Crystallography Open Database

Information card for entry 4080084

Preview

Coordinates	4080084.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H46 Cl2 O2 Zn2
Calculated formula	C28 H46 Cl2 O2 Zn2
SMILES	C1(C(=C(C(=C1C)C)C)C)(C)[Zn]1([Cl][Zn](C2(C(=C(C(=C2C)C)C)C)C)([O]2CCCC2)[Cl]1)[O]1CCCC1
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	12.5611 ± 0.0003 Å
b	8.9255 ± 0.0003 Å
c	13.6004 ± 0.0004 Å
α	90°
β	102.301 ± 0.002°
γ	90°
Cell volume	1489.79 ± 0.08 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0352
Residual factor for significantly intense reflections	0.0232
Weighted residual factors for significantly intense reflections	0.0491
Weighted residual factors for all reflections included in the refinement	0.0501
Goodness-of-fit parameter for all reflections included in the refinement	0.803
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.	4080084.cif
75525	2013-03-10	cif/ Adding structures of 4080080, 4080081, 4080082, 4080083, 4080084 via cif-deposit CGI script.	4080084.cif