Crystallography Open Database

Information card for entry 4123326

Preview

Coordinates	4123326.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H40 Cl2 I2 N4 Zn2
Calculated formula	C40 H40 Cl2 I2 N4 Zn2
SMILES	I[Zn@]1([n]2c(cccc2c2[n]1cccc2)c1c(cc(cc1C)C)C)C[Zn@]1(I)[n]2c(cccc2c2[n]1cccc2)c1c(cc(cc1C)C)C.ClCCl.I[Zn@@]1([n]2c(cccc2c2[n]1cccc2)c1c(cc(cc1C)C)C)C[Zn@@]1(I)[n]2c(cccc2c2[n]1cccc2)c1c(cc(cc1C)C)C.ClCCl
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	11.879 ± 0.003 Å
b	13.183 ± 0.003 Å
c	13.847 ± 0.004 Å
α	105.017 ± 0.004°
β	93.698 ± 0.004°
γ	90.313 ± 0.003°
Cell volume	2089.5 ± 0.9 Å³
Cell temperature	113 K
Ambient diffraction temperature	113 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 significantly intense reflections	0.047
Weighted residual factors for all reflections included in the refinement	0.1291
Goodness-of-fit parameter for all reflections included in the refinement	1.086
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.	4123326.cif
130307	2015-02-03	cif/ Adding structures of 4123326 via cif-deposit CGI script.	4123326.cif