Crystallography Open Database

Information card for entry 4511809

Preview

Coordinates	4511809.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H10 Co N2 O6
Calculated formula	C6 H10 Co N2 O6
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	6.0873 ± 0.0004 Å
b	8.9751 ± 0.0009 Å
c	16.8198 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	918.94 ± 0.14 Å³
Cell temperature	120 ± 1 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0529
Residual factor for significantly intense reflections	0.0474
Weighted residual factors for significantly intense reflections	0.1265
Weighted residual factors for all reflections included in the refinement	0.134
Goodness-of-fit parameter for all reflections included in the refinement	0.826
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
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.	4511809.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.	4511809.cif
122357	2014-08-22	cif/ Adding structures of 4511809 via cif-deposit CGI script.	4511809.cif