Crystallography Open Database

Information card for entry 4340414

Preview

Coordinates	4340414.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H24 K3 O22 P4 Ru2
Calculated formula	C4 H24 K3 O22 P4 Ru2
SMILES	[K+].[K+].O1[Ru]234([OH2])OP5(=O)C(C)(O)P(=O)(O[Ru]64(O5)(OP1(=O)C(C)(O)P(=O)(O2)O6)[OH2])O3.O.O.O.[K+].O.O.O
Title of publication	Syntheses, structures, and magnetic properties of mixed-valent diruthenium(II,III) diphosphonates with discrete and one-dimensional structures.
Authors of publication	Yi, Xiao-Yi; Liu, Bin; Jiménez-Aparicio, Reyes; Urbanos, Francisco A.; Gao, Song; Xu, Wei; Chen, Jie-Sheng; Song, You; Zheng, Li-Min
Journal of publication	Inorganic chemistry
Year of publication	2005
Journal volume	44
Journal issue	12
Pages of publication	4309 - 4314
a	9.4925 ± 0.0016 Å
b	14.476 ± 0.003 Å
c	9.7163 ± 0.0016 Å
α	90°
β	113.348 ± 0.003°
γ	90°
Cell volume	1225.8 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.1053
Residual factor for significantly intense reflections	0.0674
Weighted residual factors for significantly intense reflections	0.0842
Weighted residual factors for all reflections included in the refinement	0.093
Goodness-of-fit parameter for all reflections included in the refinement	1.075
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
179507 (current)	2016-03-23	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/04.	4340414.cif
119837	2014-07-09	cif/ Adding structures of 4340412, 4340413, 4340414, 4340415 via cif-deposit CGI script.	4340414.cif