A magnetisation and Mössbauer study of triazole (M1-x(2+)Mx(3+))M(3+)F5(Htaz)1-x(taz)x weberites (M = Fe, Co, Mn, Zn, Ga, V).
Albino, M.; Clark, L.; Lhoste, J.; Payen, C.; Grenèche, J-M; Lightfoot, P.; Maisonneuve, V.; Leblanc, M.; Dalton transactions (Cambridge, England : 2003) 46 (2017) 5352–5362; doi:10.1039/c7dt00587c

data_7042550
_publ_section_title
;
 A magnetisation and M\"ossbauer study of triazole
 (M1-x(2+)Mx(3+))M(3+)F5(Htaz)1-x(taz)x weberites (M = Fe, Co, Mn, Zn, Ga,
 V).
;
_journal_issue                   16
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5352
_journal_page_last               5362
_journal_paper_doi               10.1039/c7dt00587c
_journal_volume                  46
_journal_year                    2017
_chemical_formula_sum            'C2 F5 Fe1.17 Mn0.83 N3'
_chemical_formula_weight         271.99
_chemical_name_systematic        ' ?'
_space_group_IT_number           74
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-I 2b 2'
_symmetry_space_group_name_H-M   'I m m a'
_audit_update_record
;
2017-01-16 deposited with the CCDC.
2017-03-20 downloaded from the CCDC.
;
_cell_angle_alpha                90.00000
_cell_angle_beta                 90.00000
_cell_angle_gamma                90.00000
_cell_formula_units_Z            4
_cell_length_a                   9.2723(3)
_cell_length_b                   7.5057(2)
_cell_length_c                   9.5831(3)
_cell_measurement_temperature    296
_cell_volume                     666.94(3)
_computing_structure_refinement  FULLPROF
_diffrn_ambient_temperature      296(2)
_diffrn_measurement_device_type  'Xpert Panaltycal'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.017001
_pd_meas_2theta_range_max        99.99400
_pd_meas_2theta_range_min        5.11700
_pd_meas_number_of_points        5582
_pd_proc_2theta_range_inc        0.017001
_pd_proc_2theta_range_max        100.0307
_pd_proc_2theta_range_min        5.1537
_pd_proc_ls_pref_orient_corr     ' ?'
_pd_proc_ls_prof_R_factor        0.9659
_pd_proc_ls_prof_wR_expected     1.0743
_pd_proc_ls_prof_wR_factor       1.2667
_pd_proc_wavelength              1.540560
_pd_spec_mounting                ' ?'
_refine_ls_goodness_of_fit_all   1.1791
_refine_ls_number_parameters     60
_refine_ls_number_reflns         440
_refine_ls_number_restraints     0
_refine_ls_R_I_factor            4.6888
_cod_data_source_file            c7dt00587c2.cif
_cod_data_source_block           MnFeF5Htaz_1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Orthorhombic' changed to
'orthorhombic' 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 7042543--7042551.cif.
;
_cod_original_cell_volume        666.93(4)
_cod_database_code               7042550
_pd_proc_ls_prof_cr_factor       15.8470
_pd_proc_ls_prof_cwr_factor      8.5072
_pd_proc_ls_prof_cwr_expected    7.2147
_pd_proc_ls_prof_chi2            1.3904
_pd_proc_ls_prof_echi2           1.4682