Crystallography Open Database

Information card for entry 7011821

Preview

Coordinates	7011821.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H11 Co5 Mo2 O12
Calculated formula	C24 H11 Co5 Mo2 O12
SMILES	[Mo]123456789%10([Mo]%11%12%13%14%15%16%17%18%19%20([Co]%21%221([Co]1%232%11([Co]2%11%12([Co]%123%13([Co]4%14([CH]9%19%21)(C%12=O)(C#[O])C#[O])([C]%10%2012)(C%11=O)C#[O])(C%23=O)(C#[O])C#[O])(C%22=O)C#[O])(C#[O])C#[O])[cH]1[cH]%15[cH]%16[cH]%17[cH]%181)[cH]1[cH]8[cH]7[cH]6[cH]51
Title of publication	Alkyne scission in cobalt‒molybdenum clusters: synthesis and structures of hexa- and heptanuclear alkylidyne clusters with unusual architectures
Authors of publication	Adams, Harry; Guio, Laurence V. Y.; Morris, Michael J.; Spey, Sharon E.
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2002
Journal issue	14
Pages of publication	2907
a	10.6072 ± 0.001 Å
b	16.1964 ± 0.0016 Å
c	16.4925 ± 0.0016 Å
α	99.395 ± 0.002°
β	92.574 ± 0.002°
γ	92.924 ± 0.002°
Cell volume	2787.7 ± 0.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0635
Residual factor for significantly intense reflections	0.0377
Weighted residual factors for significantly intense reflections	0.0685
Weighted residual factors for all reflections included in the refinement	0.0749
Goodness-of-fit parameter for all reflections included in the refinement	0.917
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
179822 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/18.	7011821.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7011821.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7011821.cif
5312	2011-01-03	cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version.	7011821.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7011821.cif