Crystallography Open Database

Information card for entry 7113477

Preview

Coordinates	7113477.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H14 Cd0.5 N3 O2 S
Calculated formula	C14 H14 Cd0.5 N3 O2 S
Title of publication	Controlled crystallization of mixed-ligand complexes of 1,3-bis(4-pyridyl)propane-N,N'-dioxide with metal(ii) thiocyanates: isostructurality in coordination networks bearing different mono- and di-nuclear nodes
Authors of publication	Zhang, Lin-Ping; Lu, Wen-Jie; Mak, Thomas C. W.
Journal of publication	Chemical Communications
Year of publication	2003
Journal issue	22
Pages of publication	2830 - 2831
a	7.1151 ± 0.0012 Å
b	22.521 ± 0.004 Å
c	9.7076 ± 0.0017 Å
α	90°
β	99.21 ± 0.003°
γ	90°
Cell volume	1535.5 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0512
Residual factor for significantly intense reflections	0.0423
Weighted residual factors for significantly intense reflections	0.1233
Weighted residual factors for all reflections included in the refinement	0.1303
Goodness-of-fit parameter for all reflections included in the refinement	1.071
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7113477.cif
173443	2016-01-04	cif/ (antanas@kurmis) Updating bibliographies for multiple entries.	7113477.cif
115083	2014-06-02	cif/ Adding structures of 7113471, 7113472, 7113473, 7113474, 7113475, 7113476, 7113477, 7113478, 7113479 via cif-deposit CGI script.	7113477.cif