Crystallography Open Database

Information card for entry 4110370

Preview

Coordinates	4110370.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H30 N6 Zn
Calculated formula	C30 H30 N6 Zn
SMILES	[Zn]1([N](=CC=Cc2ccc(N(C)C)cc2)c2ccccc2[N]1=CC=Cc1ccc(N(C)C)cc1)(C#N)C#N
Title of publication	Zinc(II)- and Copper(I)-Mediated Large Two-Photon Absorption Cross Sections in a Bis-cinnamaldiminato Schiff Base
Authors of publication	Sanjib Das; Amit Nag; Debabrata Goswami; Parimal K. Bharadwaj
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
Journal volume	128
Pages of publication	402 - 403
a	8.025 ± 0.004 Å
b	23.927 ± 0.011 Å
c	15.071 ± 0.007 Å
α	90°
β	95.995 ± 0.009°
γ	90°
Cell volume	2878 ± 2 Å³
Cell temperature	100 ± 1 K
Ambient diffraction temperature	100 ± 1 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1018
Residual factor for significantly intense reflections	0.0573
Weighted residual factors for significantly intense reflections	0.1259
Weighted residual factors for all reflections included in the refinement	0.1459
Goodness-of-fit parameter for all reflections included in the refinement	0.983
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4110370.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4110370.cif
59166	2012-06-04	cif/ Adding structures of 4110370 via cif-deposit CGI script.	4110370.cif