Crystallography Open Database

Information card for entry 4511812

Preview

Coordinates	4511812.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H10 N2 O6 Zn
Calculated formula	C6 H10 N2 O6 Zn
Title of publication	Toward the Construction of 3D Dipeptide‒Metal Frameworks
Authors of publication	Emami, Seyedali; Paz, Filipe A. Almeida; Mendes, Adélio; Gales, Luís
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	9
Pages of publication	4777
a	4.8075 ± 0.0002 Å
b	9.4727 ± 0.0005 Å
c	9.7014 ± 0.0004 Å
α	90°
β	95.763 ± 0.004°
γ	90°
Cell volume	439.57 ± 0.03 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0676
Residual factor for significantly intense reflections	0.0668
Weighted residual factors for significantly intense reflections	0.1682
Weighted residual factors for all reflections included in the refinement	0.1694
Goodness-of-fit parameter for all reflections included in the refinement	1.071
Diffraction radiation wavelength	0.68239 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179665 (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 4/51/18.	4511812.cif
122845	2014-09-06	cif/ Updating files of 4511807, 4511808, 4511809, 4511810, 4511811, 4511812 Original log message: Adding full bibliography for 4511807--4511812.cif.	4511812.cif
122360	2014-08-22	cif/ Adding structures of 4511812 via cif-deposit CGI script.	4511812.cif