Crystallography Open Database

Information card for entry 4508677

Preview

Coordinates	4508677.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H36 Cd Cl2 N8 O2 S2
Calculated formula	C28 H36 Cd Cl2 N8 O2 S2
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	9.428 ± 0.004 Å
b	22.396 ± 0.009 Å
c	7.908 ± 0.003 Å
α	90°
β	105.951 ± 0.007°
γ	90°
Cell volume	1605.5 ± 1.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0395
Residual factor for significantly intense reflections	0.034
Weighted residual factors for significantly intense reflections	0.0915
Weighted residual factors for all reflections included in the refinement	0.1056
Goodness-of-fit parameter for all reflections included in the refinement	1.171
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.	4508677.cif
96845	2014-01-29	cif/ Adding structures of 4508677 via cif-deposit CGI script.	4508677.cif