Crystallography Open Database

Information card for entry 7106032

Preview

Coordinates	7106032.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H73 Al N4 O Zn
Calculated formula	C53 H73 Al N4 O Zn
SMILES	[Zn]1(N(C(=CC(=[N]1c1c(cc(cc1C)C)C)C)C)c1c(cc(cc1C)C)C)O[Al]1(N(C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C)C
Title of publication	X-Ray crystal structure of a heterobimetallic AlZn-oxide complex
Authors of publication	Stephan Schulz; Jan Spielmann; Dieter Blaser; Christoph Wolper
Journal of publication	Chem.Commun.
Year of publication	2011
Journal volume	47
Pages of publication	2676
a	12.4832 ± 0.001 Å
b	22.036 ± 0.002 Å
c	19.0101 ± 0.0016 Å
α	90°
β	98.078 ± 0.004°
γ	90°
Cell volume	5177.4 ± 0.8 Å³
Cell temperature	203 ± 2 K
Ambient diffraction temperature	203 ± 2 K
Number of distinct elements	6
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	0.0946
Residual factor for significantly intense reflections	0.0547
Weighted residual factors for significantly intense reflections	0.1406
Weighted residual factors for all reflections included in the refinement	0.1614
Goodness-of-fit parameter for all reflections included in the refinement	1.014
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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