Crystallography Open Database

Information card for entry 7218888

Preview

Coordinates	7218888.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H6 Mg3 O12
Calculated formula	C6 H6 Mg3 O12
Title of publication	Enhanced gas-sorption properties of a high surface area, ultramicroporous magnesium formate
Authors of publication	Spanopoulos, I.; Bratsos, I.; Tampaxis, Ch.; Kourtellaris, A.; Tasiopoulos, A.; Charalambopoulou, G.; Steriotis, T. A.; Trikalitis, P. N.
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	3
Pages of publication	532
a	11.363 ± 0.0005 Å
b	9.895 ± 0.0005 Å
c	14.6054 ± 0.0008 Å
α	90°
β	91.441 ± 0.004°
γ	90°
Cell volume	1641.67 ± 0.14 Å³
Cell temperature	250 ± 2 K
Ambient diffraction temperature	250 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0553
Residual factor for significantly intense reflections	0.0443
Weighted residual factors for significantly intense reflections	0.0993
Weighted residual factors for all reflections included in the refinement	0.1043
Goodness-of-fit parameter for all reflections included in the refinement	1.002
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
180519 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/88.	7218888.cif
133189	2015-03-06	cif/ Updating files of 7218887, 7218888 Original log message: Adding full bibliography for 7218887--7218888.cif.	7218888.cif
127865	2014-11-25	cif/ Adding structures of 7218887, 7218888 via cif-deposit CGI script.	7218888.cif