Consecutive one-/two-step relaxation transformations of single-molecule magnets via coupling dinuclear dysprosium compounds with chloride bridges.
Tian, Haiquan; Wang, Bao-Lin; Lu, Jing; Liu, Hou-Ting; Su, Jianhui; Li, Dacheng; Dou, Jianmin; Chemical communications (Cambridge, England) 54 (2018) 12105–12108; doi:10.1039/c8cc06699j

data_7122408
_publ_section_title
;
 Consecutive one-/two-step relaxation transformations of single-molecule
 magnets via coupling dinuclear dysprosium compounds with chloride
 bridges.
;
_journal_issue                   85
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              12105
_journal_page_last               12108
_journal_paper_doi               10.1039/c8cc06699j
_journal_volume                  54
_journal_year                    2018
_chemical_formula_sum            'C28 H26 Cl2 Dy2 N8 O8'
_chemical_formula_weight         998.47
_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   mixed
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_audit_update_record
;
2018-08-16 deposited with the CCDC.
2018-09-27 downloaded from the CCDC.
;
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_cell_measurement_reflns_used    4220
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.3852
_cell_measurement_theta_min      2.6986
_cell_volume                     1662.8(11)
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_collection       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 28.5714
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       '\w scans'
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_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0473
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_diffrn_reflns_limit_h_min       -11
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_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
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_diffrn_reflns_point_group_measured_fraction_full 0.996
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_diffrn_source                   'sealed tube'
_exptl_absorpt_coefficient_mu    4.680
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_exptl_absorpt_correction_T_min  0.8118
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            Orange
_exptl_crystal_density_diffrn    1.994
_exptl_crystal_description       Prism
_exptl_crystal_F_000             960
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_exptl_crystal_size_min          0.1000
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_refine_ls_number_reflns         5825
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_refine_ls_restrained_S_all      1.094
_refine_ls_R_factor_all          0.0634
_refine_ls_R_factor_gt           0.0509
_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^)+(0.0528P)^2^+5.6126P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1208
_refine_ls_wR_factor_ref         0.1274
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5017
_reflns_number_total             5825
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8cc06699j2.cif
_cod_data_source_block           1a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 

 Adding full bibliography for 7122408--7122410.cif.
;
_cod_database_code               7122408
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              7765