Crystallography Open Database

Information card for entry 7233420

Preview

Coordinates	7233420.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H11 Cu N O5
Calculated formula	C10 H11 Cu N O5
Title of publication	Synthesis and structural characterisation of the copper MOF: STAM-NMe2
Authors of publication	McHugh, Lauren N.; Olivera Perez, Leonardo J.; Wheatley, Paul S.; Cordes, David B.; Slawin, Alexandra M. Z.; Morris, Russell E.
Journal of publication	CrystEngComm
Year of publication	2019
Journal volume	21
Journal issue	36
Pages of publication	5387
a	18.5382 ± 0.0005 Å
b	18.5382 ± 0.0005 Å
c	6.7599 ± 0.0002 Å
α	90°
β	90°
γ	120°
Cell volume	2011.9 ± 0.1 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	5
Space group number	164
Hermann-Mauguin space group symbol	P -3 m 1
Hall space group symbol	-P 3 2"
Residual factor for all reflections	0.0565
Residual factor for significantly intense reflections	0.0367
Weighted residual factors for significantly intense reflections	0.0941
Weighted residual factors for all reflections included in the refinement	0.0992
Goodness-of-fit parameter for all reflections included in the refinement	1.124
Diffraction radiation probe	x-ray
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
223701 (current)	2019-11-07	cif/ Updating files of 7233420 Original log message: Adding full bibliography for 7233420.cif.	7233420.cif
217686	2019-08-24	cif/ Adding structures of 7233420 via cif-deposit CGI script.	7233420.cif