Crystallography Open Database

Information card for entry 1548132

Preview

Coordinates	1548132.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H42 Mn
Calculated formula	C44 H42 Mn
SMILES	[Mn](c1c(cccc1c1c(cccc1C)C)c1c(cccc1C)C)c1c(cccc1c1c(cccc1C)C)c1c(cccc1C)C
Title of publication	Dehydrocoupling of dimethylamine‒borane promoted by manganese(ii) m-terphenyl complexes
Authors of publication	Sharpe, Helen R.; Geer, Ana M.; Blundell, Toby J.; Hastings, Fiona R.; Fay, Michael W.; Rance, Graham A.; Lewis, William; Blake, Alexander J.; Kays, Deborah L.
Journal of publication	Catalysis Science & Technology
Year of publication	2018
Journal volume	8
Journal issue	1
Pages of publication	229
a	10.52378 ± 0.00008 Å
b	10.52378 ± 0.00008 Å
c	30.7376 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	3404.19 ± 0.06 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	3
Space group number	78
Hermann-Mauguin space group symbol	P 43
Hall space group symbol	P 4cw
Residual factor for all reflections	0.0376
Residual factor for significantly intense reflections	0.0372
Weighted residual factors for significantly intense reflections	0.0995
Weighted residual factors for all reflections included in the refinement	0.0999
Goodness-of-fit parameter for all reflections included in the refinement	1.067
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Diffraction radiation X-ray symbol	K-L~2,3~
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
227960 (current)	2019-11-17	cif/ Updating files of 1548132 Original log message: Adding full bibliography for 1548132.cif.	1548132.cif
203397	2017-11-21	cif/ Adding structures of 1548132 via cif-deposit CGI script.	1548132.cif