Crystallography Open Database

Information card for entry 4330096

Preview

Coordinates	4330096.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	99325
Formula	C44 H52 Co K O4
Calculated formula	C44 H52 Co K O4
Title of publication	Naphthalene and Anthracene Cobaltates(1-): Useful Storable Sources of an Atomic Cobalt Anion
Authors of publication	William W. Brennessel; John E. Ellis
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	9076 - 9094
a	20.17 ± 0.002 Å
b	16.421 ± 0.002 Å
c	13.2241 ± 0.0015 Å
α	90°
β	120.527 ± 0.002°
γ	90°
Cell volume	3772.9 ± 0.7 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
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	0.0561
Residual factor for significantly intense reflections	0.0476
Weighted residual factors for significantly intense reflections	0.1343
Weighted residual factors for all reflections included in the refinement	0.141
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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
179403 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/00.	4330096.cif
79343	2013-04-04	cif/ Adding structures of 4330096 via cif-deposit CGI script.	4330096.cif