Crystallography Open Database

Information card for entry 7009814

Preview

Coordinates	7009814.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H40 Cl2 N2 O4 P2 Ru
Calculated formula	C40 H40 Cl2 N2 O4 P2 Ru
SMILES	[Ru]12345(Cl)([P](CNc6ncccc6OP(=O)(Oc6ccccc6)Oc6ccccc6)(c6ccccc6)c6ccccc6)([c]6([cH]1[cH]2[c]3([cH]4[cH]56)C(C)C)C)Cl
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	7.3753 ± 0.0003 Å
b	12.8896 ± 0.0003 Å
c	20.6503 ± 0.0005 Å
α	106.031 ± 0.002°
β	99.091 ± 0.002°
γ	93.886 ± 0.002°
Cell volume	1850.19 ± 0.1 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	0.048
Residual factor for significantly intense reflections	0.0333
Weighted residual factors for significantly intense reflections	0.0657
Weighted residual factors for all reflections included in the refinement	0.0701
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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
179802 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/98.	7009814.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7009814.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7009814.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7009814.cif