Crystallography Open Database

Information card for entry 4508592

Preview

Coordinates	4508592.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H18 In N6 O12 Ru
Calculated formula	C36 In N6 O12 Ru
Title of publication	A Highly Symmetric Metal‒Organic Framework Based on a Propeller-Like Ru-Organic Metalloligand for Photocatalysis and Explosives Detection
Authors of publication	Zhang, Shuquan; Han, Liang; Li, Lina; Cheng, Jing; Yuan, Daqiang; Luo, Junhua
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	12
Pages of publication	5466
a	18.1674 ± 0.0001 Å
b	18.1674 ± 0.0001 Å
c	18.1674 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	5996.23 ± 0.06 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	225
Hermann-Mauguin space group symbol	F m -3 m
Hall space group symbol	-F 4 2 3
Residual factor for all reflections	0.0742
Residual factor for significantly intense reflections	0.0727
Weighted residual factors for significantly intense reflections	0.2373
Weighted residual factors for all reflections included in the refinement	0.2391
Goodness-of-fit parameter for all reflections included in the refinement	1.236
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179621 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/85.	4508592.cif
91625	2013-12-13	cif/ Adding structures of 4508592 via cif-deposit CGI script.	4508592.cif