Crystallography Open Database

Information card for entry 4088685

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Coordinates	4088685.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H69 Hf Li O8
Calculated formula	C51 H69 Hf Li O8
Title of publication	Zirconium and Hafnium Permethylpentalene Compounds
Authors of publication	Chadwick, F. Mark; Cooper, Robert T.; O’Hare, Dermot
Journal of publication	Organometallics
Year of publication	2016
Journal volume	35
Journal issue	12
Pages of publication	2092
a	10.009 ± 0.0001 Å
b	21.7049 ± 0.0002 Å
c	22.2006 ± 0.0002 Å
α	90°
β	94.0623 ± 0.0008°
γ	90°
Cell volume	4810.84 ± 0.08 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0265
Residual factor for significantly intense reflections	0.0259
Weighted residual factors for all reflections	0.0677
Weighted residual factors for significantly intense reflections	0.0673
Weighted residual factors for all reflections included in the refinement	0.0677
Goodness-of-fit parameter for all reflections included in the refinement	0.9593
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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