Crystallography Open Database

Information card for entry 4507544

Preview

Coordinates	4507544.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H17 Hg N3 O6
Calculated formula	C21 H17 Hg N3 O6
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	8.9228 ± 0.0019 Å
b	10.996 ± 0.002 Å
c	12.0653 ± 0.0018 Å
α	90°
β	121.556 ± 0.011°
γ	90°
Cell volume	1008.7 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.0542
Residual factor for significantly intense reflections	0.0376
Weighted residual factors for significantly intense reflections	0.0782
Weighted residual factors for all reflections included in the refinement	0.0873
Goodness-of-fit parameter for all reflections included in the refinement	1.094
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.	4507544.cif
85556	2013-05-07	cif/ Adding structures of 4507536, 4507537, 4507538, 4507539, 4507540, 4507541, 4507542, 4507543, 4507544 via cif-deposit CGI script.	4507544.cif