Crystallography Open Database

Information card for entry 4080080

Preview

Coordinates	4080080.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H44 N2 Zn
Calculated formula	C26 H44 N2 Zn
SMILES	[C@]12(C(=C(C(=C1C)C)C)CC[N](C)(C)[Zn]12[C@@]2(C(=C(C(=C2C)C)C)CC[N]1(C)C)C)C.[C@@]12(C(=C(C(=C1C)C)C)CC[N](C)(C)[Zn]12[C@]2(C(=C(C(=C2C)C)C)CC[N]1(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	17.1914 ± 0.0003 Å
b	17.213 ± 0.0004 Å
c	18.0119 ± 0.0006 Å
α	95.219 ± 0.003°
β	112.22 ± 0.003°
γ	90.259 ± 0.002°
Cell volume	4909.4 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0611
Residual factor for significantly intense reflections	0.0419
Weighted residual factors for significantly intense reflections	0.0819
Weighted residual factors for all reflections included in the refinement	0.0878
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4080080.cif
75525	2013-03-10	cif/ Adding structures of 4080080, 4080081, 4080082, 4080083, 4080084 via cif-deposit CGI script.	4080080.cif