Crystallography Open Database

Information card for entry 4068910

Preview

Coordinates	4068910.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H58 N4 Zn2
Calculated formula	C46 H58 N4 Zn2
SMILES	C1(=[N](c2c(cc(cc2C)C)C)[Zn](N(C(=C1)C)c1c(cc(cc1C)C)C)[Zn]1N(C(=CC(=[N]1c1c(cc(cc1C)C)C)C)C)c1c(cc(cc1C)C)C)C
Title of publication	Dizincocene as a Building Block for Novel Zn−Zn-Bonded Compounds?
Authors of publication	Schulz, Stephan; Schuchmann, Daniella; Westphal, Ulrich; Bolte, Michael
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	5
Pages of publication	1590
a	13.4527 ± 0.001 Å
b	8.3904 ± 0.0007 Å
c	19.4814 ± 0.0014 Å
α	90°
β	103.768 ± 0.006°
γ	90°
Cell volume	2135.8 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.0779
Residual factor for significantly intense reflections	0.0428
Weighted residual factors for significantly intense reflections	0.0706
Weighted residual factors for all reflections included in the refinement	0.0782
Goodness-of-fit parameter for all reflections included in the refinement	0.931
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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