Crystallography Open Database

Information card for entry 4512510

Preview

Coordinates	4512510.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H36 Cl2 F3 N3 O7 P Re S
Calculated formula	C39.999 H35.998 Cl1.998 F3 N3 O7 P 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	12.089 ± 0.0019 Å
b	9.0476 ± 0.0014 Å
c	36.982 ± 0.006 Å
α	90°
β	91.534 ± 0.002°
γ	90°
Cell volume	4043.5 ± 1.1 Å³
Cell temperature	177 ± 2 K
Ambient diffraction temperature	177 ± 2 K
Number of distinct elements	9
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	0.0266
Residual factor for significantly intense reflections	0.0214
Weighted residual factors for significantly intense reflections	0.0498
Weighted residual factors for all reflections included in the refinement	0.0522
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179672 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/25.	4512510.cif
132750	2015-03-04	cif/ Updating files of 4512510, 4512511 Original log message: Adding full bibliography for 4512510--4512511.cif.	4512510.cif
129093	2014-12-30	cif/ Adding structures of 4512510, 4512511 via cif-deposit CGI script.	4512510.cif