New series of hybrid fluoroferrates synthesized with triazoles: various dimensionalities and Mössbauer studies.
Smida, Mouna; Lhoste, Jérôme; Pimenta, Vanessa; Hémon-Ribaud, Annie; Jouffret, Laurent; Leblanc, Marc; Dammak, Mohamed; Grenèche, Jean-Marc; Maisonneuve, Vincent; Dalton transactions (Cambridge, England : 2003) 42 (2013) 15748–15755; doi:10.1039/c3dt51812d

data_7023703
_publ_section_title
;
 New series of hybrid fluoroferrates synthesized with triazoles: various
 dimensionalities and M\"ossbauer studies.
;
_journal_issue                   44
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              15748
_journal_page_last               15755
_journal_paper_doi               10.1039/c3dt51812d
_journal_volume                  42
_journal_year                    2013
_chemical_formula_moiety         'C2 H3 F5 Fe2 N3'
_chemical_formula_sum            'C2 H3 F5 Fe2 N3'
_chemical_formula_weight         275.77
_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'
_cell_angle_alpha                90.00000
_cell_angle_beta                 90.00000
_cell_angle_gamma                90.00000
_cell_formula_units_Z            4
_cell_length_a                   9.1552(3)
_cell_length_b                   7.4896(2)
_cell_length_c                   9.4644(3)
_cell_measurement_temperature    296(2)
_cell_volume                     648.96(3)
_computing_structure_refinement  FULLPROF
_diffrn_ambient_temperature      296(2)
_diffrn_detector_type            ' XCelerator PANanalytical'
_diffrn_measurement_device_type  'Panalytical XPERT-PRO'
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.5418
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       0
_diffrn_source                   'X-ray tube'
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    2.822
_exptl_crystal_density_meas      ?
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.017001
_pd_meas_2theta_range_max        99.99300
_pd_meas_2theta_range_min        5.11600
_pd_meas_number_of_points        5582
_pd_proc_2theta_range_inc        0.017001
_pd_proc_2theta_range_max        99.8618
_pd_proc_2theta_range_min        4.9848
_pd_proc_ls_pref_orient_corr     ' ?'
_pd_proc_ls_prof_R_factor        1.5258
_pd_proc_ls_prof_wR_expected     1.8280
_pd_proc_ls_prof_wR_factor       2.0003
_pd_proc_wavelength              1.540510
_pd_spec_mounting                ' ?'
_refine_diff_density_min         -1.95
_refine_ls_hydrogen_treatment    refxyz
_refine_ls_number_parameters     66
_refine_ls_number_reflns         425
_refine_ls_number_restraints     0
_refine_ls_R_I_factor            3.0467
_reflns_number_total             200
_cod_data_source_file            c3dt51812d.txt
_cod_data_source_block           FeF5Htaz
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Orthorhombic' changed to
'orthorhombic' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 

The following automatic conversions were performed:

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

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_cell_volume        648.97(4)
_cod_database_code               7023703
_pd_proc_ls_prof_cr_factor       14.2800
_pd_proc_ls_prof_cwr_factor      8.8686
_pd_proc_ls_prof_cwr_expected    8.1043
_pd_proc_ls_prof_chi2            1.1975
_pd_proc_ls_prof_echi2           1.2381