Crystal structure of guanidinium hexafluoridovanadate(III), (CN~3~H~6~)~3~[VF~6~]: an unusual hybrid compound related to perovskite
Black, Cameron; Lightfoot, Philip; Acta Crystallographica Section C 73 (2017) 244–246; doi:10.1107/S2053229617001711

data_2020790
_publ_section_title
;
 Crystal structure of guanidinium hexafluoridovanadate(III),
 (CN~3~H~6~)~3~[VF~6~]: an unusual hybrid compound related to perovskite
;
_journal_coeditor_code           YF3116
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              244
_journal_page_last               246
_journal_paper_doi               10.1107/S2053229617001711
_journal_volume                  73
_journal_year                    2017
_chemical_formula_iupac          '(C H6 N3)3 [V F6]'
_chemical_formula_moiety         '3(C H6 N3 +), F6 V 3-'
_chemical_formula_sum            'C3 H18 F6 N9 V'
_chemical_formula_weight         345.20
_chemical_name_systematic
;
Triguanidinium hexafluoridovanadate(III)
;
_space_group_crystal_system      cubic
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_space_group_name_Hall           '-P 2ac 2ab 3'
_space_group_name_H-M_alt        'P a -3'
_symmetry_space_group_name_Hall  '-P 2ac 2ab 3'
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;
<i>CrystalClear-SM Expert</i> (Rigaku, 2014)
;
_computing_data_collection
;
<i>CrystalClear-SM Expert</i> (Rigaku, 2014)
;
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<i>CrystalClear-SM Expert</i> (Rigaku, 2014)
;
_computing_molecular_graphics
;
DIAMOND (Brandenburg, 2009)
;
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WinGX (Farrugia, 2012)
;
_computing_structure_refinement
;
SHELXL2014 (Sheldrick, 2015)
;
_diffrn_ambient_temperature      173(2)
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_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
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_refine_diff_density_min         -0.697
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_refine_ls_R_factor_all          0.0575
_refine_ls_R_factor_gt           0.0455
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0890P)^2^+0.3869P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     'I > 2\s(I)'
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