Crystallography Open Database

Information card for entry 4512511

Preview

Coordinates	4512511.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H46 F3 N2 O7 P2 Re S
Calculated formula	C55 H46 F3 N2 O7 P2 Re S
Title of publication	Bioinspired Complex-Nanoparticle Hybrid Catalyst System for Aqueous Perchlorate Reduction: Rhenium Speciation and Its Influence on Catalyst Activity
Authors of publication	Liu, Jinyong; Choe, Jong Kwon; Wang, Yin; Shapley, John R.; Werth, Charles J.; Strathmann, Timothy J.
Journal of publication	ACS Catalysis
Year of publication	2015
Journal volume	5
Journal issue	2
Pages of publication	511
a	11.209 ± 0.0004 Å
b	11.6194 ± 0.0004 Å
c	37.5809 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	4894.6 ± 0.3 Å³
Cell temperature	183 K
Ambient diffraction temperature	183 K
Number of distinct elements	8
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0348
Residual factor for significantly intense reflections	0.0329
Weighted residual factors for significantly intense reflections	0.0825
Weighted residual factors for all reflections included in the refinement	0.0843
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4512511.cif
132750	2015-03-04	cif/ Updating files of 4512510, 4512511 Original log message: Adding full bibliography for 4512510--4512511.cif.	4512511.cif
129093	2014-12-30	cif/ Adding structures of 4512510, 4512511 via cif-deposit CGI script.	4512511.cif