Crystallography Open Database

Information card for entry 4330095

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Coordinates	4330095.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	01168
Formula	C51 H61 Co K O8
Calculated formula	C51 H61 Co K O8
SMILES	[Co]123456([CH]7=[CH]1[CH]2=[CH]3c1cc2ccccc2cc71)[CH]1=[CH]4[CH]5=[CH]6c2cc3ccccc3cc12.[K]123456([O](C)CC[O]1CC[O]2CC[O]3C)[O](C)CC[O]4CC[O]5CC[O]6C.c1cccc2cc3ccccc3cc12
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	12.5111 ± 0.0012 Å
b	28.183 ± 0.003 Å
c	14.0234 ± 0.0013 Å
α	90°
β	105.816 ± 0.002°
γ	90°
Cell volume	4757.5 ± 0.8 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0531
Residual factor for significantly intense reflections	0.032
Weighted residual factors for significantly intense reflections	0.0725
Weighted residual factors for all reflections included in the refinement	0.078
Goodness-of-fit parameter for all reflections included in the refinement	1.014
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	4330095.cif
79342	2013-04-04	cif/ Adding structures of 4330095 via cif-deposit CGI script.	4330095.cif