Crystallography Open Database

Information card for entry 4085593

Preview

Coordinates	4085593.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H58 Cl2 N4 O5
Calculated formula	C40 H58 Cl2 N4 O5
Title of publication	New Structural Motifs Resulting from Internal Constraints in Chelating Bis(NHC) Ligands: A Dinuclear Ruthenium(II) Complex Featuring an η2-Arene Binding Mode and a Remarkable New Tetrameric Silver(I) Halide Form
Authors of publication	Simpson, Peter V.; Brown, David H.; Skelton, Brian W.; White, Allan H.; Baker, Murray V.
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	11
Pages of publication	2508
a	31.1544 ± 0.0015 Å
b	15.0002 ± 0.0008 Å
c	17.3313 ± 0.0008 Å
α	90°
β	98.312 ± 0.005°
γ	90°
Cell volume	8014.2 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.1171
Residual factor for significantly intense reflections	0.061
Weighted residual factors for significantly intense reflections	0.1545
Weighted residual factors for all reflections included in the refinement	0.1821
Goodness-of-fit parameter for all reflections included in the refinement	0.97
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
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.	4085593.cif
152896	2015-08-05	cif/ Updating files of 4085592, 4085593, 4085594 Original log message: Adding full bibliography for 4085592--4085594.cif.	4085593.cif
133736	2015-03-10	cif/ Adding structures of 4085592, 4085593, 4085594 via cif-deposit CGI script.	4085593.cif