Crystallography Open Database

Information card for entry 7009815

Preview

Coordinates	7009815.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54.5 H66.5 Cl11.5 N2 O2 P2 Ru2
Calculated formula	C54.5 H56.5 Cl11.5 N2 O2 P2 Ru2
Title of publication	The synthesis and co-ordination chemistry of new functionalised pyridylphosphines derived from Ph2PCH2OH †
Authors of publication	Durran, Sean E.; Smith, Martin B.; Slawin, Alexandra M. Z.; Steed, Jonathan W.
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2000
Journal issue	16
Pages of publication	2771
a	11.2902 ± 0.0003 Å
b	13.6623 ± 0.0004 Å
c	21.4044 ± 0.0007 Å
α	93.695 ± 0.002°
β	104.682 ± 0.002°
γ	101.304 ± 0.002°
Cell volume	3109.12 ± 0.17 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0759
Residual factor for significantly intense reflections	0.0594
Weighted residual factors for significantly intense reflections	0.1427
Weighted residual factors for all reflections included in the refinement	0.1515
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	7009815.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7009815.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7009815.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7009815.cif