Crystallography Open Database

Information card for entry 7121613

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Coordinates	7121613.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H57 B F10 O3 Zr
Calculated formula	C49 H57 B F10 O3 Zr
Title of publication	Zirconocene mediated acetylboron chemistry.
Authors of publication	Jian, Zhongbao; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	45
Pages of publication	5724 - 5727
a	26.8923 ± 0.0013 Å
b	10.9665 ± 0.0005 Å
c	31.0978 ± 0.0014 Å
α	90°
β	94.806 ± 0.002°
γ	90°
Cell volume	9138.9 ± 0.7 Å³
Cell temperature	106 ± 2 K
Ambient diffraction temperature	106 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0608
Residual factor for significantly intense reflections	0.0382
Weighted residual factors for significantly intense reflections	0.0673
Weighted residual factors for all reflections included in the refinement	0.0735
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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