Humidity driven molecular switch based on photoluminescent DyIIICoIII single-molecule magnets
Chorazy, Szymon; Zakrzewski, Jakub J.; Reczyński, Mateusz; Nakabayashi, Koji; Ohkoshi, Shin-ichi; Sieklucka, Barbara; Journal of Materials Chemistry C 7 (2019) 4164–; doi:10.1039/C8TC06630B

data_7237631
_publ_section_title
;
 Humidity driven molecular switch based on photoluminescent DyIIICoIII
 single-molecule magnets
;
_journal_issue                   14
_journal_name_full               'Journal of Materials Chemistry C'
_journal_page_first              4164
_journal_paper_doi               10.1039/C8TC06630B
_journal_volume                  7
_journal_year                    2019
_chemical_formula_moiety         'C22 H36 Co Dy N10 O8'
_chemical_formula_sum            'C22 H36 Co Dy N10 O8'
_chemical_formula_weight         790.04
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     'direct - structure invariant direct methods'
_atom_sites_solution_secondary   'direct - structure invariant direct methods'
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.4.3
_audit_creation_date             2018-04-28T18:18:07-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_audit_update_record
;
2018-07-24 deposited with the CCDC.	2019-03-08 downloaded from the CCDC.
;
_cell_angle_alpha                95.225(7)
_cell_angle_beta                 90.460(6)
_cell_angle_gamma                90.216(6)
_cell_formula_units_Z            2
_cell_length_a                   9.0316(8)
_cell_length_b                   12.0690(11)
_cell_length_c                   14.0244(11)
_cell_measurement_reflns_used    11466
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      25.023
_cell_measurement_theta_min      3.101
_cell_measurement_wavelength     0.71075
_cell_volume                     1522.3(2)
_computing_molecular_graphics    'Ortep for Windows (Farrugia, 2012)'
_computing_publication_material  'WinGX publication routines (Farrugia, 2012)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SIR-92 (Altomare et al., 1994)'
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0853
_diffrn_reflns_av_unetI/netI     0.1146
_diffrn_reflns_Laue_measured_fraction_full 0.988
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            11466
_diffrn_reflns_point_group_measured_fraction_full 0.988
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_theta_full        25.023
_diffrn_reflns_theta_max         25.023
_diffrn_reflns_theta_min         3.101
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.04
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.4605
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Rigaku, 1995)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.724
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             790
_exptl_crystal_preparation       'Magnetic properties,Luminescent'
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.07
_refine_diff_density_max         2.404
_refine_diff_density_min         -2.858
_refine_diff_density_rms         0.206
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.171
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     415
_refine_ls_number_reflns         5308
_refine_ls_number_restraints     13
_refine_ls_restrained_S_all      1.169
_refine_ls_R_factor_all          0.1222
_refine_ls_R_factor_gt           0.0948
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+28.9464P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1458
_refine_ls_wR_factor_ref         0.1547
_reflns_Friedel_coverage         0
_reflns_number_gt                4436
_reflns_number_total             5308
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8tc06630b2.cif
_cod_data_source_block           DyCo1aq
_cod_database_code               7237631
_shelx_estimated_absorpt_t_min   0.658
_shelx_estimated_absorpt_t_max   0.815