Crystallography Open Database

Information card for entry 7030453

Preview

Coordinates	7030453.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H48 I N O2 P2 Ru S
Calculated formula	C50 H48 I N O2 P2 Ru S
Title of publication	Ruthenium(II) N,S-heterocyclic carbene complexes and transfer hydrogenation of ketones.
Authors of publication	Ding, Nini; Hor, T. S. Andy
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	42
Pages of publication	10179 - 10185
a	11.5401 ± 0.0016 Å
b	12.3535 ± 0.0017 Å
c	17.615 ± 0.003 Å
α	72.444 ± 0.002°
β	76.977 ± 0.002°
γ	69.123 ± 0.002°
Cell volume	2217.4 ± 0.6 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.03
Residual factor for significantly intense reflections	0.0269
Weighted residual factors for significantly intense reflections	0.0637
Weighted residual factors for all reflections included in the refinement	0.0658
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180010 (current)	2016-03-25	cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/04.	7030453.cif
112325	2014-04-30	cif/ Adding structures of 7030448, 7030449, 7030450, 7030451, 7030452, 7030453 via cif-deposit CGI script.	7030453.cif