Crystallography Open Database

Information card for entry 4500101

Preview

Coordinates	4500101.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H12 N2 Ni O4 S2
Calculated formula	C8 H12 N2 Ni 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	5.897 ± 0.006 Å
b	10.146 ± 0.011 Å
c	10.077 ± 0.01 Å
α	90°
β	90.165 ± 0.006°
γ	90°
Cell volume	602.9 ± 1.1 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	0.1743
Residual factor for significantly intense reflections	0.0646
Weighted residual factors for significantly intense reflections	0.106
Weighted residual factors for all reflections included in the refinement	0.1346
Goodness-of-fit parameter for all reflections included in the refinement	0.997
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.	4500101.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4500101.cif
34398	2012-02-25	cif/4/50/ Moving all 45001??.cif files to subdirectory 01/ where they belong.	4500101.cif
34344	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4500101 via cif-deposit CGI script.	4500101.cif