Crystallography Open Database

Information card for entry 7218870

Preview

Coordinates	7218870.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H8 Cd N9
Calculated formula	C12 H8 Cd N9
Title of publication	Coordination assemblies of CdIIwith 2,2′:6′,2′′-terpyridine (terpy), 2,3,5,6-tetra-(2-pyridyl)pyrazine (tppz) and pseudohalide ions ‒ structural diversification and luminescence properties
Authors of publication	Nawrot, Iwona; Machura, Barbara; Kruszynski, Rafał
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	4
Pages of publication	830
a	7.9227 ± 0.0007 Å
b	8.9657 ± 0.0009 Å
c	10.146 ± 0.001 Å
α	74.85 ± 0.008°
β	74.24 ± 0.008°
γ	83.61 ± 0.03°
Cell volume	668.87 ± 0.12 Å³
Cell temperature	295 K
Ambient diffraction temperature	295 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0304
Residual factor for significantly intense reflections	0.0282
Weighted residual factors for significantly intense reflections	0.064
Weighted residual factors for all reflections included in the refinement	0.0652
Goodness-of-fit parameter for all reflections included in the refinement	1.078
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
180519 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/88.	7218870.cif
133139	2015-03-06	cif/ Updating files of 7218862, 7218863, 7218864, 7218865, 7218866, 7218867, 7218868, 7218869, 7218870 Original log message: Adding full bibliography for 7218862--7218870.cif.	7218870.cif
127793	2014-11-22	cif/ Adding structures of 7218862, 7218863, 7218864, 7218865, 7218866, 7218867, 7218868, 7218869, 7218870 via cif-deposit CGI script.	7218870.cif