Crystallography Open Database

Information card for entry 7005564

Preview

Coordinates	7005564.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H25 Ag Cl2 N2 O20 Os6
Calculated formula	C41 H25 Ag Cl2 N2 O20 Os6
SMILES	c1n(cc[n+]1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.[Cl]1[Os]23(C#[O])([Ag]4([Os]56([Cl][Os]45(C#[O])(C#[O])(C#[O])[Os]6(C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])[Os]12(C#[O])(C#[O])(C#[O])[Os]3(C#[O])(C#[O])(C#[O])C#[O])(C#[O])C#[O]
Title of publication	Non-classical NHC transfers from the reaction of (IMes)AgCl with osmium carbonyl clusters.
Authors of publication	Cooke, Craig E.; Ramnial, Taramatee; Jennings, Michael C.; Pomeroy, Roland K.; Clyburne, Jason A. C.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2007
Journal issue	18
Pages of publication	1755 - 1758
a	14.5755 ± 0.0008 Å
b	21.6908 ± 0.0016 Å
c	17.6188 ± 0.0011 Å
α	90°
β	106.714 ± 0.003°
γ	90°
Cell volume	5334.9 ± 0.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
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	0.1404
Residual factor for significantly intense reflections	0.0737
Weighted residual factors for significantly intense reflections	0.1721
Weighted residual factors for all reflections included in the refinement	0.2044
Goodness-of-fit parameter for all reflections included in the refinement	1.01
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
179759 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/55.	7005564.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7005564.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7005564.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.	7005564.cif
1186	2010-06-03	Adding CIFs from Chem-Comm-2010_20-22/ and Dalton-Trans-2007/ processing.	7005564.cif