Slow relaxation of magnetization in 3D-MOFs based on dysprosium dinuclear entities bridged by dicarboxylic linkers
Oyarzabal, Itziar; Fernández, Belén; Cepeda, Javier; Gómez-Ruiz, Santiago; Calahorro, Antonio J.; Seco, José M.; Rodríguez-Diéguez, Antonio; CrystEngComm 18 (2016) 3055–; doi:10.1039/C6CE00318D

data_7224610
_publ_section_title
;
 Slow relaxation of magnetization in 3D-MOFs based on dysprosium dinuclear
 entities bridged by dicarboxylic linkers
;
_journal_issue                   17
_journal_name_full               CrystEngComm
_journal_page_first              3055
_journal_paper_doi               10.1039/C6CE00318D
_journal_volume                  18
_journal_year                    2016
_chemical_formula_moiety         'C36 H46 Dy2 N10 O16'
_chemical_formula_sum            'C36 H46 Dy2 N10 O16'
_chemical_formula_weight         1199.83
_chemical_name_systematic
Poly[bis(mu4-2-diaminobenzene-1,4-dicarboxylato-kO:kO':kO'':kO''')(mu-2-diaminobenzene-1,4-dicarboxylato-k2O,O':k2O'',O''')tetra(dimethylformamide)didysprosium(III)]
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
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_audit_update_record
;
2016-02-03 deposited with the CCDC.
2016-03-14 downloaded from the CCDC.
;
_cell_angle_alpha                73.878(2)
_cell_angle_beta                 67.677(2)
_cell_angle_gamma                81.160(2)
_cell_formula_units_Z            1
_cell_length_a                   10.5851(4)
_cell_length_b                   10.7883(5)
_cell_length_c                   12.8727(8)
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_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.740
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_cell_volume                     1304.43(11)
_computing_cell_refinement
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CrysAlisPro, Agilent Technologies,
Version 1.171.35.15 (release 03-08-2011 CrysAlis171 .NET)
(compiled Aug  3 2011,13:03:54)
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_computing_data_collection
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CrysAlisPro, Agilent Technologies,
Version 1.171.35.15 (release 03-08-2011 CrysAlis171 .NET)
(compiled Aug  3 2011,13:03:54)
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_computing_data_reduction
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CrysAlisPro, Agilent Technologies,
Version 1.171.35.15 (release 03-08-2011 CrysAlis171 .NET)
(compiled Aug  3 2011,13:03:54)
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_computing_molecular_graphics    'Ortep-3 (Farrugia, 1997)'
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_computing_structure_solution    'Sir92 (Altomare et al., 1993)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 5.2012
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'SuperNova, Single source at offset, Atlas'
_diffrn_measurement_method       \w
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0472
_diffrn_reflns_av_unetI/netI     0.0349
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
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_diffrn_source                   'SuperNova (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    2.910
_exptl_absorpt_correction_T_max  0.846
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CrysAlisPro, Agilent Technologies,
Version 1.171.35.15 (release 03-08-2011 CrysAlis171 .NET)
(compiled Aug  3 2011,13:03:54)
Analytical numeric absorption correction using a multifaceted crystal
model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.527
_exptl_crystal_density_method    none
_exptl_crystal_description       'square plate'
_exptl_crystal_F_000             592
_exptl_crystal_size_max          0.19
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_platon_squeeze_details
;
;
_refine_diff_density_max         1.001
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_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.087
_refine_ls_R_factor_all          0.0278
_refine_ls_R_factor_gt           0.0234
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0222P)^2^+1.4744P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0549
_refine_ls_wR_factor_ref         0.0559
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6164
_reflns_number_total             6772
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c6ce00318d2.cif
_cod_data_source_block           gr255
_cod_depositor_comments
'Adding full bibliography for 7224610--7224612.cif.'
_cod_database_code               7224610
_shelxl_version_number           2014-3
_shelx_res_checksum              11648