Crystallography Open Database

Information card for entry 1518139

Preview

Coordinates	1518139.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H60 Cu3 K N8 O54 Ru Si W11
Calculated formula	C40 H32 Cu3 K N8 O53.99 Ru0.96 Si W11.04
Title of publication	Merging of the photocatalysis and copper catalysis in metal‒organic frameworks for oxidative C‒C bond formation
Authors of publication	Shi, Dongying; He, Cheng; Qi, Bo; Chen, Cong; Niu, Jingyang; Duan, Chunying
Journal of publication	Chem. Sci.
Year of publication	2015
Journal volume	6
Journal issue	2
Pages of publication	1035
a	24.415 ± 0.003 Å
b	24.415 ± 0.003 Å
c	15.337 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	9142 ± 3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	9
Space group number	113
Hermann-Mauguin space group symbol	P -4 21 m
Hall space group symbol	P -4 2ab
Residual factor for all reflections	0.1156
Residual factor for significantly intense reflections	0.0509
Weighted residual factors for significantly intense reflections	0.1256
Weighted residual factors for all reflections included in the refinement	0.1708
Goodness-of-fit parameter for all reflections included in the refinement	0.972
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1518139.cif
133093	2015-03-06	cif/ Updating files of 1518139, 1518140 Original log message: Adding full bibliography for 1518139--1518140.cif.	1518139.cif
126066	2014-10-31	cif/ Adding structures of 1518139, 1518140 via cif-deposit CGI script.	1518139.cif