Crystallography Open Database

Information card for entry 7027199

Preview

Coordinates	7027199.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H32 B Cl3 N6 O P Rh
Calculated formula	C29 H32 B Cl3 N6 O P Rh
SMILES	[Rh]1([P](C)(c2ccccc2)c2ccccc2)([n]2n([BH](n3[n]1c(c(Cl)c3C)C)n1nc(c(Cl)c1C)C)c(c(Cl)c2C)C)C#[O]
Title of publication	An unprecedented κ2N,H bonding mode for a hydridotris(pyrazolyl)borato ligand
Authors of publication	Malbosc, François; Kalck, Philippe; Daran, Jean-Claude; Etienne, Michel
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	1999
Journal issue	3
Pages of publication	271
a	9.0263 ± 0.0014 Å
b	10.4338 ± 0.0016 Å
c	17.2896 ± 0.0024 Å
α	88.912 ± 0.017°
β	85.958 ± 0.018°
γ	77.907 ± 0.018°
Cell volume	1588.2 ± 0.4 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0237
Weighted residual factors for significantly intense reflections	0.0273
Goodness-of-fit parameter for significantly intense reflections	1.0742
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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