Crystallography Open Database

Information card for entry 7242208

Preview

Coordinates	7242208.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Bis-tetra-n-butylammonium vanadium(iv)bis-hydroxyiminodiacetate
Formula	C40 H82 N4 O11 V
Calculated formula	C40 H82 N4 O11 V
Title of publication	Designing high energy density flow batteries by tuning active-material thermodynamics
Authors of publication	Pahari, Shyam K.; Gokoglan, Tugba Ceren; Visayas, Benjoe Rey B.; Woehl, Jennifer; Golen, James A.; Howland, Rachael; Mayes, Maricris L.; Agar, Ertan; Cappillino, Patrick J.
Journal of publication	RSC Advances
Year of publication	2021
Journal volume	11
Journal issue	10
Pages of publication	5432 - 5443
a	12.0215 ± 0.0012 Å
b	17.5162 ± 0.0017 Å
c	22.902 ± 0.002 Å
α	90°
β	95.183 ± 0.003°
γ	90°
Cell volume	4802.8 ± 0.8 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1026
Residual factor for significantly intense reflections	0.0797
Weighted residual factors for significantly intense reflections	0.212
Weighted residual factors for all reflections included in the refinement	0.2386
Goodness-of-fit parameter for all reflections included in the refinement	1.07
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
261335 (current)	2021-01-31	cif/ Adding structures of 7242205, 7242206, 7242207, 7242208 via cif-deposit CGI script.	7242208.cif