Crystallography Open Database

Information card for entry 7112770

Preview

Coordinates	7112770.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H60 N4 O4 Zn2
Calculated formula	C48 H60 N4 O4 Zn2
Title of publication	Reactions of a β-diketiminate zinc hydride complex with heterocumulenes.
Authors of publication	Schulz, Stephan; Eisenmann, Tamara; Schmidt, Sarah; Bläser, Dieter; Westphal, Ulrich; Boese, Roland
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2010
Journal volume	46
Journal issue	38
Pages of publication	7226 - 7228
a	10.4571 ± 0.0003 Å
b	13.5684 ± 0.0004 Å
c	17.0082 ± 0.0005 Å
α	83.802 ± 0.002°
β	81.489 ± 0.002°
γ	67.819 ± 0.002°
Cell volume	2206.45 ± 0.12 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0549
Residual factor for significantly intense reflections	0.0497
Weighted residual factors for significantly intense reflections	0.122
Weighted residual factors for all reflections included in the refinement	0.1247
Goodness-of-fit parameter for all reflections included in the refinement	1.106
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
180241 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/27.	7112770.cif
112082	2014-04-29	cif/ Adding structures of 7112770, 7112771 via cif-deposit CGI script.	7112770.cif