Crystallography Open Database

Information card for entry 4503172

Preview

Coordinates	4503172.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Cd(Ala2)2
Formula	C36 H66 Cd3 N12 O18
Calculated formula	C36 H66 Cd3 N12 O18
Title of publication	Covalent Metal−Peptide Framework Compounds That Extend in One and Two Dimensions
Authors of publication	Lee, Hyang-Yeol; Kampf, Jeffery W.; Park, Kyo Sung; Marsh, E. Neil G.
Journal of publication	Crystal Growth & Design
Year of publication	2008
Journal volume	8
Journal issue	1
Pages of publication	296
a	13.871 ± 0.0014 Å
b	33.898 ± 0.004 Å
c	5.4168 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	2547 ± 0.5 Å³
Cell temperature	258 ± 2 K
Ambient diffraction temperature	258 ± 2 K
Number of distinct elements	5
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.0433
Residual factor for significantly intense reflections	0.0354
Weighted residual factors for significantly intense reflections	0.0757
Weighted residual factors for all reflections included in the refinement	0.0847
Goodness-of-fit parameter for all reflections included in the refinement	1.076
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
179562 (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 4/50/31.	4503172.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4503172.cif
41398	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4503170, 4503171, 4503172, 4503173 via cif-deposit CGI script.	4503172.cif