Crystallography Open Database

Information card for entry 4082326

Preview

Coordinates	4082326.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H29 N Zn
Calculated formula	C16 H29 N Zn
SMILES	[C]123=[C]4(C(=C(C1(C)[Zn]34(CC)[N](CCC2)(C)C)C)C)C
Title of publication	Neutral and Cationic Zinc Complexes with N- and S-Donor-Functionalized Cyclopentadienyl Ligands
Authors of publication	Chilleck, Maren A.; Braun, Thomas; Braun, Beatrice; Mebs, Stefan
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	2
Pages of publication	551
a	12.2087 ± 0.0004 Å
b	10.6001 ± 0.0005 Å
c	12.4866 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	1615.93 ± 0.11 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0479
Residual factor for significantly intense reflections	0.0371
Weighted residual factors for significantly intense reflections	0.0836
Weighted residual factors for all reflections included in the refinement	0.0871
Goodness-of-fit parameter for all reflections included in the refinement	1.018
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
178712 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/23.	4082326.cif
104374	2014-03-11	cif/ Adding structures of 4082325, 4082326, 4082327, 4082328, 4082329 via cif-deposit CGI script.	4082326.cif