Crystallography Open Database

Information card for entry 7129298

Preview

Coordinates	7129298.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H54 N2 Ni O P2 Zn
Calculated formula	C50 H54 N2 Ni O P2 Zn
SMILES	[Zn]123N(c4c(cccc4C(C)C)C(C)C)C(=CC(=[N]2CC[P]([Ni]1([H]3)([P](c1ccccc1)(c1ccccc1)c1ccccc1)C#[O])(c1ccccc1)c1ccccc1)C)C
Title of publication	Nickel-catalyzed synthesis of Zn(i)–Zn(i) bonded compounds
Authors of publication	Jiang, Shengjie; Cai, Yanping; Carpentier, Ambre; del Rosal, Iker; Maron, Laurent; Xu, Xin
Journal of publication	Chemical Communications
Year of publication	2021
a	18.6425 ± 0.0015 Å
b	15.4043 ± 0.0013 Å
c	16.9677 ± 0.0014 Å
α	90°
β	113.062 ± 0.002°
γ	90°
Cell volume	4483.3 ± 0.6 Å³
Cell temperature	193 K
Ambient diffraction temperature	193 K
Number of distinct elements	7
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	0.1185
Residual factor for significantly intense reflections	0.0487
Weighted residual factors for significantly intense reflections	0.0931
Weighted residual factors for all reflections included in the refinement	0.1116
Goodness-of-fit parameter for all reflections included in the refinement	1.009
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
270862 (current)	2021-11-25	cif/ Adding structures of 7129296, 7129297, 7129298, 7129299, 7129300, 7129301, 7129302 via cif-deposit CGI script.	7129298.cif