Crystallography Open Database

Information card for entry 4130955

Preview

Coordinates	4130955.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H33 Cu N5 O7
Calculated formula	C19 H11 Cu N3 O5
Title of publication	Amides Do Not Always Work: Observation of Guest Binding in an Amide-Functionalized Porous Metal-Organic Framework.
Authors of publication	Benson, Oguarabau; da Silva, Ivan; Argent, Stephen P.; Cabot, Rafel; Savage, Mathew; Godfrey, Harry G. W.; Yan, Yong; Parker, Stewart F.; Manuel, Pascal; Lennox, Matthew J.; Mitra, Tamoghna; Easun, Timothy L.; Lewis, William; Blake, Alexander J.; Besley, Elena; Yang, Sihai; Schröder, Martin
Journal of publication	Journal of the American Chemical Society
Year of publication	2016
Journal volume	138
Journal issue	45
Pages of publication	14828 - 14831
a	18.3847 ± 0.0003 Å
b	18.3847 ± 0.0003 Å
c	48.568 ± 0.0011 Å
α	90°
β	90°
γ	120°
Cell volume	14216.5 ± 0.5 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	155
Hermann-Mauguin space group symbol	R 3 2 :H
Hall space group symbol	R 3 2"
Residual factor for all reflections	0.0342
Residual factor for significantly intense reflections	0.0328
Weighted residual factors for significantly intense reflections	0.0969
Weighted residual factors for all reflections included in the refinement	0.0985
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
241282 (current)	2019-11-25	cif/ Adding structures of 4130955 via cif-deposit CGI script.	4130955.cif