Crystallography Open Database

Information card for entry 7117049

Preview

Coordinates	7117049.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H8 Mn N6 O4 S2
Calculated formula	C14 H8 Mn N6.86 O4 S2
Title of publication	Ground to conduct: mechanochemical synthesis of a metal-organic framework with high proton conductivity
Authors of publication	Dariusz Matoga; Marcin Oszajca; Marcin Molenda
Journal of publication	Chem.Commun.
Year of publication	2015
Journal volume	51
Pages of publication	7637
a	9.723 ± 0.003 Å
b	14.061 ± 0.004 Å
c	7.1516 ± 0.0018 Å
α	90°
β	97.92 ± 0.03°
γ	90°
Cell volume	968.4 ± 0.5 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	6
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	0.1035
Residual factor for significantly intense reflections	0.1021
Weighted residual factors for all reflections	0.1132
Weighted residual factors for significantly intense reflections	0.1131
Goodness-of-fit parameter for all reflections	3.18
Method of determination	powder diffraction
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7117049.cif
135341	2015-04-23	cif/ Adding structures of 7117048, 7117049 via cif-deposit CGI script.	7117049.cif