Crystallography Open Database

Information card for entry 7112401

Preview

Coordinates	7112401.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	1_233
Formula	C10 H8 Br2 N2 Zn
Calculated formula	C10 H8 Br2 N2 Zn
SMILES	c12cccc[n]1[Zn]([n]1c2cccc1)(Br)Br
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	10.7106 ± 0.0003 Å
b	14.8067 ± 0.0005 Å
c	7.7624 ± 0.0003 Å
α	90°
β	98.299 ± 0.002°
γ	90°
Cell volume	1218.14 ± 0.07 Å³
Cell temperature	232 ± 2 K
Ambient diffraction temperature	232 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0855
Residual factor for significantly intense reflections	0.0374
Weighted residual factors for significantly intense reflections	0.0828
Weighted residual factors for all reflections included in the refinement	0.0955
Goodness-of-fit parameter for all reflections included in the refinement	1.014
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
180238 (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 7/11/24.	7112401.cif
110064	2014-04-18	cif/ Adding structures of 7112398, 7112399, 7112400, 7112401, 7112402, 7112403 via cif-deposit CGI script.	7112401.cif