Crystallography Open Database

Information card for entry 4507539

Preview

Coordinates	4507539.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H28 Cd Cl2 N6 O15
Calculated formula	C34 H28 Cd Cl2 N6 O15
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	10.0026 ± 0.0008 Å
b	12.8675 ± 0.001 Å
c	15.4829 ± 0.0012 Å
α	80.627 ± 0.002°
β	71.799 ± 0.002°
γ	84.189 ± 0.002°
Cell volume	1865.1 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0544
Residual factor for significantly intense reflections	0.0424
Weighted residual factors for significantly intense reflections	0.1113
Weighted residual factors for all reflections included in the refinement	0.1227
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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
179611 (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 4/50/75.	4507539.cif
85556	2013-05-07	cif/ Adding structures of 4507536, 4507537, 4507538, 4507539, 4507540, 4507541, 4507542, 4507543, 4507544 via cif-deposit CGI script.	4507539.cif