Crystallography Open Database

Information card for entry 4304911

Preview

Coordinates	4304911.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C124 H141 Cl2 N6 O63 P8 V12
Calculated formula	C124 H141 Cl2 N6 O63 P8 V12
Title of publication	Mixed-Valent Dodecanuclear Vanadium Cluster Encapsulating Chloride Anions and Its Reaction To Form a "Bowl"-Shaped Cluster
Authors of publication	Sanjit Konar; Abraham Clearfield
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	3492 - 3494
a	17.528 ± 0.011 Å
b	19.255 ± 0.012 Å
c	25.444 ± 0.015 Å
α	86.43 ± 0.011°
β	81.083 ± 0.01°
γ	78.355 ± 0.011°
Cell volume	8305 ± 9 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2076
Residual factor for significantly intense reflections	0.1353
Weighted residual factors for significantly intense reflections	0.3395
Weighted residual factors for all reflections included in the refinement	0.4024
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	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4304911.html