Slow Dynamics of the Magnetization in One-Dimensional Coordination Polymers: Single-Chain Magnets
Hitoshi Miyasaka; Miguel Julve; Masahiro Yamashita; Rodolphe Clérac; Inorganic Chemistry 48 (2009) 3420–3437; doi:10.1021/ic802050j

data_4301942
_publ_section_title
;
Slow Dynamics of the Magnetization in One-Dimensional Coordination
Polymers: Single-Chain Magnets
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3420
_journal_page_last               3437
_journal_paper_doi               10.1021/ic802050j
_journal_volume                  48
_journal_year                    2009
_chemical_formula_moiety         'C64 H64.50 F12 Mn2 N10 Ni O7.25 P2 '
_chemical_formula_sum            'C64 H64.5 F12 Mn2 N10 Ni O7.25 P2'
_chemical_formula_weight         1548.28
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.0000
_cell_angle_beta                 107.2800(18)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   16.855(3)
_cell_length_b                   20.274(3)
_cell_length_c                   20.262(3)
_cell_measurement_reflns_used    20756
_cell_measurement_temperature    103.1
_cell_measurement_theta_max      31.5
_cell_measurement_theta_min      2.9
_cell_volume                     6611.4(18)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  SHELXL
_computing_structure_solution    'DIRDIF99 (PATTY)'
_diffrn_detector_area_resol_mean 28.57
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.531
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            11545
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         31.36
_exptl_absorpt_coefficient_mu    0.802
_exptl_absorpt_correction_T_max  0.938
_exptl_absorpt_correction_T_min  0.876
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.555
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             3170.00
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.58
_refine_diff_density_min         -0.41
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.003
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     908
_refine_ls_number_reflns         11545
_refine_ls_R_factor_gt           0.0414
_refine_ls_shift/su_max          0.0010
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0598P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1136
_reflns_number_gt                8147
_reflns_number_total             11545
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ic802050j_si_002.cif
_cod_data_source_block           '__030313-b'
_cod_original_cell_volume        6611.5(16)
_cod_original_formula_sum        'C64 H64.50 F12 Mn2 N10 Ni O7.25 P2 '
_cod_database_code               4301942