Reductive transformation of V(iii) precursors into vanadium(ii) oxide nanowires.
Ojelere, Olusola; Graf, David; Ludwig, Tim; Vogt, Nicholas; Klein, Axel; Mathur, Sanjay; Dalton transactions (Cambridge, England : 2003) 47 (2018) 6842–6849; doi:10.1039/c8dt00848e

data_7046038
_publ_section_title
;
 Reductive transformation of V(iii) precursors into vanadium(ii) oxide
 nanowires.
;
_journal_issue                   19
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              6842
_journal_page_last               6849
_journal_paper_doi               10.1039/c8dt00848e
_journal_volume                  47
_journal_year                    2018
_chemical_formula_moiety         'C21 H12 F9 N6 O3 V'
_chemical_formula_sum            'C21 H12 F9 N6 O3 V'
_chemical_formula_weight         618.31
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_block_doi                 10.5517/ccdc.csd.cc1zbrdg
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2018-03-05 deposited with the CCDC.
2018-04-13 downloaded from the CCDC.
;
_cell_angle_alpha                73.757(15)
_cell_angle_beta                 88.851(15)
_cell_angle_gamma                66.864(14)
_cell_formula_units_Z            2
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_cell_length_b                   10.2431(19)
_cell_length_c                   14.555(3)
_cell_measurement_reflns_used    2000
_cell_measurement_temperature    170(2)
_cell_measurement_theta_max      29.682
_cell_measurement_theta_min      1.465
_cell_volume                     1251.6(5)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      170(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'IPDS 2T (Stoe & Cie)'
_diffrn_measurement_method       '\w and \f scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1641
_diffrn_reflns_av_unetI/netI     0.1295
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.985
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            24426
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.985
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.682
_diffrn_reflns_theta_min         1.465
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    0.500
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.641
_exptl_crystal_description       polyhedron
_exptl_crystal_F_000             616
_exptl_crystal_recrystallization_method Sublimation
_refine_diff_density_max         0.751
_refine_diff_density_min         -0.600
_refine_diff_density_rms         0.135
_refine_ls_extinction_coef       0.026(8)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_goodness_of_fit_ref   1.236
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     389
_refine_ls_number_reflns         6980
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.236
_refine_ls_R_factor_all          0.2513
_refine_ls_R_factor_gt           0.1362
_refine_ls_shift/su_max          0.028
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.2000P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3886
_refine_ls_wR_factor_ref         0.4433
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2727
_reflns_number_total             6980
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8dt00848e2.cif
_cod_data_source_block           shelx_CCDC2
_cod_depositor_comments
'Adding full bibliography for 7046036--7046038.cif.'
_cod_original_cell_volume        1251.6(4)
_cod_database_code               7046038
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              23663