Crystallography Open Database

Information card for entry 7131018

Preview

Coordinates	7131018.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H65 N5 Ni Si
Calculated formula	C48 H65 N5 Ni Si
SMILES	[Ni]12(N([Si]3([N](C(C)(C)C)=C(N3C(C)(C)C)c3ccccc3)N1c1c(cccc1C(C)C)C(C)C)c1c(C2(C)C)cccc1C(C)C)C#[N]c1c(C)cccc1C
Title of publication	Synthesis and reactivity of a -1,2-dinitrogen dinickel(II) complex with C-H activated silaamidinate pincer ligand
Authors of publication	Hu , Chaopeng; Ding, Yazhou; Bai, Yunping; Guo, Lulu; Cui, Chunming
Journal of publication	Chemical Communications
Year of publication	2022
a	24.045 ± 0.002 Å
b	12.0991 ± 0.0016 Å
c	15.7064 ± 0.0015 Å
α	90°
β	100.38 ± 0.009°
γ	90°
Cell volume	4494.6 ± 0.8 Å³
Cell temperature	113.15 K
Ambient diffraction temperature	113.15 K
Number of distinct elements	5
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	0.1788
Residual factor for significantly intense reflections	0.1081
Weighted residual factors for significantly intense reflections	0.2358
Weighted residual factors for all reflections included in the refinement	0.2783
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation probe	x-ray
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
279471 (current)	2022-11-23	cif/ Adding structures of 7131017, 7131018, 7131019, 7131020 via cif-deposit CGI script.	7131018.cif