Exchange coupling in TbCu and DyCu single-molecule magnets and related lanthanide and vanadium analogs.
Ishida, Takayuki; Watanabe, Ryo; Fujiwara, Kei; Okazawa, Atsushi; Kojima, Norimichi; Tanaka, Go; Yoshii, Shunsuke; Nojiri, Hiroyuki; Dalton transactions (Cambridge, England : 2003) 41 (2012) 13609–13619; doi:10.1039/c2dt31169k

data_7020283
_publ_section_title
;
 Exchange coupling in TbCu and DyCu single-molecule magnets and related
 lanthanide and vanadium analogs.
;
_journal_issue                   44
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              13609
_journal_page_last               13619
_journal_paper_doi               10.1039/c2dt31169k
_journal_volume                  41
_journal_year                    2012
_chemical_formula_moiety         'C24 H30 Cu Er N5 O14 '
_chemical_formula_sum            'C24 H30 Cu Er N5 O14'
_chemical_formula_weight         843.33
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.0000
_cell_angle_beta                 95.471(2)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   9.635(5)
_cell_length_b                   19.833(4)
_cell_length_c                   15.689(4)
_cell_measurement_reflns_used    440
_cell_measurement_temperature    100.
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_cell_volume                     2984.4(18)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR2004
_diffrn_ambient_temperature      100.
_diffrn_detector_area_resol_mean 14.63
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.068
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            50659
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    3.577
_exptl_absorpt_correction_T_max  0.489
_exptl_absorpt_correction_T_min  0.207
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details
;
Higashi, T. (1999). Program for Absorption Correction.
Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.877
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1672.00
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.87
_refine_diff_density_min         -1.04
_refine_ls_extinction_coef       34(5)
_refine_ls_extinction_method
'Larson (1970) Crystallographic Computing eq. 22'
_refine_ls_goodness_of_fit_ref   1.016
_refine_ls_hydrogen_treatment    mixed
_refine_ls_number_parameters     509
_refine_ls_number_reflns         6831
_refine_ls_R_factor_gt           0.0232
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[0.0001Fo^2^ + 1.0000\s(Fo^2^)]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0319
_reflns_number_gt                6475
_reflns_number_total             6831
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            c2dt31169k.txt
_cod_data_source_block           '__ErCu'
_cod_original_cell_volume        2984.4(19)
_cod_original_formula_sum        'C24 H30 Cu Er N5 O14 '
_cod_database_code               7020283