Crystallography Open Database

Information card for entry 7028496

Preview

Coordinates	7028496.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H85 K3 Mn2 N6 O98.5 P2 W23
Calculated formula	C24 H60 K3 Mn2 N6 O98.5 P2 W23
Title of publication	Complexation of metal carbonyl units with [α-PW11O39](7-) and [α2-P2W17O61](10-): insights into the chiral "twisted-sandwich" dimeric structures.
Authors of publication	Zhao, Chongchao; Glass, Elliot N.; Sumliner, Jordan M.; Bacsa, John; Kim, Daniel Taehyun; Guo, Weiwei; Hill, Craig L.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	10
Pages of publication	4040 - 4047
a	57.054 ± 0.008 Å
b	13.2708 ± 0.0018 Å
c	36.998 ± 0.005 Å
α	90°
β	127.936 ± 0.002°
γ	90°
Cell volume	22094 ± 5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173.15 K
Number of distinct elements	8
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0502
Residual factor for significantly intense reflections	0.0366
Weighted residual factors for significantly intense reflections	0.0798
Weighted residual factors for all reflections included in the refinement	0.0868
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7028496.cif
105344	2014-03-12	cif/ Adding structures of 7028494, 7028495, 7028496 via cif-deposit CGI script.	7028496.cif