[Mn2(saltmen)2Ni(pao)2(L)2](A)2 with L = Pyridine, 4-Picoline, 4-tert-Butylpyridine, N-Methylimidazole and A = ClO4-, BF4-, PF6-, ReO4-: A Family of Single-Chain Magnets
Hitoshi Miyasaka; Rodolphe Clérac; Kaori Mizushima; Ken-ichi Sugiura; Masahiro Yamashita; Wolfgang Wernsdorfer; Claude Coulon; Inorganic Chemistry 42 (2003) 8203–8213; doi:10.1021/ic034872o

data_4312705
_publ_section_title
;
 [Mn2(saltmen)2Ni(pao)2(L)2](A)2 with L = Pyridine, 4-Picoline,
 4-tert-Butylpyridine, N-Methylimidazole and A = ClO4-, BF4-, PF6-, ReO4-:
 A Family of Single-Chain Magnets
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              8203
_journal_page_last               8213
_journal_paper_doi               10.1021/ic034872o
_journal_volume                  42
_journal_year                    2003
_chemical_formula_moiety         'C60 H66 Cl2 N12 Mn2 O14 Ni '
_chemical_formula_sum            'C60 H66 Cl2 Mn2 N12 Ni O14'
_chemical_formula_weight         1418.74
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 98.063(9)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   21.029(13)
_cell_length_b                   15.978(10)
_cell_length_c                   18.630(11)
_cell_measurement_reflns_used    4507
_cell_measurement_temperature    123.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_cell_volume                     6198(7)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure Ver. 3.00'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 14.62
_diffrn_measured_fraction_theta_full 0.9954
_diffrn_measured_fraction_theta_max 0.9966
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.095
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            24613
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.864
_exptl_absorpt_correction_T_max  0.966
_exptl_absorpt_correction_T_min  0.752
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.520
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             2936.00
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.04
_refine_diff_density_max         3.41
_refine_diff_density_min         -2.69
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.077
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     401
_refine_ls_number_reflns         7085
_refine_ls_R_factor_gt           0.1080
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0010Fo^2^ + 1.0000\s^2^(Fo) + 0.5000]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.2550
_reflns_number_gt                3407
_reflns_number_total             7085
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ic034872osi20031017_090744.cif
_cod_data_source_block           '__[Mn2(saltmen)2Ni(pao)2(Meim)2](ClO4)2'
_cod_original_cell_volume        6197.9(66)
_cod_original_formula_sum        'C60 H66 Cl2 N12 Mn2 O14 Ni '
_cod_database_code               4312705