Crystallography Open Database

Information card for entry 4343717

Preview

Coordinates	4343717.cif

Structure parameters

Chemical name	Na (H3 N (C H2)2 N H3)2.5 (V10 O28) (H2 O)5
Formula	C5 H35 N5 Na O33 V10
Calculated formula	C5 N5 Na O33 V10
SMILES	C(CN)N.C(N)CN.C(N)CN.[Na+].O1[V]234(=O)O[V]567(O[V]89%10%11O[V]%12%13%14(=O)O[V]%15%16%17(=O)[O]%18%199%13[V]([O]28)(O%12)(=O)([O]3[V]23%19(O%17)O[V]81(=O)(O5)O[V]1([O]2[V]%18(O%14)(=O)(O%16)[O]%101)(=O)([O]46%1138)O7)O%15)=O.O.O.O.O.O
Title of publication	Synthesis and characterisation of decavanadates: X-ray crystal structures of (H3 O)2 (M (H2 O)6)2 (V10 O28 H6) * 4(H2 O) (M = Co, Ni) and Na (H3 N (C H2)2 N H3)2.5 (V10 O28) * 5(H2 O)
Authors of publication	Ishaque Khan, M.; Tabussum, S.; Zheng, C.
Journal of publication	Synthesis and Reactivity in Inorganic and Metal-Organic Chemistry
Year of publication	2000
Journal volume	30
Pages of publication	1773 - 1790
a	10.5127 Å
b	10.6165 Å
c	15.683 Å
α	82.518°
β	78.564°
γ	78.841°
Cell volume	1675.47 Å³
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176429 (current)	2016-02-13	cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary.	4343717.cif
147639	2015-07-12	cif/ Adding structures of 4343717 via cif-deposit CGI script.	4343717.cif