Crystallography Open Database

Information card for entry 7128296

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Coordinates	7128296.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H74.67 As P Ti
Calculated formula	C43 H56 As P Ti
Title of publication	Titanocene pnictinidene complexes.
Authors of publication	Fischer, Malte; Reiß, Fabian; Hering-Junghans, Christian
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2021
Journal volume	57
Journal issue	46
Pages of publication	5626 - 5629
a	17.7808 ± 0.0005 Å
b	19.3646 ± 0.0005 Å
c	21.7658 ± 0.0005 Å
α	79.424 ± 0.002°
β	81.436 ± 0.002°
γ	89.781 ± 0.002°
Cell volume	7282.8 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 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	0.0711
Residual factor for significantly intense reflections	0.0505
Weighted residual factors for significantly intense reflections	0.1275
Weighted residual factors for all reflections included in the refinement	0.1423
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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