Crystallography Open Database

Information card for entry 7010033

Preview

Coordinates	7010033.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H36 Ni O9 P2 Ru5 S2
Calculated formula	C47 H36 Ni O9 P2 Ru5 S2
Title of publication	Reactions of nickelocene with an Ru5 cluster: crystal structures of two nickel‒ruthenium clusters containing C2 ligands
Authors of publication	Adams, Chris J.; Bruce, Michael I.; Halet, Jean-François; Kahlal, Samia; Skelton, Brian W.; White, Allan H.
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2001
Journal issue	4
Pages of publication	414
a	10.909 ± 0.001 Å
b	38.87 ± 0.004 Å
c	12.001 ± 0.001 Å
α	90°
β	98.577 ± 0.002°
γ	90°
Cell volume	5031.9 ± 0.8 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.055
Residual factor for significantly intense reflections	0.051
Weighted residual factors for all reflections	0.035
Weighted residual factors for all reflections included in the refinement	0.035
Goodness-of-fit parameter for all reflections	2.102
Goodness-of-fit parameter for all reflections included in the refinement	2.291
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	Mo-Kα
Has coordinates	Yes
Has disorder	No
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.	7010033.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7010033.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7010033.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7010033.cif