Crystallography Open Database

Information card for entry 4508678

Preview

Coordinates	4508678.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H28 Cd N10 S4
Calculated formula	C28 H28 Cd N10 S4
Title of publication	Anion-Directed Assembly of Macrocycle and Helix
Authors of publication	Zhang, Xuanjun; Zhou, Xiao-Ping; Li, Dan
Journal of publication	Crystal Growth & Design
Year of publication	2006
Journal volume	6
Journal issue	6
Pages of publication	1440
a	23.4096 ± 0.0014 Å
b	11.0338 ± 0.0007 Å
c	15.3731 ± 0.0009 Å
α	90°
β	126.411 ± 0.001°
γ	90°
Cell volume	3195.6 ± 0.3 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0312
Residual factor for significantly intense reflections	0.0285
Weighted residual factors for significantly intense reflections	0.0726
Weighted residual factors for all reflections included in the refinement	0.074
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
179622 (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 4/50/86.	4508678.cif
96846	2014-01-29	cif/ Adding structures of 4508678 via cif-deposit CGI script.	4508678.cif