Crystallography Open Database

Information card for entry 7052747

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Coordinates	7052747.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H39 B Cl3 Fe N
Calculated formula	C34 H39 B Cl3 Fe N
Title of publication	A sandwich complex of trimesitylborane Mes3B: synthesis, characterization and anion binding properties of Mes2B[(η6-Mes)FeCp]+
Authors of publication	Cao, Duxia; Zhao, Haiyan; Gabbaï, François P.
Journal of publication	New Journal of Chemistry
Year of publication	2011
Journal volume	35
Journal issue	10
Pages of publication	2299
a	14.5594 ± 0.0007 Å
b	13.9523 ± 0.0006 Å
c	15.6438 ± 0.0007 Å
α	90°
β	96.531 ± 0.001°
γ	90°
Cell volume	3157.2 ± 0.2 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0544
Residual factor for significantly intense reflections	0.0397
Weighted residual factors for significantly intense reflections	0.0988
Weighted residual factors for all reflections included in the refinement	0.1077
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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