Crystallography Open Database

Information card for entry 7250660

Preview

Coordinates	7250660.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H40 Mn N2 O2 P2
Calculated formula	C46 H40 Mn N2 O2 P2
Title of publication	1,2-Diaminocyclohexane-derived chiral tetradentate ligands for Mn(i)-catalyzed asymmetric hydrogenation of ketones
Authors of publication	Su, Yi; Zhu, Dongzhi; Ma, Zhifeng; Wang, Yizhou; Wang, Zechen; Wang, Zheng; Ma, Yanping; Sun, Wen-Hua
Journal of publication	RSC Advances
Year of publication	2025
Journal volume	15
Journal issue	28
Pages of publication	23097 - 23102
a	17.5937 ± 0.0003 Å
b	17.5937 ± 0.0003 Å
c	29.4019 ± 0.0007 Å
α	90°
β	90°
γ	120°
Cell volume	7881.7 ± 0.3 Å³
Cell temperature	169.99 ± 0.1 K
Ambient diffraction temperature	169.99 ± 0.1 K
Number of distinct elements	6
Space group number	152
Hermann-Mauguin space group symbol	P 31 2 1
Hall space group symbol	P 31 2"
Residual factor for all reflections	0.0796
Residual factor for significantly intense reflections	0.0674
Weighted residual factors for significantly intense reflections	0.1839
Weighted residual factors for all reflections included in the refinement	0.194
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
300356 (current)	2025-07-05	cif/ Adding structures of 7250660 via cif-deposit CGI script.	7250660.cif