Crystallography Open Database

Information card for entry 4339924

Preview

Coordinates	4339924.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25.5 H48 Cl2 N12 O2 P4 Ru
Calculated formula	C25.5 H48 Cl2 N12 O2 P4 Ru
Title of publication	Isomerization of trans-[Ru(PTA)4Cl2] to cis-[Ru(PTA)4Cl2] in water and organic solvent: revisiting the chemistry of [Ru(PTA)4Cl2].
Authors of publication	Mebi, Charles A.; Frost, Brian J.
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	17
Pages of publication	7115 - 7120
a	19.0404 ± 0.0018 Å
b	13.3413 ± 0.0012 Å
c	13.7702 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	3498 ± 0.6 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	7
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0936
Residual factor for significantly intense reflections	0.054
Weighted residual factors for significantly intense reflections	0.0941
Weighted residual factors for all reflections included in the refinement	0.1042
Goodness-of-fit parameter for all reflections included in the refinement	0.826
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4339924.cif
117618	2014-06-15	cif/ Adding structures of 4339924, 4339925 via cif-deposit CGI script.	4339924.cif