Crystallography Open Database

Information card for entry 4309242

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Coordinates	4309242.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H96 O44 Zr13
Calculated formula	C36 O44 Zr13
Title of publication	Methyltriskaidecazirconates, Molecular Forms of Zirconia
Authors of publication	Victor W. Day; Walter G. Klemperer; Margaret Mary Pafford
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	5397 - 5404
a	17.2672 ± 0.0006 Å
b	17.2672 ± 0.0006 Å
c	27.4602 ± 0.0019 Å
α	90°
β	90°
γ	120°
Cell volume	7090.5 ± 0.6 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	4
Space group number	160
Hermann-Mauguin space group symbol	R 3 m :H
Hall space group symbol	R 3 -2"
Residual factor for all reflections	0.1413
Residual factor for significantly intense reflections	0.0506
Weighted residual factors for significantly intense reflections	0.1163
Weighted residual factors for all reflections included in the refinement	0.1387
Goodness-of-fit parameter for all reflections included in the refinement	0.869
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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