Crystallography Open Database

Information card for entry 4336383

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Coordinates	4336383.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H69 Cl3 N16 O13 Zn2
Calculated formula	C56 H68 Cl3 N16 O13 Zn2
Title of publication	Zinc(II) and Cadmium(II) Monohydroxide Bridged, Dinuclear Metallacycles: A Unique Case of Concerted Double Berry Pseudorotation
Authors of publication	Daniel L. Reger; Andrea E. Pascui; Perry J. Pellechia; Mark D. Smith
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	11638 - 11649
a	11.339 ± 0.0007 Å
b	12.8304 ± 0.0008 Å
c	13.3422 ± 0.0008 Å
α	116.578 ± 0.001°
β	99.107 ± 0.001°
γ	105.748 ± 0.002°
Cell volume	1580.12 ± 0.17 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0984
Residual factor for significantly intense reflections	0.0503
Weighted residual factors for significantly intense reflections	0.0935
Weighted residual factors for all reflections included in the refinement	0.1069
Goodness-of-fit parameter for all reflections included in the refinement	0.849
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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