Coexistence of Long-Range Ferromagnetic Ordering and Glassy Behavior in One-Dimensional Bimetallic Cyano-Bridged Polymers
Dongfeng Li; Limin Zheng; Yuanzhu Zhang; Jin Huang; Song Gao; Wenxia Tang; Inorganic Chemistry 42 (2003) 6123–6129; doi:10.1021/ic034539k

data_4314279
_publ_contact_author_address
;
        State Key Lab. of Coordination Chemistry
    Nanjing University
    Nanjing 210093 
    P. R. China
;
_publ_contact_author_email       ' chem1121@netra.nju.edu.cn'
_publ_contact_author_fax         ' 86-25-3314502'
_publ_contact_author_name        ' Dr. Dongfeng Li'
_publ_contact_author_phone       ' 86-25-3593485'
_publ_section_title
;
 Coexistence of Long-Range Ferromagnetic Ordering and Glassy Behavior in
 One-Dimensional Bimetallic Cyano-Bridged Polymers
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6123
_journal_page_last               6129
_journal_paper_doi               10.1021/ic034539k
_journal_volume                  42
_journal_year                    2003
_chemical_formula_sum            'C60 H72 Mn3 N28 O8 W2'
_chemical_formula_weight         1845.98
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                78.32(3)
_cell_angle_beta                 75.69(3)
_cell_angle_gamma                66.63(3)
_cell_formula_units_Z            1
_cell_length_a                   10.672(2)
_cell_length_b                   13.024(3)
_cell_length_c                   16.000(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      13.0
_cell_measurement_theta_min      11.0
_cell_volume                     1964.4(8)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  CAD4
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0654
_diffrn_reflns_av_sigmaI/netI    0.0736
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            7270
_diffrn_reflns_theta_full        24.97
_diffrn_reflns_theta_max         24.97
_diffrn_reflns_theta_min         2.04
_diffrn_standards_decay_%        0.0
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    3.452
_exptl_absorpt_correction_T_max  0.552
_exptl_absorpt_correction_T_min  0.423
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.560
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             915
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.18
_refine_diff_density_max         2.877
_refine_diff_density_min         -2.401
_refine_diff_density_rms         0.215
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.014
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     448
_refine_ls_number_reflns         6872
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.014
_refine_ls_R_factor_all          0.0998
_refine_ls_R_factor_gt           0.0573
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0998P)^2^+9.8071P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1398
_refine_ls_wR_factor_ref         0.1691
_reflns_number_gt                4954
_reflns_number_total             6872
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic034539ksi20030519_083452_2.cif
_cod_data_source_block           Mn3(bipy)2(DMF)8[W(CN)8]2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_cell_volume        1964.4(7)
_cod_database_code               4314279