Crystallography Open Database

Information card for entry 4500100

Preview

Coordinates	4500100.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H12 Cd N2 O4 S2
Calculated formula	C8 H12 Cd N2 O4 S2
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	21.746 ± 0.004 Å
b	8.954 ± 0.0018 Å
c	6.159 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	1199.2 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.036
Residual factor for significantly intense reflections	0.0316
Weighted residual factors for significantly intense reflections	0.0672
Weighted residual factors for all reflections included in the refinement	0.0699
Goodness-of-fit parameter for all reflections included in the refinement	1.007
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
179532 (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 4/50/01.	4500100.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4500100.cif
34398	2012-02-25	cif/4/50/ Moving all 45001??.cif files to subdirectory 01/ where they belong.	4500100.cif
34343	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4500100 via cif-deposit CGI script.	4500100.cif