Crystallography Open Database

Information card for entry 4112009

4112008 << 4112009 >> 4112010

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Coordinates	4112009.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H30 B F20 V
Calculated formula	C44 H30 B F20 V
Title of publication	Naked (C5Me5)2M Cations (M = Sc, Ti, and V) and Their Fluoroarene Complexes
Authors of publication	Marco W. Bouwkamp; Peter H. M. Budzelaar; Jeroen Gercama; Isabel Del Hierro Morales; Jeanette de Wolf; Auke Meetsma; Sergei I. Troyanov; Jan H. Teuben; Bart Hessen
Journal of publication	Journal of the American Chemical Society
Year of publication	2005
Journal volume	127
Pages of publication	14310 - 14319
a	11.1664 ± 0.0007 Å
b	12.8945 ± 0.0008 Å
c	15.671 ± 0.001 Å
α	98.4 ± 0.001°
β	109.737 ± 0.001°
γ	102.362 ± 0.001°
Cell volume	2015.2 ± 0.2 Å³
Cell temperature	100 ± 1 K
Ambient diffraction temperature	100 ± 1 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	0.044
Residual factor for significantly intense reflections	0.0394
Weighted residual factors for significantly intense reflections	0.1052
Weighted residual factors for all reflections included in the refinement	0.1084
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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