Crystallography Open Database

Information card for entry 4088684

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Coordinates	4088684.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H41 Li O2 Zr
Calculated formula	C36 H41 Li O2 Zr
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	9.9544 ± 0.0002 Å
b	9.9584 ± 0.0002 Å
c	17.9494 ± 0.0005 Å
α	74.4529 ± 0.0009°
β	80.4795 ± 0.0008°
γ	64.7984 ± 0.0009°
Cell volume	1548.36 ± 0.06 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0453
Residual factor for significantly intense reflections	0.0387
Weighted residual factors for all reflections	0.0907
Weighted residual factors for significantly intense reflections	0.0871
Weighted residual factors for all reflections included in the refinement	0.0907
Goodness-of-fit parameter for all reflections included in the refinement	0.9006
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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