Photoinduced Magnetization of the Cyano-Bridged 3d-4f Heterobimetallic Assembly Nd(DMF)4(H2O)3(μ-CN)Fe(CN)5.H2O (DMF =N,N-Dimethylformamide)
Guangming Li; Takashiro Akitsu; Osamu Sato; Yasuaki Einaga; Journal of the American Chemical Society 125 (2003) 12396–12397; doi:10.1021/ja037183k

data_4114260
_publ_contact_author_address
; 
Department of Chemistry 
Faculty of Science of Technology 
Keio University 
Hiyoshi 3-14-1, kohoku-ku 
Yokohama 223-8522 
Japan 
;
_publ_contact_author_email       akitsu@chem.keio.ac.jp
_publ_contact_author_fax         '(81) 45 566 1697'
_publ_contact_author_name        'Takashiro AKITSU'
_publ_contact_author_phone       '(81) 45 566 1790'
_publ_section_title
;
 Photoinduced Magnetization of the Cyano-Bridged 3d-4f Heterobimetallic
 Assembly Nd(DMF)4(H2O)3(\m-CN)Fe(CN)5.H2O (DMF =N,N-Dimethylformamide)
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              12396
_journal_page_last               12397
_journal_paper_doi               10.1021/ja037183k
_journal_volume                  125
_journal_year                    2003
_chemical_formula_moiety         'C18 H28 Fe N10 Nd O7, O'
_chemical_formula_sum            'C18 H28 Fe N10 Nd O8'
_chemical_formula_weight         712.59
_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'
_audit_creation_date             'Tue Nov 12 11:12:58 2002'
_audit_creation_method           'by teXsan'
_cell_angle_alpha                90
_cell_angle_beta                 95.87(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   19.930(9)
_cell_length_b                   8.914(5)
_cell_length_c                   17.642(7)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    297(1)
_cell_measurement_theta_max      12.3
_cell_measurement_theta_min      11.3
_cell_volume                     3118(3)
_computing_cell_refinement       WinAFC
_computing_data_collection       WinAFC
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  SHELXL97
_computing_structure_solution    SIR92
_diffrn_measured_fraction_theta_full 1.1309
_diffrn_measured_fraction_theta_max 1.1309
_diffrn_measurement_device_type  'Rigaku AFC7R'
_diffrn_measurement_method       \q-2\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.052
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       4
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            8661
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    2.164
_exptl_absorpt_correction_T_max  0.522
_exptl_absorpt_correction_T_min  0.463
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.518
_exptl_crystal_description       prism
_exptl_crystal_F_000             1424
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.30
_refine_diff_density_max         4.85
_refine_diff_density_min         -4.06
_refine_ls_extinction_method     'SHELXL97(Sheldrick, 1997)'
_refine_ls_goodness_of_fit_ref   3.654
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     343
_refine_ls_number_reflns         7621
_refine_ls_R_factor_gt           0.0734
_refine_ls_shift/su_max          0.4787
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00063|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1122
_reflns_number_gt                7037
_reflns_number_total             7176
_reflns_threshold_expression     I>2.0\s(I)
_cod_data_source_file            ja037183ksi20030715_125912.cif
_cod_data_source_block           NDFE
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C18 H28 Fe N10 Nd O8 '
_cod_database_code               4114260