Crystallography Open Database

Information card for entry 4069777

Preview

Coordinates	4069777.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H80 N4 Zn2
Calculated formula	C56 H80 N4 Zn2
SMILES	[Zn]1([N](=C(C(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C)[Zn]1[N](=C(C(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C
Title of publication	Synthesis and Structure of a Zinc−Zinc-Bonded Compound with a Monoanionic α-Diimine Ligand, [LZn−ZnL] (L = [(2,6-iPr2C6H3)NC(Me)]2−)
Authors of publication	Liu, Yanyan; Li, Shaoguang; Yang, Xiao-Juan; Yang, Peiju; Gao, Jing; Xia, Yana; Wu, Biao
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	17
Pages of publication	5270
a	28.299 ± 0.007 Å
b	28.299 ± 0.007 Å
c	13.302 ± 0.003 Å
α	90°
β	90°
γ	120°
Cell volume	9225 ± 4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	147
Hermann-Mauguin space group symbol	P -3
Hall space group symbol	-P 3
Residual factor for all reflections	0.2533
Residual factor for significantly intense reflections	0.0964
Weighted residual factors for significantly intense reflections	0.2604
Weighted residual factors for all reflections included in the refinement	0.3584
Goodness-of-fit parameter for all reflections included in the refinement	0.951
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
178586 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/97.	4069777.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4069777.cif
40440	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4069777 via cif-deposit CGI script.	4069777.cif