Monometallic Lanthanoid Assembly Showing Ferromagnetism with a Curie Temperature of 11 K
Koji Nakabayashi; Shin-ichi Ohkoshi; Inorganic Chemistry 48 (2009) 8647–8649; doi:10.1021/ic900625a

data_4303135
_publ_contact_author_email       ohkoshi@chem.s.u-tokyo.ac.jp
_publ_contact_author_fax         +81-3-3812-1896
_publ_contact_author_name        'Shin-ichi Ohkoshi'
_publ_contact_author_phone       +81-3-5841-4331
_publ_section_title
;
Monometallic Lanthanoid Assembly Showing Ferromagnetism with a Curie
Temperature of 11 K
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              8647
_journal_page_last               8649
_journal_paper_doi               10.1021/ic900625a
_journal_volume                  48
_journal_year                    2009
_chemical_formula_moiety         'C12 H4 Ho Na5 O25 '
_chemical_formula_sum            'C12 H4 Ho Na5 O25'
_chemical_formula_weight         828.03
_space_group_IT_number           74
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      74
_symmetry_space_group_name_Hall  '-I 2b 2'
_symmetry_space_group_name_H-M   'I m m a'
_audit_creation_date             2008-12-23
_audit_creation_method           'by CrystalStructure 3.8'
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   16.6995(15)
_cell_length_b                   16.7106(16)
_cell_length_c                   9.7907(10)
_cell_measurement_reflns_used    7966
_cell_measurement_temperature    93.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.4
_cell_volume                     2732.2(5)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_molecular_graphics
;
ORTEP-3 (Farrugia, 1997) and PyMOLWin (DELANO scientific LLC)
;
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  SHELXL
_computing_structure_solution    SHELXS97
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.067
_diffrn_reflns_limit_h_max       -100
_diffrn_reflns_limit_h_min       100
_diffrn_reflns_limit_k_max       -100
_diffrn_reflns_limit_k_min       100
_diffrn_reflns_limit_l_max       -100
_diffrn_reflns_limit_l_min       100
_diffrn_reflns_number            12643
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    3.082
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    2.013
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1592.00
_exptl_crystal_size_max          0.06
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.89
_refine_diff_density_min         -2.98
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.160
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     134
_refine_ls_number_reflns         1680
_refine_ls_R_factor_gt           0.0568
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0729P)^2^+86.1049P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1527
_reflns_number_gt                1571
_reflns_number_total             1680
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ic900625a_si_001.cif
_cod_data_source_block           '_sc0293x'
_cod_original_formula_sum        'C12 H4 Ho Na5 O25 '
_cod_database_code               4303135