Crystallography Open Database

Information card for entry 8106462

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Coordinates	8106462.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H66 P4 Ti2
Calculated formula	C50 H66 P4 Ti2
Title of publication	Crystal structure of a P4-bridged (η 5-pentamethyl-cyclopentadienyl)(η 5-adamantylcyclopentadienyl) titanium(III)complex, C50H66P4Ti2
Authors of publication	Oswald, Tim; Beermann, Thomas; Saak, Wolfgang; Beckhaus, Rüdiger
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2017
Journal volume	232
Journal issue	1
Pages of publication	143 - 145
a	14.3799 ± 0.0005 Å
b	15.4444 ± 0.0006 Å
c	9.5555 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	2122.17 ± 0.16 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	4
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.0513
Residual factor for significantly intense reflections	0.0334
Weighted residual factors for significantly intense reflections	0.0628
Weighted residual factors for all reflections included in the refinement	0.0666
Goodness-of-fit parameter for all reflections included in the refinement	0.9
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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