Crystallography Open Database

Information card for entry 7013175

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Coordinates	7013175.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27.5 H41 B Cl N6 Nb
Calculated formula	C27.5 H37 B Cl N6 Nb
Title of publication	C‒H and C‒C agostic interactions in cycloalkyl tris(pyrazolyl)boratoniobium complexes
Authors of publication	Joëlle Jaffart; Marcus L. Cole; Michel Etienne; Meike Reinhold; John E. McGrady; Feliu Maseras
Journal of publication	Dalton Trans.
Year of publication	2003
Journal issue	21
Pages of publication	4057 - 4064
a	39.571 ± 0.005 Å
b	13.711 ± 0.001 Å
c	10.669 ± 0.001 Å
α	90°
β	96.52 ± 0.02°
γ	90°
Cell volume	5751.1 ± 1 Å³
Cell temperature	160 K
Ambient diffraction temperature	160 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 significantly intense reflections	0.034
Weighted residual factors for significantly intense reflections	0.0349
Goodness-of-fit parameter for significantly intense reflections	1.1384
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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