Crystallography Open Database

Information card for entry 7112771

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Structure parameters

Formula	C33 H51 N4 Zn
Calculated formula	C33 H51 N4 Zn
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	12.9606 ± 0.0016 Å
b	13.4781 ± 0.0017 Å
c	18.614 ± 0.002 Å
α	90°
β	101.476 ± 0.005°
γ	90°
Cell volume	3186.6 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.0917
Residual factor for significantly intense reflections	0.053
Weighted residual factors for significantly intense reflections	0.1162
Weighted residual factors for all reflections included in the refinement	0.1343
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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
301857 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/11/ Each referenced PubChem compound corresponds to the full crystal structure.	7112771.cif
180241	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.	7112771.cif
112082	2014-04-29	cif/ Adding structures of 7112770, 7112771 via cif-deposit CGI script.	7112771.cif