Crystallography Open Database

Information card for entry 2311623

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Coordinates	2311623.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H44 N8 O14 Ru S
Calculated formula	C26 H24 N8 O14 Ru S
Title of publication	Structures of ruthenium-modified Pseudomonas aeruginosa azurin and [Ru(2,2'-bipyridine)2(imidazole)2]SO4 x 10H2O.
Authors of publication	Faham, S.; Day, M. W.; Connick, W. B.; Crane, B. R.; Di Bilio, A. J.; Schaefer, W. P.; Rees, D. C.; Gray, H. B.
Journal of publication	Acta crystallographica. Section D, Biological crystallography
Year of publication	1999
Journal volume	55
Journal issue	Pt 2
Pages of publication	379 - 385
a	13.23 ± 0.002 Å
b	18.197 ± 0.004 Å
c	16.126 ± 0.004 Å
α	90°
β	108.65 ± 0.02°
γ	90°
Cell volume	3678.4 ± 1.4 Å³
Cell temperature	297 K
Ambient diffraction temperature	297 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	0.0907
Residual factor for significantly intense reflections	0.0907
Weighted residual factors for all reflections	0.17
Weighted residual factors for significantly intense reflections	0.17
Goodness-of-fit parameter for all reflections	3.53
Goodness-of-fit parameter for significantly intense reflections	3.53
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
246037 (current)	2019-12-26	cif/ Adding structures of 2311623 via cif-deposit CGI script.	2311623.cif