Crystallography Open Database

Information card for entry 1541518

Preview

Coordinates	1541518.cif

Structure parameters

Chemical name	(Na (C H3 O H)5)2 (Br8 (Mo (C H3 O))6)
Formula	C16 H58 Br8 Mo6 Na2 O16
Calculated formula	C16 H58 Br8 Mo6 Na2 O16
SMILES	CO[Mo]1234567[Mo]89%10%11%12%13([Mo]%14%15%16%173([Mo]3%18%19%201([Br]2%14)([Mo]1248([Mo]9%153([Br]%181)([Br]%112)([Br]%12%16)([Br]%17%20)OC)([Br]6%19)([Br]7%13)OC)OC)([Br]5%10)OC)OC.C[OH][Na]([OH]C)([OH]C)([OH]C)[OH]C.[Na]([OH]C)([OH]C)([OH]C)([OH]C)[OH]C
Title of publication	Molybdenum and tungsten methoxo clusters with differently bonded methoxo groups. Crystal structure of (Na (C H3 O H)5)2 (Mo6 (mue3-Br)8 (O C H3)6)
Authors of publication	Brnicevic, N.; Basic, I.; McCarley, R.E.; Hoxha, B.; Planinic, P.
Journal of publication	Polyhedron
Year of publication	2003
Journal volume	22
Pages of publication	1553 - 1559
a	10.811 Å
b	12.27 Å
c	10.776 Å
α	97.31°
β	119.36°
γ	95.42°
Cell volume	1215.21 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
172863 (current)	2016-01-03	cif/ Adding structures of 1541518 via cif-deposit CGI script.	1541518.cif