Preparation, structure, and magnetic interaction of a Mn(hfac)2-bridged [2-(3-pyridyl)(nitronyl nitroxide)-Mn(hfac)2]2 chain complex.
Okada, Keiji; Beppu, Shiori; Tanaka, Koichiro; Kuratsu, Masato; Furuichi, Kimiaki; Kozaki, Masatoshi; Suzuki, Shuichi; Shiomi, Daisuke; Sato, Kazunobu; Takui, Takeji; Kitagawa, Yasutaka; Yamaguchi, Kizashi; Chemical communications (Cambridge, England)  (2007) 2485–2487; doi:10.1039/b618682c

data_7101985
_publ_section_title
;
 Preparation, structure, and magnetic interaction of a
 Mn(hfac)2-bridged [2-(3-pyridyl)(nitronyl nitroxide)-Mn(hfac)2]2 chain
 complex.
;
_journal_issue                   24
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              2485
_journal_page_last               2487
_journal_paper_doi               10.1039/b618682c
_journal_year                    2007
_chemical_formula_moiety         'C27 H19 F18 Mn1.50 N3 O8 '
_chemical_formula_sum            'C27 H19 F18 Mn1.5 N3 O8'
_chemical_formula_weight         937.84
_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                90.0000
_cell_angle_beta                 113.084(5)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            8
_cell_length_a                   25.102(3)
_cell_length_b                   14.1911(14)
_cell_length_c                   22.067(3)
_cell_measurement_reflns_used    4057
_cell_measurement_temperature    93.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      4.0
_cell_volume                     7231.5(15)
_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 0.953
_diffrn_measured_fraction_theta_max 0.953
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.103
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -32
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            26811
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.674
_exptl_absorpt_correction_T_max  0.967
_exptl_absorpt_correction_T_min  0.955
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details
;
Higashi, T. (1999). Program for Absorption Correction.
Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.723
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3724.00
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.44
_refine_diff_density_min         -0.53
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.064
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     538
_refine_ls_number_reflns         3796
_refine_ls_R_factor_gt           0.0549
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details
'w = 1/[0.0015Fo^2^ + 0.5000\s(Fo^2^) + 0.5000]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0691
_reflns_number_gt                3727
_reflns_number_total             7906
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b618682c.txt
_cod_data_source_block           '__tanaka103'
_cod_original_formula_sum        'C27 H19 F18 Mn1.50 N3 O8 '
_cod_database_code               7101985