Slow Relaxation of the Magnetization in Non-Linear Optical Active Layered Mixed Metal Oxalate Chains
Elena Cariati; Renato Ugo; Giuseppe Santoro; Elisa Tordin; Lorenzo Sorace; Andrea Caneschi; Angelo Sironi; Piero Macchi; Nicola Casati; Inorganic Chemistry 49 (2010) 10894–10901; doi:10.1021/ic1013076

data_4317146
_publ_contact_author_address
;
Dipartimento di Chimica Strutturale e Stereochimica Inorganica
Universit\'a di Milano
via Venezian 21
I-20133 Milano
Italy
;
_publ_contact_author_email       angelo.sironi@unimi.it
_publ_contact_author_fax         +39(02)50314444
_publ_contact_author_name        'Prof. Angelo Sironi'
_publ_contact_author_phone       +39(02)50314448
_publ_section_title
;
 Slow Relaxation of the Magnetization in Non-Linear Optical Active Layered
 Mixed Metal Oxalate Chains
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              10894
_journal_page_last               10901
_journal_paper_doi               10.1021/ic1013076
_journal_volume                  49
_journal_year                    2010
_chemical_absolute_configuration ad
_chemical_formula_sum            'C94 H98 Co Fe2 N10 O28'
_chemical_formula_weight         1986.45
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           43
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'F 2 -2d'
_symmetry_space_group_name_H-M   'F d d 2'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.4
_audit_creation_date             2010-02-02T09:16:13-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   39.364(3)
_cell_length_b                   48.759(4)
_cell_length_c                   9.4875(8)
_cell_measurement_temperature    293(2)
_cell_volume                     18210(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.2157
_diffrn_reflns_av_unetI/netI     0.1601
_diffrn_reflns_limit_h_max       43
_diffrn_reflns_limit_h_min       -43
_diffrn_reflns_limit_k_max       54
_diffrn_reflns_limit_k_min       -54
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            32216
_diffrn_reflns_theta_full        23.29
_diffrn_reflns_theta_max         23.29
_diffrn_reflns_theta_min         1.67
_exptl_absorpt_coefficient_mu    0.582
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    1.449
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             8280
_refine_diff_density_max         0.447
_refine_diff_density_min         -0.961
_refine_diff_density_rms         0.094
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.07(5)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.977
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     379
_refine_ls_number_reflns         6515
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      0.977
_refine_ls_R_factor_all          0.2095
_refine_ls_R_factor_gt           0.0924
_refine_ls_shift/su_max          0.017
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1446P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2127
_refine_ls_wR_factor_ref         0.2801
_reflns_number_gt                3004
_reflns_number_total             6515
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic1013076_si_001.cif
_cod_data_source_block           ele78b
_cod_database_code               4317146