Crystallography Open Database

Information card for entry 2300502

Preview

Coordinates	2300502.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H15 Co N2 O7
Calculated formula	C13 H15 Co N2 O7
Title of publication	A versatile environmental control cell for <i>in situ</i> guest exchange single-crystal diffraction
Authors of publication	Cox, Jordan M.; Walton, Ian M.; Benson, Cassidy A.; Chen, Yu-Sheng; Benedict, Jason B.
Journal of publication	Journal of Applied Crystallography
Year of publication	2015
Journal volume	48
Journal issue	2
Pages of publication	578 - 581
a	12.6105 ± 0.0006 Å
b	7.6858 ± 0.0003 Å
c	15.9256 ± 0.0007 Å
α	90°
β	106.541 ± 0.001°
γ	90°
Cell volume	1479.66 ± 0.11 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0933
Residual factor for significantly intense reflections	0.0872
Weighted residual factors for significantly intense reflections	0.2223
Weighted residual factors for all reflections included in the refinement	0.2344
Goodness-of-fit parameter for all reflections included in the refinement	1.221
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.41328 Å
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176809 (current)	2016-02-21	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2.	2300502.cif
134356	2015-03-25	cif/ hkl/ Adding structures of 2300502 via cif-deposit CGI script.	2300502.cif