Crystallography Open Database

Information card for entry 4326120

Preview

Coordinates	4326120.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C86.5 H64.5 Cl8 N8.5 O22 Zn8
Calculated formula	C86.5 H64.5 Cl8 N8.5 O22 Zn8
Title of publication	Shape-Persistent Octanuclear Zinc Salen Clusters: Synthesis, Characterization, and Catalysis
Authors of publication	Robert M. Haak; Antonello Decortes; Eduardo C. Escudero-Adán; Marta Martínez Belmonte; Eddy Martin; Jordi Benet-Buchholz; Arjan W. Kleij
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	7934 - 7936
a	18.0976 ± 0.0004 Å
b	31.8251 ± 0.0006 Å
c	35.4893 ± 0.0011 Å
α	90°
β	96.918 ± 0.001°
γ	90°
Cell volume	20291.5 ± 0.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.0764
Residual factor for significantly intense reflections	0.0498
Weighted residual factors for significantly intense reflections	0.1368
Weighted residual factors for all reflections included in the refinement	0.1459
Goodness-of-fit parameter for all reflections included in the refinement	1.082
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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