[18]Crown-6 rotator in spin-ladder compound of m-aminoanilinium([18]crown-6)[Ni(dmit)2]-.
Akutagawa, Tomoyuki; Sato, Daisuke; Ye, Qiong; Endo, Toru; Noro, Shin-ichiro; Takeda, Sadamu; Nakamura, Takayoshi; Dalton transactions (Cambridge, England : 2003) 39 (2010) 8219–8227; doi:10.1039/c0dt00308e

data_7026269
_publ_section_title
;
 [18]Crown-6 rotator in spin-ladder compound of
 m-aminoanilinium([18]crown-6)[Ni(dmit)2]-.
;
_journal_issue                   35
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              8219
_journal_page_last               8227
_journal_paper_doi               10.1039/c0dt00308e
_journal_volume                  39
_journal_year                    2010
_chemical_formula_moiety         'C24 H33 N2 Ni O6 S10 '
_chemical_formula_sum            'C24 H33 N2 Ni O6 S10'
_chemical_formula_weight         824.83
_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                109.876(20)
_cell_angle_beta                 95.93(2)
_cell_angle_gamma                90.928(18)
_cell_formula_units_Z            2
_cell_length_a                   8.334(4)
_cell_length_b                   14.025(6)
_cell_length_c                   16.325(9)
_cell_measurement_reflns_used    14611
_cell_measurement_temperature    300
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     1782.2(15)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR2002
_diffrn_ambient_temperature      300
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.979
_diffrn_measured_fraction_theta_max 0.979
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.018
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            17208
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    1.169
_exptl_absorpt_correction_T_max  0.704
_exptl_absorpt_correction_T_min  0.535
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
Higashi, T. (1995). Program for Absorption Correction.
Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.537
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             854.00
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.30
_refine_diff_density_max         0.49
_refine_diff_density_min         -0.32
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.145
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     421
_refine_ls_number_reflns         6196
_refine_ls_R_factor_gt           0.0326
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
Chebychev polynomial with 3 parameters (Carruthers & Watkin, 1979)
436.0130 595.8720 165.1280
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0430
_reflns_number_gt                6172
_reflns_number_total             7994
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            c0dt00308e.txt
_cod_data_source_block           '_mphdkaku'
_cod_original_formula_sum        'C24 H33 N2 Ni O6 S10 '
_cod_database_code               7026269