Crystallography Open Database

Information card for entry 4340413

Preview

Coordinates	4340413.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H40 Br Na4 O30 P4 Ru2
Calculated formula	C4 H40 Br Na4 O30 P4 Ru2
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	7.6568 ± 0.0013 Å
b	10.952 ± 0.002 Å
c	11.547 ± 0.002 Å
α	61.811 ± 0.003°
β	88.648 ± 0.004°
γ	77.057 ± 0.004°
Cell volume	828 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.1258
Residual factor for significantly intense reflections	0.0543
Weighted residual factors for significantly intense reflections	0.0887
Weighted residual factors for all reflections included in the refinement	0.1059
Goodness-of-fit parameter for all reflections included in the refinement	0.685
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.	4340413.cif
119837	2014-07-09	cif/ Adding structures of 4340412, 4340413, 4340414, 4340415 via cif-deposit CGI script.	4340413.cif