Switching off the single-molecule magnet properties of the [CoII(Me6tren)(OH2)]2+module by complexation with trans-[RuIII(salen)(CN)2]−
Piñero Cruz, Dalice M.; Woodruff, Daniel N.; Jeon, Ie-Rang; Bhowmick, Indrani; Secu, Mihail; Hillard, Elizabeth A.; Dechambenoit, Pierre; Clérac, Rodolphe; New Journal of Chemistry 38 (2014) 3443–; doi:10.1039/C4NJ00452C

data_7054364
_publ_section_title
;
 Switching off the single-molecule magnet properties of the
 [CoII(Me6tren)(OH2)]2+module by complexation with
 trans-[RuIII(salen)(CN)2]&#x2212;
;
_journal_issue                   8
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              3443
_journal_paper_doi               10.1039/C4NJ00452C
_journal_volume                  38
_journal_year                    2014
_chemical_formula_moiety
'C42 H74 Co2 N12 O2 Ru, 3(N O3), 3(C2 H3 N), H2 O'
_chemical_formula_sum            'C48 H85 Co2 N18 O12 Ru'
_chemical_formula_weight         1325.27
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90
_cell_angle_beta                 103.641(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   19.577(2)
_cell_length_b                   33.296(3)
_cell_length_c                   9.372(1)
_cell_measurement_reflns_used    9948
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      25.39
_cell_measurement_theta_min      2.47
_cell_volume                     5936.7(10)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_publication_material  'WINGX (Farrugia)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    SIR-92
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker APEX-II Quasar'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Incoatec microfocus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0522
_diffrn_reflns_av_sigmaI/netI    0.0499
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       38
_diffrn_reflns_limit_k_min       -40
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            46030
_diffrn_reflns_theta_full        25.45
_diffrn_reflns_theta_max         25.45
_diffrn_reflns_theta_min         1.07
_exptl_absorpt_coefficient_mu    0.876
_exptl_absorpt_correction_T_max  0.9742
_exptl_absorpt_correction_T_min  0.8042
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.483
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             2772
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.03
_refine_diff_density_max         1.228
_refine_diff_density_min         -1.573
_refine_diff_density_rms         0.127
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.133
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     745
_refine_ls_number_reflns         10943
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.133
_refine_ls_R_factor_all          0.0706
_refine_ls_R_factor_gt           0.0549
_refine_ls_shift/su_max          0.007
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0592P)^2^+36.6107P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1568
_refine_ls_wR_factor_ref         0.1673
_reflns_number_gt                8964
_reflns_number_total             10943
_reflns_threshold_expression     >2sigma(I)
_cod_duplicate_entry             7054128
_cod_data_source_file            c4nj00452c2.cif
_cod_data_source_block           compound_2
_cod_original_cell_volume        5937(1)
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               7054364