Crystallography Open Database

Information card for entry 7112624

Preview

Coordinates	7112624.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	MMPF-9
Formula	C80 H40 Cu7 N4 O30
Calculated formula	C80 H40 Cu7 N4 O30
Title of publication	A porous metal-metalloporphyrin framework featuring high-density active sites for chemical fixation of CO2 under ambient conditions
Authors of publication	Wen-Yang Gao; Lukasz Wojtas; Shengqian Ma
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	5316
a	33.7831 ± 0.001 Å
b	33.7831 ± 0.001 Å
c	43.456 ± 0.003 Å
α	90°
β	90°
γ	120°
Cell volume	42952 ± 3 Å³
Cell temperature	228 ± 2 K
Ambient diffraction temperature	228 ± 2 K
Number of distinct elements	5
Space group number	194
Hermann-Mauguin space group symbol	P 63/m m c
Hall space group symbol	-P 6c 2c
Residual factor for all reflections	0.0654
Residual factor for significantly intense reflections	0.0485
Weighted residual factors for significantly intense reflections	0.1301
Weighted residual factors for all reflections included in the refinement	0.1354
Goodness-of-fit parameter for all reflections included in the refinement	1.014
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180240 (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 7/11/26.	7112624.cif
111517	2014-04-24	cif/ Adding structures of 7112624 via cif-deposit CGI script.	7112624.cif