Crystallography Open Database

Information card for entry 4320269

4320268 << 4320269 >> 4320270

Preview

Coordinates	4320269.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H48 N4 O6 Zn
Calculated formula	C44 H48 N4 O6 Zn
SMILES	[Zn]12([N](c3c(cccc3C(C)C)C(C)C)=Cc3cc(ccc3O1)N(=O)=O)[N](c1c(cccc1C(C)C)C(C)C)=Cc1cc(ccc1O2)N(=O)=O.c1ccccc1
Title of publication	Three-Coordinate Zinc Amide and Phenoxide Complexes Supported by a Bulky Schiff Base Ligand
Authors of publication	Malcolm H. Chisholm; Judith C. Gallucci; Hongshi Zhen; John C. Huffman
Journal of publication	Inorganic Chemistry
Year of publication	2001
Journal volume	40
Pages of publication	5051 - 5054
a	14.501 ± 0.004 Å
b	14.397 ± 0.004 Å
c	20.191 ± 0.004 Å
α	90°
β	106.999 ± 0.013°
γ	90°
Cell volume	4031.1 ± 1.8 Å³
Cell temperature	115 ± 2 K
Ambient diffraction temperature	115 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.0277
Weighted residual factors for all reflections included in the refinement	0.0254
Goodness-of-fit parameter for all reflections included in the refinement	0.5593
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	4320269.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4320269.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4320269.cif
17171	2011-04-04	../uploads/cif-deposit/cod/cif Adding structures of 4320269 via cif-deposit CGI script.	4320269.cif