Crystallography Open Database

Information card for entry 4512170

Preview

Coordinates	4512170.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H14 Cu3 O15.75
Calculated formula	C19 H11 Cu3 O16.75
Title of publication	Control of Metal‒Organic Framework Crystal Topology by Ligand Functionalization: Functionalized HKUST-1 Derivatives
Authors of publication	Cai, Yang; Kulkarni, Ambarish R.; Huang, You-Gui; Sholl, David S.; Walton, Krista S.
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	11
Pages of publication	6122
a	19.4476 ± 0.0007 Å
b	19.4476 ± 0.0007 Å
c	24.1299 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	9126.1 ± 0.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	71
Hermann-Mauguin space group symbol	I m m m
Hall space group symbol	-I 2 2
Residual factor for all reflections	0.1487
Residual factor for significantly intense reflections	0.1147
Weighted residual factors for significantly intense reflections	0.3175
Weighted residual factors for all reflections included in the refinement	0.3555
Goodness-of-fit parameter for all reflections included in the refinement	1.242
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179668 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/21.	4512170.cif
126834	2014-11-11	cif/ Updating files of 4512170 Original log message: Adding full bibliography for 4512170.cif.	4512170.cif
125672	2014-10-22	cif/ Adding structures of 4512170 via cif-deposit CGI script.	4512170.cif