_reflns         8246
_refine_ls_R_factor_gt           0.0534
_refine_ls_shift/su_max          0.0060
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[0.0001Fo^2^ + 1.0000\s(Fo^2^)]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0588
_reflns_number_gt                3722
_reflns_number_total             8246
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b613637k.txt
_cod_data_source_block           '_tacnNN3.LiClO4'
_cod_original_formula_sum        'C30 H54 Cl Li N9 O10 '
_cod_database_code               7101676