Crystallography Open Database

Information card for entry 7111216

Preview

Coordinates	7111216.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	02src088
Formula	C42.5 H53 N5 O
Calculated formula	C42.5 H53 N5 O
Title of publication	Stable N-functionalised ‘pincer’ bis carbene ligands and their ruthenium complexes; synthesis and catalytic studies
Authors of publication	Danopoulos, Andreas A.; Winston, Scott; Motherwell, William B.
Journal of publication	Chemical Communications
Year of publication	2002
Journal issue	13
Pages of publication	1376
a	29.947 ± 0.002 Å
b	48.76 ± 0.004 Å
c	10.9022 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	15920 ± 2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.1287
Residual factor for significantly intense reflections	0.1115
Weighted residual factors for significantly intense reflections	0.2992
Weighted residual factors for all reflections included in the refinement	0.3259
Goodness-of-fit parameter for all reflections included in the refinement	1.337
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.	7111216.cif
96360	2014-01-29	cif/ Adding structures of 7111216, 7111217 via cif-deposit CGI script.	7111216.cif