Crystallography Open Database

Information card for entry 7129300

Preview

Coordinates	7129300.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H80 N4 Ni O2 P2 Zn2
Calculated formula	C66 H80 N4 Ni O2 P2 Zn2
SMILES	[Zn]12N(C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)CCC[P]([Ni]([P](CCCN1[Zn]2[N](=C(C)C=C1C)c1c(cccc1C(C)C)C(C)C)(c1ccccc1)c1ccccc1)(C#[O])C#[O])(c1ccccc1)c1ccccc1
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	8.8752 ± 0.0004 Å
b	14.3633 ± 0.0006 Å
c	48.0556 ± 0.0019 Å
α	90°
β	90.024 ± 0.001°
γ	90°
Cell volume	6126 ± 0.4 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.065
Residual factor for significantly intense reflections	0.0366
Weighted residual factors for significantly intense reflections	0.0697
Weighted residual factors for all reflections included in the refinement	0.0869
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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.	7129300.cif