Crystallography Open Database

Information card for entry 4335647

Preview

Coordinates	4335647.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H64 Li4 O6 Ru2
Calculated formula	C44 H64 Li4 O6 Ru2
Title of publication	Structure and Reactivity of Distanna[2]metallocenophanes of Ruthenium and Osmium
Authors of publication	Holger Braunschweig; Florian Hupp; Thomas Kramer; Julian Mager
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	9060 - 9065
a	9.964 ± 0.011 Å
b	10.737 ± 0.012 Å
c	11.29 ± 0.02 Å
α	101.23 ± 0.05°
β	98.6 ± 0.05°
γ	111.73 ± 0.04°
Cell volume	1067 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0422
Residual factor for significantly intense reflections	0.0325
Weighted residual factors for significantly intense reflections	0.0698
Weighted residual factors for all reflections included in the refinement	0.0737
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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
179459 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/56.	4335647.cif
101582	2014-02-14	cif/ Adding structures of 4335647 via cif-deposit CGI script.	4335647.cif