A MnIII2NiII single-chain magnet separated by a thick isolating network of BPh4− anions
Miyasaka, Hitoshi; Saitoh, Ayumi; Yamashita, Masahiro; Clérac, Rodolphe; Dalton Transactions  (2008) 2422–2427; doi:10.1039/b718036e

data_7003655
_publ_section_title
;
 A MnIII2NiII single-chain magnet separated by a thick isolating
 network of BPh4&#x2212; anions
;
_journal_issue                   18
_journal_name_full               'Dalton Transactions'
_journal_page_first              2422
_journal_page_last               2427
_journal_paper_doi               10.1039/b718036e
_journal_year                    2008
_chemical_formula_moiety         'C115.50 H116 B2 Mn2 N10 Ni O9.50 '
_chemical_formula_sum            'C115.5 H116 B2 Mn2 N10 Ni O9.5'
_chemical_formula_weight         1986.44
_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                86.963(11)
_cell_angle_beta                 76.174(10)
_cell_angle_gamma                62.040(7)
_cell_formula_units_Z            2
_cell_length_a                   14.844(4)
_cell_length_b                   15.531(4)
_cell_length_c                   25.081(7)
_cell_measurement_reflns_used    12600
_cell_measurement_temperature    93.1
_cell_measurement_theta_max      31.0
_cell_measurement_theta_min      4.5
_cell_volume                     4948(2)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.976
_diffrn_measured_fraction_theta_max 0.810
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.045
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            45504
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         31.09
_exptl_absorpt_coefficient_mu    0.506
_exptl_absorpt_correction_T_max  0.990
_exptl_absorpt_correction_T_min  0.872
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.333
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2086.00
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.02
_refine_diff_density_max         1.44
_refine_diff_density_min         -1.03
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.971
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     1387
_refine_ls_number_reflns         17023
_refine_ls_R_factor_gt           0.0696
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'w = 1/[3.0000\s(Fo^2^) + 0.5000]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1144
_reflns_number_gt                10786
_reflns_number_total             17023
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b718036e.txt
_cod_data_source_block           '__Mn_H_BPh4-Ni_pao_phen'
_cod_original_formula_sum        'C115.50 H116 B2 Mn2 N10 Ni O9.50 '
_cod_database_code               7003655