Crystallography Open Database

Information card for entry 7000367

Preview

Coordinates	7000367.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H20 N2 O12 W2
Calculated formula	C26 H20 N2 O12 W2
SMILES	[W](=C(c1ccc(n1C)c1ccc(C(=[W](C#[O])(C#[O])(C#[O])(C#[O])C#[O])OCC)n1C)OCC)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
Title of publication	Synthesis and reactivity of metal carbene complexes with heterobiaryl spacer substituents
Authors of publication	Lotz, Simon; Crause, Chantelle; Olivier, Andrew J.; Liles, David C.; Görls, Helmar; Landman, Marilé; Bezuidenhout, Daniela I.
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	4
Pages of publication	697
a	17.7003 ± 0.0006 Å
b	12.5957 ± 0.0004 Å
c	13.4575 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	3000.32 ± 0.15 Å³
Cell temperature	183 ± 2 K
Ambient diffraction temperature	183 ± 2 K
Number of distinct elements	5
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.0445
Residual factor for significantly intense reflections	0.0313
Weighted residual factors for significantly intense reflections	0.0663
Weighted residual factors for all reflections included in the refinement	0.0709
Goodness-of-fit parameter for all reflections included in the refinement	1.054
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7000367.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7000367.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7000367.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7000367.cif