Crystallography Open Database

Information card for entry 4505581

Preview

Coordinates	4505581.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H39 Cu2 N5 O16
Calculated formula	C28 H39 Cu2 N5 O16
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	11.575 ± 0.002 Å
b	12.634 ± 0.003 Å
c	14.335 ± 0.002 Å
α	101.369 ± 0.001°
β	102.935 ± 0.003°
γ	96.457 ± 0.002°
Cell volume	1976 ± 0.6 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0763
Residual factor for significantly intense reflections	0.0558
Weighted residual factors for significantly intense reflections	0.1196
Weighted residual factors for all reflections included in the refinement	0.1236
Goodness-of-fit parameter for all reflections included in the refinement	1.087
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
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.	4505581.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4505581.cif
51814	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 4505578, 4505579, 4505580, 4505581 via cif-deposit CGI script.	4505581.cif