Crystallography Open Database

Information card for entry 4123327

Preview

Coordinates	4123327.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H8 I2 N2 Zn
Calculated formula	C10 H8 I2 N2 Zn
SMILES	c12cccc[n]1[Zn](I)(I)[n]1c2cccc1
Title of publication	Isolation and Structural Characterization of Geminal Di(iodozincio)methane Complexes Stabilized with Nitrogen Ligands.
Authors of publication	Nishida, Yusuke; Hosokawa, Naoki; Murai, Masahito; Takai, Kazuhiko
Journal of publication	Journal of the American Chemical Society
Year of publication	2015
Journal volume	137
Journal issue	1
Pages of publication	114 - 117
a	15.72 ± 0.02 Å
b	8.289 ± 0.009 Å
c	12.624 ± 0.016 Å
α	90°
β	128.585 ± 0.015°
γ	90°
Cell volume	1286 ± 3 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 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 significantly intense reflections	0.0552
Weighted residual factors for all reflections included in the refinement	0.1491
Goodness-of-fit parameter for all reflections included in the refinement	1.234
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179035 (current)	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/33.	4123327.cif
130308	2015-02-03	cif/ Adding structures of 4123327 via cif-deposit CGI script.	4123327.cif