Coexistence of metamagnetism and slow relaxation of magnetization in ammonium hexafluoridorhenate
Louis-Jean, James; Balasekaran, Samundeeswari M.; Lawler, Keith V.; Sanchis-Perucho, Adrián; Martínez-Lillo, José; Smith, Dean; Forster, Paul M.; Salamat, Ashkan; Poineau, Frederic; RSC Advances 11 (2021) 6353–6360; doi:10.1039/D0RA10325J

data_7242227
_publ_section_title
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 Coexistence of metamagnetism and slow relaxation of magnetization in
 ammonium hexafluoridorhenate
;
_journal_issue                   11
_journal_name_full               'RSC Advances'
_journal_page_first              6353
_journal_page_last               6360
_journal_paper_doi               10.1039/D0RA10325J
_journal_volume                  11
_journal_year                    2021
_chemical_formula_moiety         'F6 Re, 2(N)'
_chemical_formula_sum            'F6 N2 Re'
_chemical_formula_weight         328.22
_chemical_name_common            (NH4)2[ReF6]
_chemical_name_systematic        'Ammonium Hexafluoridorhenate(IV)'
_space_group_crystal_system      trigonal
_space_group_IT_number           164
_space_group_name_Hall           '-P 3 2"'
_space_group_name_H-M_alt        'P -3 m 1'
_audit_update_record
;
2019-11-01 deposited with the CCDC.	2021-01-27 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   6.0150(10)
_cell_length_b                   6.0150(10)
_cell_length_c                   4.6800(10)
_cell_measurement_reflns_used    112
_cell_measurement_temperature    127.(2)
_cell_measurement_theta_max      33.5148
_cell_measurement_theta_min      3.8561
_cell_volume                     146.64(5)
_computing_cell_refinement       'APEX3 v2016.5-0 (Bruker AXS)'
_computing_data_reduction        'SAINT V8.37A (Bruker AXS Inc., 2015)'
_computing_molecular_graphics    'shelXle (C.B. Huebschle, rev 786)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXT-2014/5 (Sheldrick, 2015)'
_diffrn_ambient_temperature      127.(2)
_diffrn_detector_area_resol_mean 8.3333
_diffrn_measured_fraction_theta_full 0.964
_diffrn_measured_fraction_theta_max 0.964
_diffrn_measurement_device_type  'Bruker D8 QUEST diffractometer'
_diffrn_measurement_method       ' '\f and \w scans''
_diffrn_radiation_monochromator  'curved graphite'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0533
_diffrn_reflns_av_unetI/netI     0.0219
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       6
_diffrn_reflns_limit_l_min       -6
_diffrn_reflns_number            1939
_diffrn_reflns_theta_full        30.64
_diffrn_reflns_theta_max         30.64
_diffrn_reflns_theta_min         3.91
_diffrn_source                   'sealed tube'
_exptl_absorpt_coefficient_mu    20.764
_exptl_absorpt_correction_T_max  0.22
_exptl_absorpt_correction_T_min  0.06
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
Krause, L.; Herbst-Irmer, R.; Sheldrick, G. M.; Stalke, D. (2015). J. Appl.
Cryst. 48, 3-10.
;
_exptl_crystal_colour            'translucent colourless'
_exptl_crystal_density_diffrn    3.717
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       polyhedron
_exptl_crystal_F_000             143
_exptl_crystal_preparation       'Magnetic properties'
_exptl_crystal_size_max          0.319
_exptl_crystal_size_mid          0.140
_exptl_crystal_size_min          0.106
_refine_diff_density_max         2.638
_refine_diff_density_min         -2.899
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.457
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     12
_refine_ls_number_reflns         186
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.457
_refine_ls_R_factor_all          0.0282
_refine_ls_R_factor_gt           0.0282
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0336P)^2^+1.2468P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0764
_refine_ls_wR_factor_ref         0.0764
_reflns_number_gt                186
_reflns_number_total             186
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0ra10325j2.cif
_cod_data_source_block           SMB_NH2ReF6_HF
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'Multi-Scan' was
changed to 'multi-scan' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/current/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 
;
_cod_original_cell_volume        146.64(6)
_cod_database_code               7242227
_shelx_res_checksum              46699