Crystallography Open Database

Information card for entry 7028964

Preview

Coordinates	7028964.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H58 Cl4 N6 O4 Ru2
Calculated formula	C47.04 H58.056 Cl4 N6 O4 Ru2
Title of publication	Synthesis and catalytic alcohol oxidation and ketone transfer hydrogenation activity of donor-functionalized mesoionic triazolylidene ruthenium(ii) complexes.
Authors of publication	Delgado-Rebollo, Manuela; Canseco-Gonzalez, Daniel; Hollering, Manuela; Mueller-Bunz, Helge; Albrecht, Martin
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	11
Pages of publication	4462 - 4473
a	24.4639 ± 0.0002 Å
b	24.4639 ± 0.0002 Å
c	16.2815 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	9744.19 ± 0.16 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	130
Hermann-Mauguin space group symbol	P 4/n c c :2
Hall space group symbol	-P 4a 2ac
Residual factor for all reflections	0.0357
Residual factor for significantly intense reflections	0.0331
Weighted residual factors for significantly intense reflections	0.0686
Weighted residual factors for all reflections included in the refinement	0.0696
Goodness-of-fit parameter for all reflections included in the refinement	1.209
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
179995 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/89.	7028964.cif
105470	2014-03-12	cif/ Adding structures of 7028964, 7028965, 7028966, 7028967 via cif-deposit CGI script.	7028964.cif