Crystallography Open Database

Information card for entry 7713442

Preview

Coordinates	7713442.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H18 Br Mn N2 O3
Calculated formula	C15 H18 Br Mn N2 O3
SMILES	Br[Mn]1([n]2cccc3CCCC([NH]1C(C)C)c23)(C#[O])(C#[O])C#[O]
Title of publication	Robust and efficient transfer hydrogenation of carbonyl compounds catalyzed by NN-Mn(I) complexes
Authors of publication	Wang, Zheng; Ma, Ning; Lu, Xiaochi; Liu, Ming; Liu, Tian; Liu, Qingbin; Solan, Gregory; Sun, Wen Hua
Journal of publication	Dalton Transactions
Year of publication	2023
a	21.7602 ± 0.0003 Å
b	12.71564 ± 0.00011 Å
c	16.6797 ± 0.0002 Å
α	90°
β	111.059 ± 0.0014°
γ	90°
Cell volume	4306.95 ± 0.1 Å³
Cell temperature	169.99 ± 0.1 K
Ambient diffraction temperature	169.99 ± 0.1 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0351
Residual factor for significantly intense reflections	0.0337
Weighted residual factors for significantly intense reflections	0.0953
Weighted residual factors for all reflections included in the refinement	0.0962
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
285187 (current)	2023-07-13	cif/ Adding structures of 7713441, 7713442 via cif-deposit CGI script.	7713442.cif