Crystallography Open Database

Information card for entry 4135157

Preview

Coordinates	4135157.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H47 N P2 Zn
Calculated formula	C25 H47 N P2 Zn
SMILES	[Zn]1(P(=Cc2[n]1c(ccc2)C[P](C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C)CC
Title of publication	Metal-Ligand Cooperation Facilitates Bond Activation and Catalytic Hydrogenation with Zinc Pincer Complexes.
Authors of publication	Rauch, Michael; Kar, Sayan; Kumar, Amit; Avram, Liat; Shimon, Linda J. W.; Milstein, David
Journal of publication	Journal of the American Chemical Society
Year of publication	2020
a	10.6779 ± 0.0003 Å
b	11.669 ± 0.0003 Å
c	11.7338 ± 0.0003 Å
α	84.721 ± 0.002°
β	79.833 ± 0.002°
γ	72.012 ± 0.002°
Cell volume	1367.64 ± 0.07 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0381
Residual factor for significantly intense reflections	0.0367
Weighted residual factors for significantly intense reflections	0.1003
Weighted residual factors for all reflections included in the refinement	0.1021
Goodness-of-fit parameter for all reflections included in the refinement	1.064
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
255410 (current)	2020-08-18	cif/ Adding structures of 4135156, 4135157, 4135158, 4135159, 4135160 via cif-deposit CGI script.	4135157.cif