Crystallography Open Database

Information card for entry 7011829

Preview

Coordinates	7011829.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H61 B Co N3 O1.5
Calculated formula	C60 H61 B Co N3 O1.5
Title of publication	Preparation of cationic cobalt phenoxide and ethoxide complexes and their reversible reaction with carbon dioxide
Authors of publication	Archibald, Stephen J.; Foxon, Simon P.; Freeman, Jonathan D.; Hobson, James E.; Perutz, Robin N.; Walton, Paul H.
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2002
Journal issue	14
Pages of publication	2797
a	11.053 ± 0.002 Å
b	15.812 ± 0.003 Å
c	16.503 ± 0.003 Å
α	65.866 ± 0.012°
β	86.349 ± 0.014°
γ	72.64 ± 0.014°
Cell volume	2506.6 ± 0.9 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2087
Residual factor for significantly intense reflections	0.0901
Weighted residual factors for significantly intense reflections	0.2216
Weighted residual factors for all reflections included in the refinement	0.251
Goodness-of-fit parameter for all reflections included in the refinement	0.972
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
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.	7011829.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7011829.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7011829.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7011829.cif