Crystallography Open Database

Information card for entry 4500099

Preview

Coordinates	4500099.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H12 N2 O4 S2 Zn
Calculated formula	C8 H12 N2 O4 S2 Zn
Title of publication	Three Novel Homochiral Helical Metal−Organic Frameworks Based on Amino Acid Ligand: Syntheses, Crystal Structures, and Properties
Authors of publication	Dong, Lanjun; Chu, Wei; Zhu, Qinlei; Huang, Rudan
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	1
Pages of publication	93
a	9.733 ± 0.003 Å
b	5.7183 ± 0.0017 Å
c	10.359 ± 0.003 Å
α	90°
β	93.193 ± 0.004°
γ	90°
Cell volume	575.6 ± 0.3 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0506
Residual factor for significantly intense reflections	0.039
Weighted residual factors for significantly intense reflections	0.0887
Weighted residual factors for all reflections included in the refinement	0.0979
Goodness-of-fit parameter for all reflections included in the refinement	0.867
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
179531 (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 4/50/00.	4500099.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4500099.cif
34342	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4500099 via cif-deposit CGI script.	4500099.cif