Heterometallic Co(III)-Gd(III) Clusters as Magnetic Refrigerants.
Sheikh, Javeed Ahmad; Clearfield, Abraham; Inorganic chemistry 55 (2016) 8254–8256; doi:10.1021/acs.inorgchem.6b01414

data_4348602
_publ_section_title
;
 Heterometallic Co(III)-Gd(III) Clusters as Magnetic Refrigerants.
;
_journal_issue                   17
_journal_name_full               'Inorganic chemistry'
_journal_page_first              8254
_journal_page_last               8256
_journal_paper_doi               10.1021/acs.inorgchem.6b01414
_journal_volume                  55
_journal_year                    2016
_chemical_formula_moiety         'C102 H182 Co2 Gd9 N4 O50 P4'
_chemical_formula_sum            'C102 H182 Co2 Gd9 N4 O50 P4'
_chemical_formula_weight         3921.52
_space_group_crystal_system      triclinic
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_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
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_cell_angle_beta                 87.688(5)
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_cell_length_b                   20.974(2)
_cell_length_c                   22.600(2)
_cell_measurement_reflns_used    46069
_cell_measurement_temperature    100(2)
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_cell_measurement_theta_min      0.99
_cell_volume                     7790.6(13)
_computing_cell_refinement       'Bruker SAINT'
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_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_device_type  'Bruker Apex-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_R_equivalents  0.0565
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_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.982
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       29
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_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -31
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_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.982
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.155
_diffrn_reflns_theta_min         0.997
_exptl_absorpt_coefficient_mu    4.091
_exptl_absorpt_correction_T_max  0.331
_exptl_absorpt_correction_T_min  0.169
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   multi-scan
_exptl_crystal_colour            Pink
_exptl_crystal_density_diffrn    1.672
_exptl_crystal_description       block
_exptl_crystal_F_000             3824
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_exptl_crystal_size_min          0.27
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_refine_diff_density_min         -2.529
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_refine_ls_extinction_method     none
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_refine_ls_number_reflns         45242
_refine_ls_number_restraints     2666
_refine_ls_restrained_S_all      1.126
_refine_ls_R_factor_all          0.1046
_refine_ls_R_factor_gt           0.0772
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0553P)^2^+193.2341P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1870
_refine_ls_wR_factor_ref         0.2017
_reflns_Friedel_coverage         0.000
_reflns_number_gt                33803
_reflns_number_total             45242
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ic6b01414_si_003.cif
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_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              13184
_shelx_hkl_checksum              97821