Crystallography Open Database

Information card for entry 4067240

Preview

Coordinates	4067240.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H60 N8 Zn4
Calculated formula	C29 H60 N8 Zn4
SMILES	C(C)(C)[N]1=C2C34C5[N]6(C(C)C)[ZnH]1[N]1(C(C)C)[ZnH]6[N](C(C)C)=C4[N]4(C(C)C)[ZnH]([N](C(C)C)=C31)[N]2(C(C)C)[ZnH]4[N]=5C(C)C
Title of publication	Synthesis, Structure, and Reactivity of a Tetranuclear Amidinato Zinc Hydride Complex
Authors of publication	Gutschank, Benjamin; Schulz, Stephan; Bläser, Dieter; Boese, Roland; Wölper, Christoph
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	22
Pages of publication	6133
a	11.1432 ± 0.0014 Å
b	18.004 ± 0.002 Å
c	17.722 ± 0.002 Å
α	90°
β	97.395 ± 0.007°
γ	90°
Cell volume	3525.9 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0293
Residual factor for significantly intense reflections	0.0246
Weighted residual factors for significantly intense reflections	0.0568
Weighted residual factors for all reflections included in the refinement	0.0582
Goodness-of-fit parameter for all reflections included in the refinement	1.14
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
178563 (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 4/06/72.	4067240.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4067240.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4067240.cif
34129	2012-02-13	../uploads/cif-deposit/cod/cif Adding structures of 4067240, 4067241, 4067242 via cif-deposit CGI script.	4067240.cif