[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_4312706
_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         'C62 H64 F12 N10 Mn2 O6 Ni P2 '
_chemical_formula_sum            'C62 H64 F12 Mn2 N10 Ni O6 P2'
_chemical_formula_weight         1503.76
_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                 98.946(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   21.173(3)
_cell_length_b                   16.097(1)
_cell_length_c                   19.024(2)
_cell_measurement_reflns_used    22858
_cell_measurement_temperature    103.0
_cell_measurement_theta_max      13.8
_cell_measurement_theta_min      1.6
_cell_volume                     6404.9(12)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure Ver. 3.00'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.9622
_diffrn_measured_fraction_theta_max 0.9622
_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  0.090
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            28305
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_exptl_absorpt_coefficient_mu    0.824
_exptl_absorpt_correction_T_max  0.921
_exptl_absorpt_correction_T_min  0.557
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.559
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3080.00
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.62
_refine_diff_density_min         -1.50
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.014
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     431
_refine_ls_number_reflns         7107
_refine_ls_R_factor_gt           0.0600
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0007Fo^2^ + 1.0000\s^2^(Fo) + 0.0000]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1320
_reflns_number_gt                3889
_reflns_number_total             7107
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ic034872osi20031017_090813.cif
_cod_data_source_block           '__[Mn2(saltmen)2Ni(pao)2(py)2](PF6)2'
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' tag value 'psi-scans' was replaced
with 'psi-scan' value.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_cell_volume        6404.9(1)
_cod_original_formula_sum        'C62 H64 F12 N10 Mn2 O6 Ni P2 '
_cod_database_code               4312706