Crystallography Open Database

Information card for entry 4505578

Preview

Coordinates	4505578.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H54 Cu3 N6 O33
Calculated formula	C30 H54 Cu3 N6 O33
Title of publication	Water Stable Metal‒Organic Framework Evolutionally Formed from a Flexible Multidentate Ligand with Acylamide Groups for Selective CO2Adsorption
Authors of publication	Lu, Zhiyong; Xing, Hang; Sun, Ran; Bai, Junfeng; Zheng, Baishu; Li, Yizhi
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	3
Pages of publication	1081
a	13.5182 ± 0.0016 Å
b	13.5182 ± 0.0016 Å
c	54.861 ± 0.009 Å
α	90°
β	90°
γ	120°
Cell volume	8682 ± 2 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	5
Space group number	167
Hermann-Mauguin space group symbol	R -3 c :H
Hall space group symbol	-R 3 2"c
Residual factor for all reflections	0.0827
Residual factor for significantly intense reflections	0.0501
Weighted residual factors for significantly intense reflections	0.104
Weighted residual factors for all reflections included in the refinement	0.1101
Goodness-of-fit parameter for all reflections included in the refinement	1.099
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
179590 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/55.	4505578.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4505578.cif
51814	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 4505578, 4505579, 4505580, 4505581 via cif-deposit CGI script.	4505578.cif