Crystallography Open Database

Information card for entry 4505690

Preview

Coordinates	4505690.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H10 Co0.5 N5 S
Calculated formula	C13 H10 Co0.5 N5 S
Title of publication	Construction of Cylindrical Nanotubular Materials by Self-Assembly of Co(NCS)2with Bent-Building Blocks Having Diimidazole Rings
Authors of publication	Son, Seung Uk; Park, Kang Hyun; Kim, Bo Yun; Chung, Young Keun
Journal of publication	Crystal Growth & Design
Year of publication	2003
Journal volume	3
Journal issue	4
Pages of publication	507
a	17.868 ± 0.001 Å
b	18.614 ± 0.001 Å
c	7.794 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	2592.2 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	64
Hermann-Mauguin space group symbol	C m c a
Hall space group symbol	-C 2ac 2
Residual factor for all reflections	0.1058
Residual factor for significantly intense reflections	0.043
Weighted residual factors for significantly intense reflections	0.1143
Weighted residual factors for all reflections included in the refinement	0.1798
Goodness-of-fit parameter for all reflections included in the refinement	1.005
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4505690.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4505690.cif
53700	2012-04-20	cif/ Adding structures of 4505690 via cif-deposit CGI script.	4505690.cif