Ferromagnetic NiII-GdIII interactions in complexes with NiGd, NiGdNi, and NiGdGdNi cores supported by tripodal ligands.
Yamaguchi, Tomoka; Sunatsuki, Yukinari; Kojima, Masaaki; Akashi, Haruo; Tsuchimoto, Masanobu; Re, Nazzareno; Osa, Shutaro; Matsumoto, Naohide; Chemical communications (Cambridge, England)  (2004) 1048–1049; doi:10.1039/b401033g

data_7102615
_publ_section_title
;
 Ferromagnetic NiII-GdIII interactions in complexes with NiGd, NiGdNi,
 and NiGdGdNi cores supported by tripodal ligands.
;
_journal_issue                   9
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              1048
_journal_page_last               1049
_journal_paper_doi               10.1039/b401033g
_journal_year                    2004
_chemical_formula_moiety         'C66 H84 Gd2 N6 O20 Ni2 '
_chemical_formula_sum            'C66 H84 Gd2 N6 Ni2 O20'
_chemical_formula_weight         1713.32
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_date             2004-02-25
_audit_creation_method           'by CrystalStructure 3.6.0'
_cell_angle_alpha                63.82(2)
_cell_angle_beta                 70.819(4)
_cell_angle_gamma                81.437(7)
_cell_formula_units_Z            1
_cell_length_a                   10.971(3)
_cell_length_b                   12.584(2)
_cell_length_c                   14.195(3)
_cell_measurement_reflns_used    4656
_cell_measurement_temperature    93.1
_cell_measurement_theta_max      25.0
_cell_measurement_theta_min      1.7
_cell_volume                     1661.1(6)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.6.0'
_computing_structure_refinement  CRYSTALS
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.8655
_diffrn_measured_fraction_theta_max 0.8055
_diffrn_measurement_device_type  'Rigaku RAXIS-IV'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.059
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            10051
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    2.613
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.898
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
Higashi, T. (1995). Program for Absorption Correction.
Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            unknown
_exptl_crystal_density_diffrn    1.713
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       unknown
_exptl_crystal_F_000             866.00
_exptl_crystal_size_max          0.00
_exptl_crystal_size_mid          0.00
_exptl_crystal_size_min          0.00
_refine_diff_density_max         1.85
_refine_diff_density_min         -2.51
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.098
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     475
_refine_ls_number_reflns         5627
_refine_ls_R_factor_gt           0.0630
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w == 1/[0.0016Fo^2^ + 1.0000\s(Fo^2^) + 0.5000]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1550
_reflns_number_gt                4100
_reflns_number_total             6137
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b401033g.txt
_cod_data_source_block           030227
_cod_original_formula_sum        'C66 H84 Gd2 N6 O20 Ni2 '
_cod_database_code               7102615