Crystallography Open Database

Information card for entry 4339925

Preview

Coordinates	4339925.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H62 N12 O6.25 P4 Ru
Calculated formula	C24 H62 N12 O6.25 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	10.8018 ± 0.0002 Å
b	15.77 ± 0.0002 Å
c	21.683 ± 0.0003 Å
α	90°
β	97.66°
γ	90°
Cell volume	3660.62 ± 0.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.0573
Residual factor for significantly intense reflections	0.0345
Weighted residual factors for significantly intense reflections	0.0683
Weighted residual factors for all reflections included in the refinement	0.077
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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
179502 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/99.	4339925.cif
117618	2014-06-15	cif/ Adding structures of 4339924, 4339925 via cif-deposit CGI script.	4339925.cif