Crystallography Open Database

Information card for entry 7228287

Preview

Coordinates	7228287.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H124 N6 O30 V10
Calculated formula	C48 H120 N6 O30 V10
SMILES	C(CCCCCCC)[NH3+].C([NH3+])CCCCCCC.[NH3+]CCCCCCCC.O=[V]123O[V]456(=O)O[V]78(O1)(=O)O[V]19(O2)(=O)[O]2[V]%10%11%12(O3)O[V]3%13%14(O[V]%15%16(=O)O[V]%172(=O)(O3)[O]9[V]2([O]571%11)(O%16)([O]6[V]([O]4%10)(O%15)(O%13)(=O)[O]%12%14%172)O8)=O.O.C(CCCCCCC)[NH3+].C([NH3+])CCCCCCC.[NH3+]CCCCCCCC.O
Title of publication	Compositional introduction of lithium ions into conductive polyoxovanadate‒surfactant hybrid crystals
Authors of publication	Kiyota, Yoshiki; Taira, Minako; Otobe, Saki; Hanyuda, Koji; Naruke, Haruo; Ito, Takeru
Journal of publication	CrystEngComm
Year of publication	2017
a	20.882 ± 0.002 Å
b	18.186 ± 0.002 Å
c	10.2629 ± 0.0012 Å
α	90°
β	94.447 ± 0.004°
γ	90°
Cell volume	3885.7 ± 0.7 Å³
Cell temperature	193 K
Ambient diffraction temperature	193 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	0.0774
Residual factor for significantly intense reflections	0.0565
Weighted residual factors for significantly intense reflections	0.1396
Weighted residual factors for all reflections included in the refinement	0.1517
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
196889 (current)	2017-05-23	cif/ Adding structures of 7228286, 7228287 via cif-deposit CGI script.	7228287.cif