Crystallography Open Database

Information card for entry 7112398

Preview

Coordinates	7112398.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	1_173
Formula	C10 H8 Br2 N2 Zn
Calculated formula	C10 H8 Br2 N2 Zn
SMILES	Br[Zn]1(Br)[n]2c(c3[n]1cccc3)cccc2
Title of publication	On the propulsion mechanism of "jumping" crystals.
Authors of publication	Lusi, Matteo; Bernstein, Joel
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2013
Journal volume	49
Journal issue	81
Pages of publication	9293 - 9295
a	7.8183 ± 0.001 Å
b	9.0188 ± 0.0012 Å
c	9.2659 ± 0.0014 Å
α	113.807 ± 0.007°
β	95.38 ± 0.007°
γ	95.722 ± 0.006°
Cell volume	588.3 ± 0.15 Å³
Cell temperature	172 ± 2 K
Ambient diffraction temperature	172 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2166
Residual factor for significantly intense reflections	0.1618
Weighted residual factors for significantly intense reflections	0.4651
Weighted residual factors for all reflections included in the refinement	0.4944
Goodness-of-fit parameter for all reflections included in the refinement	1.695
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
180237 (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 7/11/23.	7112398.cif
110064	2014-04-18	cif/ Adding structures of 7112398, 7112399, 7112400, 7112401, 7112402, 7112403 via cif-deposit CGI script.	7112398.cif