Slow Magnetic Relaxation Observed in Dysprosium Compounds Containing Unsupported Near-Linear Hydroxo- and Fluoro-Bridges.
Brunet, Gabriel; Habib, Fatemah; Korobkov, Ilia; Murugesu, Muralee; Inorganic chemistry 54 (2015) 6195–6202; doi:10.1021/acs.inorgchem.5b00343

data_4343375
_publ_section_title
;
 Slow Magnetic Relaxation Observed in Dysprosium Compounds Containing
 Unsupported Near-Linear Hydroxo- and Fluoro-Bridges.
;
_journal_issue                   13
_journal_name_full               'Inorganic chemistry'
_journal_page_first              6195
_journal_page_last               6202
_journal_paper_doi               10.1021/acs.inorgchem.5b00343
_journal_volume                  54
_journal_year                    2015
_chemical_formula_sum            'C42.5 H58 Cl2 Dy2 F3 N6 Na3 O11.5'
_chemical_formula_weight         1358.82
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_symmetry_space_group_name_Hall  '-P 1'
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_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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_cell_formula_units_Z            2
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_cell_length_c                   15.9818(5)
_cell_measurement_reflns_used    9977
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      28.32
_cell_measurement_theta_min      2.47
_cell_volume                     3052.86(19)
_computing_cell_refinement       'APEX II, Bruker (2009)'
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_computing_molecular_graphics    'SHELXTL, Bruker (2004)'
_computing_publication_material  'SHELXTL, Bruker (2004)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
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_diffrn_reflns_theta_full        28.33
_diffrn_reflns_theta_max         28.33
_diffrn_reflns_theta_min         1.76
_exptl_absorpt_coefficient_mu    2.599
_exptl_absorpt_correction_T_max  0.7811
_exptl_absorpt_correction_T_min  0.6663
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS, Bruker (2003)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.478
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
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_refine_ls_extinction_method     none
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_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.053
_refine_ls_R_factor_all          0.0895
_refine_ls_R_factor_gt           0.0601
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0857P)^2^+14.2544P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1462
_refine_ls_wR_factor_ref         0.1661
_reflns_number_gt                10750
_reflns_number_total             14965
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic5b00343_si_003.cif
_cod_data_source_block           mm229
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

'_exptl_crystal_density_meas' value 'n/a' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3271 2015-04-21 07:52:19Z andrius 

 Adding full bibliography for 4343373--4343375.cif.
;
_cod_original_cell_volume        3052.86(17)
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C42.50 H58 Cl2 Dy2 F3 N6 Na3 O11.50'
_cod_database_code               4343375