Crystallography Open Database

Information card for entry 4133098

Preview

Coordinates	4133098.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	MFM-102-NH2
Formula	C28 H14 Cu2 N2 O10
Calculated formula	C30 H14 Cu2 N2 O10
Title of publication	Optimal Binding of Acetylene to a Nitro-Decorated Metal-Organic Framework.
Authors of publication	Duong, Thien D.; Sapchenko, Sergey A.; da Silva, Ivan; Godfrey, Harry G. W.; Cheng, Yongqiang; Daemen, Luke L.; Manuel, Pascal; Ramirez-Cuesta, Anibal J; Yang, Sihai; Schröder, Martin
Journal of publication	Journal of the American Chemical Society
Year of publication	2018
Journal volume	140
Journal issue	47
Pages of publication	16006 - 16009
a	18.3453 ± 0.0008 Å
b	18.3453 ± 0.0008 Å
c	52.3638 ± 0.0016 Å
α	90°
β	90°
γ	120°
Cell volume	15262 ± 1.1 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120.15 K
Number of distinct elements	5
Space group number	166
Hermann-Mauguin space group symbol	R -3 m :H
Hall space group symbol	-R 3 2"
Residual factor for all reflections	0.0916
Residual factor for significantly intense reflections	0.0836
Weighted residual factors for significantly intense reflections	0.2756
Weighted residual factors for all reflections included in the refinement	0.2895
Goodness-of-fit parameter for all reflections included in the refinement	1.278
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
242942 (current)	2019-11-26	cif/ Adding structures of 4133098 via cif-deposit CGI script.	4133098.cif