Crystallography Open Database

Information card for entry 7006425

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Coordinates	7006425.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H38 F3 O5 P3 Ru S
Calculated formula	C42 H38 F3 O5 P3 Ru S
SMILES	[Ru]1234([PH](O)O)([P](c5ccccc5)(c5ccccc5)c5ccccc5)([P](c5ccccc5)(c5ccccc5)c5ccccc5)[cH]5[cH]1[cH]2[cH]3[cH]45.S(=O)(=O)([O-])C(F)(F)F
Title of publication	Stabilization of the tautomers HP(OH)2 and P(OH)3 of hypophosphorous and phosphorous acids as ligands.
Authors of publication	Akbayeva, Dina N.; Di Vaira, Massimo; Costantini, Stefano Seniori; Peruzzini, Maurizio; Stoppioni, Piero
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2006
Journal issue	2
Pages of publication	389 - 395
a	12.243 ± 0.001 Å
b	15.03 ± 0.001 Å
c	21.803 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	4012 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0879
Residual factor for significantly intense reflections	0.0444
Weighted residual factors for significantly intense reflections	0.0976
Weighted residual factors for all reflections included in the refinement	0.1106
Goodness-of-fit parameter for all reflections included in the refinement	0.902
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179768 (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 7/00/64.	7006425.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7006425.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7006425.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7006425.cif