Crystallography Open Database

Information card for entry 7708606

Preview

Coordinates	7708606.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Zn-C
Formula	C42 H58 N4 P2 Zn2
Calculated formula	C42 H58 N4 P2 Zn2
SMILES	[Zn]1([N](=C(P(c2ccccc2)c2ccccc2)N([Zn]([N](=C(P(c2ccccc2)c2ccccc2)N1C(C)C)C(C)C)CC)C(C)C)C(C)C)CC
Title of publication	An Efficient Catalytic Method for Hydrophosphination of Heterocumulenes with Diethylzinc as Precatalyst without a Solvent
Authors of publication	Zhang, Bingyi; Roesky, Herbert W.; Ma, Xiaoli; Yan, Ben; Ni, Congjian; Yu, Hailong; Yang, Zhi
Journal of publication	Dalton Transactions
Year of publication	2021
a	8.4939 ± 0.0004 Å
b	14.3347 ± 0.0007 Å
c	18.6216 ± 0.0009 Å
α	101.438 ± 0.002°
β	98.239 ± 0.002°
γ	106.04 ± 0.001°
Cell volume	2088.01 ± 0.18 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 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	0.034
Residual factor for significantly intense reflections	0.0271
Weighted residual factors for significantly intense reflections	0.0669
Weighted residual factors for all reflections included in the refinement	0.0689
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
270118 (current)	2021-10-29	cif/ Adding structures of 7708606 via cif-deposit CGI script.	7708606.cif