Crystallography Open Database

Information card for entry 7112205

Preview

Coordinates	7112205.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H35 Mn2 N O12
Calculated formula	C47 H35 Mn2 N O12
Title of publication	A highly stable MOF with a rod SBU and a tetracarboxylate linker: unusual topology and CO2 adsorption behaviour under ambient conditions
Authors of publication	Ru-Jin Li; Mian Li; Xiao-Ping Zhou; Dan Li; Michael O'Keeffe
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	4047
a	6.997 ± 0.0002 Å
b	25.4831 ± 0.0009 Å
c	28.2642 ± 0.0008 Å
α	90°
β	92.712 ± 0.002°
γ	90°
Cell volume	5034 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.1418
Residual factor for significantly intense reflections	0.1056
Weighted residual factors for significantly intense reflections	0.3062
Weighted residual factors for all reflections included in the refinement	0.3306
Goodness-of-fit parameter for all reflections included in the refinement	1.17
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
180236 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/22.	7112205.cif
126140	2014-11-01	cif/7/ (saulius@kolibris) Adding DOI prefixes to 64 COD entries.	7112205.cif
108183	2014-03-28	cif/ Adding structures of 7112205 via cif-deposit CGI script.	7112205.cif