Crystallography Open Database

Information card for entry 4135159

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Structure parameters

Formula	C29 H60 N2 P2 Si2 Zn
Calculated formula	C29 H60 N2 P2 Si2 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)N([Si](C)(C)C)[Si](C)(C)C
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	20.4697 ± 0.0003 Å
b	12.0184 ± 0.0002 Å
c	14.2193 ± 0.0002 Å
α	90°
β	92.954 ± 0.001°
γ	90°
Cell volume	3493.49 ± 0.09 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0435
Residual factor for significantly intense reflections	0.0419
Weighted residual factors for significantly intense reflections	0.1093
Weighted residual factors for all reflections included in the refinement	0.1103
Goodness-of-fit parameter for all reflections included in the refinement	1.054
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
301835 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/13/ Each referenced PubChem compound corresponds to the full crystal structure.	4135159.cif
255410	2020-08-18	cif/ Adding structures of 4135156, 4135157, 4135158, 4135159, 4135160 via cif-deposit CGI script.	4135159.cif