Crystallography Open Database

Information card for entry 7227817

Preview

Coordinates	7227817.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C H7 Cu N3 O5
Calculated formula	C H7 Cu N3 O5
Title of publication	Three coordination frameworks with copper formate based low dimensional motifs: synthesis, structure and magnetic properties
Authors of publication	Bovill, Sally M.; Dixey, Richard J. C.; Saines, Paul J.
Journal of publication	CrystEngComm
Year of publication	2017
Journal volume	19
Journal issue	13
Pages of publication	1831
a	7.1767 ± 0.0003 Å
b	7.3661 ± 0.0004 Å
c	12.3418 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	652.44 ± 0.06 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	62
Hermann-Mauguin space group symbol	P m n b
Hall space group symbol	-P 2bc 2a
Residual factor for all reflections	0.0734
Residual factor for significantly intense reflections	0.0496
Weighted residual factors for significantly intense reflections	0.1366
Weighted residual factors for all reflections included in the refinement	0.1872
Goodness-of-fit parameter for all reflections included in the refinement	1.205
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
195024 (current)	2017-04-05	cif/ Updating files of 7227816, 7227817, 7227818 Original log message: Adding full bibliography for 7227816--7227818.cif.	7227817.cif
194113	2017-03-09	cif/ Adding structures of 7227816, 7227817, 7227818 via cif-deposit CGI script.	7227817.cif