Crystallography Open Database

Information card for entry 4080082

Preview

Coordinates	4080082.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H37 N Zn
Calculated formula	C23 H37 N Zn
SMILES	[C]123=[C]4(C(=C(C1(C)[Zn]34(C1(C(=C(C(=C1C)C)C)C)C)[N](CC2)(C)C)C)C)C
Title of publication	Zinc Complexes with the N-Donor-Functionalized Cyclopentadienyl Ligand C5Me4(CH2)2NMe2
Authors of publication	Chilleck, Maren A.; Braun, Thomas; Herrmann, Roy; Braun, Beatrice
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	4
Pages of publication	1067
a	8.8515 ± 0.0003 Å
b	15.1751 ± 0.0004 Å
c	16.27 ± 0.0006 Å
α	90°
β	99.733 ± 0.003°
γ	90°
Cell volume	2153.97 ± 0.12 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	0.0574
Residual factor for significantly intense reflections	0.044
Weighted residual factors for significantly intense reflections	0.1216
Weighted residual factors for all reflections included in the refinement	0.1277
Goodness-of-fit parameter for all reflections included in the refinement	1.078
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
178689 (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 4/08/00.	4080082.cif
75525	2013-03-10	cif/ Adding structures of 4080080, 4080081, 4080082, 4080083, 4080084 via cif-deposit CGI script.	4080082.cif