Crystallography Open Database

Information card for entry 7222284

Preview

Coordinates	7222284.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H130 Cu3 N6 O32
Calculated formula	C60 H90 Cu3 N6 O32
Title of publication	Can enantiomer ligands produce structurally distinct homochiral MOFs?
Authors of publication	Dubey, Mrigendra; Kumar, Ashish; Dhavale, Vishal M.; Kurungot, Sreekumar; Pandey, Daya Shankar
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	43
Pages of publication	8202
a	27.0118 ± 0.0002 Å
b	27.0118 ± 0.0002 Å
c	25.0254 ± 0.0003 Å
α	90°
β	90°
γ	120°
Cell volume	15813.2 ± 0.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	181
Hermann-Mauguin space group symbol	P 64 2 2
Hall space group symbol	P 64 2 (0 0 2)
Residual factor for all reflections	0.084
Residual factor for significantly intense reflections	0.0829
Weighted residual factors for significantly intense reflections	0.233
Weighted residual factors for all reflections included in the refinement	0.235
Goodness-of-fit parameter for all reflections included in the refinement	1.285
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
171055 (current)	2015-12-09	cif/ Updating files of 7222284, 7222285 Original log message: Adding full bibliography for 7222284--7222285.cif.	7222284.cif
158263	2015-09-24	cif/ Adding structures of 7222284, 7222285 via cif-deposit CGI script.	7222284.cif