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_4343373
_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            'C70 H71.5 Gd2 N7 Na2 O17.25'
_chemical_formula_weight         1647.32
_chemical_name_systematic
; 
 ? 
;
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   mixed
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_cell_angle_alpha                90
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_cell_angle_gamma                90
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_cell_length_b                   17.7292(9)
_cell_length_c                   22.5460(13)
_cell_measurement_reflns_used    9874
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      23.29
_cell_measurement_theta_min      2.30
_cell_volume                     7268.5(7)
_computing_cell_refinement       'APEX II, Bruker (2009)'
_computing_data_collection       'APEX II, Bruker (2009)'
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_computing_molecular_graphics    'SHELXTL, Bruker (2004)'
_computing_publication_material  'SHELXTL, Bruker (2004)'
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_computing_structure_solution    'SHELXS-03 (Sheldrick, 2003)'
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 0.797
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_unetI/netI     0.0397
_diffrn_reflns_Laue_measured_fraction_full 0.797
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_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            85890
_diffrn_reflns_point_group_measured_fraction_full 0.797
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_diffrn_reflns_theta_max         23.420
_diffrn_reflns_theta_min         1.604
_exptl_absorpt_coefficient_mu    1.892
_exptl_absorpt_correction_T_max  0.7449
_exptl_absorpt_correction_T_min  0.6787
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS, Bruker (2003)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.505
_exptl_crystal_density_meas      ?
_exptl_crystal_description       block
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_refine_ls_restrained_S_all      1.015
_refine_ls_R_factor_all          0.0520
_refine_ls_R_factor_gt           0.0363
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0548P)^2^+3.3032P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0923
_refine_ls_wR_factor_ref         0.0982
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8415
_reflns_number_total             10487
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ic5b00343_si_004.cif
_cod_data_source_block           mm262
_cod_depositor_comments
;
The following automatic conversions were performed:

'_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_formula_sum        'C70 H71.50 Gd2 N7 Na2 O17.25'
_cod_database_code               4343373
_shelx_estimated_absorpt_t_min   0.805
_shelx_estimated_absorpt_t_max   0.848
_shelxl_version_number           2013-4
_shelx_res_checksum              12223
_shelx_hkl_checksum              76128