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_7102614
_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         'C54 H60 Gd N7 O13 Ni2 '
_chemical_formula_sum            'C54 H60 Gd N7 Ni2 O13'
_chemical_formula_weight         1289.76
_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'
_cell_angle_alpha                90.290(2)
_cell_angle_beta                 104.022(2)
_cell_angle_gamma                111.761(1)
_cell_formula_units_Z            2
_cell_length_a                   13.2245(5)
_cell_length_b                   13.8535(4)
_cell_length_c                   16.4979(5)
_cell_measurement_reflns_used    8524
_cell_measurement_temperature    296.1
_cell_measurement_theta_max      25.0
_cell_measurement_theta_min      1.8
_cell_volume                     2708.3(2)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure Ver. 3.5.1'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.8565
_diffrn_measured_fraction_theta_max 0.8565
_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  0.033
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            40228
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    1.972
_exptl_absorpt_correction_T_max  0.821
_exptl_absorpt_correction_T_min  0.786
_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    1.581
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       unknown
_exptl_crystal_F_000             1314.00
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.89
_refine_diff_density_min         -1.41
_refine_ls_extinction_coef       281(19)
_refine_ls_extinction_method
'Larson (1970) Crystallographic Computing eq. 22'
_refine_ls_goodness_of_fit_ref   1.078
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     733
_refine_ls_number_reflns         10630
_refine_ls_R_factor_gt           0.0500
_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         0.1280
_reflns_number_gt                8846
_reflns_number_total             10631
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b401033g.txt
_cod_data_source_block           030226
_cod_original_sg_symbol_H-M      'P -1       '
_cod_original_formula_sum        'C54 H60 Gd N7 O13 Ni2 '
_cod_database_code               7102614