Crystallography Open Database

Information card for entry 4507540

Preview

Coordinates	4507540.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H18 Cd Cl2 N3 O13.5
Calculated formula	C17 H15 Cd Cl2 N3 O13.5
Title of publication	Group 12 Metal Complexes of Semirigid 2,6-Pyridinediylbis(3-pyridinyl)methanone: Role of Counteranions and Solvent in Product Formation
Authors of publication	Wan, Chong-Qing; Li, Ai-Min; Al-Thabaiti, Shaeel A.; Mak, Thomas C. W.
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	5
Pages of publication	1926
a	9.7355 ± 0.001 Å
b	10.0002 ± 0.001 Å
c	26.295 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	2560 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0783
Residual factor for significantly intense reflections	0.0559
Weighted residual factors for significantly intense reflections	0.1394
Weighted residual factors for all reflections included in the refinement	0.1561
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4507540.cif
85556	2013-05-07	cif/ Adding structures of 4507536, 4507537, 4507538, 4507539, 4507540, 4507541, 4507542, 4507543, 4507544 via cif-deposit CGI script.	4507540.cif