Crystallography Open Database

Information card for entry 7113474

Preview

Coordinates	7113474.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H16 Mn N4 O3 S2
Calculated formula	C15 H16 Mn N4 O3 S2
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	12.544 ± 0.003 Å
b	12.644 ± 0.003 Å
c	13.219 ± 0.003 Å
α	90°
β	114.18 ± 0.03°
γ	90°
Cell volume	1912.7 ± 0.9 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	0.0947
Residual factor for significantly intense reflections	0.0446
Weighted residual factors for significantly intense reflections	0.1071
Weighted residual factors for all reflections included in the refinement	0.126
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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
180248 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/34.	7113474.cif
173443	2016-01-04	cif/ (antanas@kurmis) Updating bibliographies for multiple entries.	7113474.cif
115083	2014-06-02	cif/ Adding structures of 7113471, 7113472, 7113473, 7113474, 7113475, 7113476, 7113477, 7113478, 7113479 via cif-deposit CGI script.	7113474.cif