Crystallography Open Database

Information card for entry 7042833

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Coordinates	7042833.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H40 B Fe N O P2
Calculated formula	C17 H40 B Fe N O P2
SMILES	[BH2]1[FeH2]23(C#[O])[N]1(CC[P]3(C(C)C)C(C)C)CC[P]2(C(C)C)C(C)C
Title of publication	Formation of high-molecular weight polyaminoborane by Fe hydride catalysed dehydrocoupling of methylamine borane
Authors of publication	Anke, Felix; Han, Delong; Klahn, Marcus; Spannenberg, Anke; Beweries, Torsten
Journal of publication	Dalton Trans.
Year of publication	2017
a	14.0128 ± 0.0009 Å
b	15.5058 ± 0.001 Å
c	20.1206 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	4371.8 ± 0.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0252
Residual factor for significantly intense reflections	0.0225
Weighted residual factors for significantly intense reflections	0.0551
Weighted residual factors for all reflections included in the refinement	0.0567
Goodness-of-fit parameter for all reflections included in the refinement	1.015
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
195841 (current)	2017-04-28	cif/ Adding structures of 7042833 via cif-deposit CGI script.	7042833.cif