Crystallography Open Database

Information card for entry 1549178

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Structure parameters

Chemical name	{Bis[2-(diisopropylphosphanyl)ethyl]amine}carbonyl(tetrahydroborato)cobalt(I)
Formula	C17 H41 B Co N O P2
Calculated formula	C17 H41 B Co N O P2
SMILES	[BH3][H][Co]12(C#[O])[NH](CC[P]1(C(C)C)C(C)C)CC[P]2(C(C)C)C(C)C
Title of publication	{Bis[2-(diisopropylphosphanyl)ethyl]amine}carbonyl(tetrahydroborato)cobalt(I)
Authors of publication	Junge, Kathrin; Cingolani, Andrea; Spannenberg, Anke; Beller, Matthias
Journal of publication	IUCrData
Year of publication	2018
Journal volume	3
Journal issue	3
Pages of publication	x180471
a	8.0249 ± 0.0002 Å
b	27.32 ± 0.0008 Å
c	10.3546 ± 0.0003 Å
α	90°
β	97.101 ± 0.001°
γ	90°
Cell volume	2252.73 ± 0.11 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0352
Residual factor for significantly intense reflections	0.0301
Weighted residual factors for significantly intense reflections	0.072
Weighted residual factors for all reflections included in the refinement	0.0746
Goodness-of-fit parameter for all reflections included in the refinement	1.08
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
207195 (current)	2018-03-30	cif/ hkl/ Adding structures of 1549178 via cif-deposit CGI script.	1549178.cif 1549178.hkl