Crystallography Open Database

Information card for entry 7202792

7202791 << 7202792 >> 7202793

Preview

Coordinates	7202792.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H34 Ag F6 N10 O4 P S2
Calculated formula	C22 H34 Ag F6 N10 O4 P S2
SMILES	C1(N(C=CN1CC(=O)N)c1ncccn1)=[Ag]=C1N(C=CN1CC(=O)N)c1ncccn1.[P](F)(F)(F)(F)(F)[F-].S(=O)(C)C.O=S(C)C
Title of publication	Rectangular architectures formed by acyclic diamido-metal-N-heterocyclic carbenes with skewed conformation
Authors of publication	Lee, Kwang-Ming; Chen, Jack C. C.; Huang, Chao-June; Lin, Ivan J. B.
Journal of publication	CrystEngComm
Year of publication	2007
Journal volume	9
Journal issue	4
Pages of publication	278
a	18.305 ± 0.002 Å
b	11.4053 ± 0.0013 Å
c	7.8859 ± 0.0009 Å
α	90°
β	91.556 ± 0.002°
γ	90°
Cell volume	1645.8 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	8
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	0.0893
Residual factor for significantly intense reflections	0.0468
Weighted residual factors for significantly intense reflections	0.1364
Weighted residual factors for all reflections included in the refinement	0.1675
Goodness-of-fit parameter for all reflections included in the refinement	1.065
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
180358 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/27.	7202792.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7202792.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7202792.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.	7202792.cif
1188	2010-06-06	cif/{1,7}/ Adding CIFs from Miguel-Quiros-2010_05, New-J-Chem-2007, Org-Biomol-Chem-2007 and RSC-2007 data extraction directories.	7202792.cif