Crystallography Open Database

Information card for entry 4336380

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Coordinates	4336380.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H81 Cd2 Cl3 N20 O13
Calculated formula	C63.996 H80.994 Cd2 Cl3 N19.998 O13
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	10.8807 ± 0.0005 Å
b	13.4098 ± 0.0006 Å
c	13.9681 ± 0.0007 Å
α	78.558 ± 0.001°
β	70.097 ± 0.001°
γ	85.428 ± 0.001°
Cell volume	1878.08 ± 0.15 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0384
Residual factor for significantly intense reflections	0.0347
Weighted residual factors for significantly intense reflections	0.0926
Weighted residual factors for all reflections included in the refinement	0.0957
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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