Crystallography Open Database

Information card for entry 7027767

Preview

Coordinates	7027767.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54.5 H57 Cl N2 O2 P2 Ru
Calculated formula	C54.5 H57 Cl N2 O2 P2 Ru
Title of publication	Formation and structural properties of 1,1′,2,2′-tetra(tert-butylcarbamoyl)-ferrocene and -ruthenocene †
Authors of publication	Klaß, Katrin; Fröhlich, Roland; Erker, Gerhard
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	1999
Journal issue	24
Pages of publication	4457
a	11.511 ± 0.001 Å
b	13.315 ± 0.001 Å
c	18.735 ± 0.002 Å
α	70.27 ± 0.01°
β	73.87 ± 0.01°
γ	72.15 ± 0.01°
Cell volume	2523.6 ± 0.4 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1582
Residual factor for significantly intense reflections	0.0864
Weighted residual factors for significantly intense reflections	0.2214
Weighted residual factors for all reflections included in the refinement	0.2369
Goodness-of-fit parameter for all reflections included in the refinement	0.959
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.	7027767.cif
95755	2014-01-28	cif/ Adding structures of 7027767, 7027768, 7027769 via cif-deposit CGI script.	7027767.cif