Crystallography Open Database

Information card for entry 7131020

Preview

Coordinates	7131020.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C78 H112 N10 Ni2 Si2
Calculated formula	C78 H112 N10 Ni2 Si2
SMILES	[Ni]12(N(c3c(C(C)C)cccc3C(C)C)[Si]3(N1c1c(C2(C)C)cccc1C(C)C)[N](=C(N3C(C)(C)C)c1ccccc1)C(C)(C)C)[N]#[N][Ni]12N(c3c(C(C)C)cccc3C(C)C)[Si]3(N1c1c(C2(C)C)cccc1C(C)C)[N](=C(N3C(C)(C)C)c1ccccc1)C(C)(C)C
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	15.2773 ± 0.0009 Å
b	16.5998 ± 0.0008 Å
c	18.2805 ± 0.001 Å
α	103.515 ± 0.005°
β	111.529 ± 0.005°
γ	96.493 ± 0.004°
Cell volume	4090.5 ± 0.4 Å³
Cell temperature	113.15 K
Ambient diffraction temperature	113.15 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	0.1312
Residual factor for significantly intense reflections	0.0682
Weighted residual factors for significantly intense reflections	0.1355
Weighted residual factors for all reflections included in the refinement	0.1615
Goodness-of-fit parameter for all reflections included in the refinement	1.005
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
298328 (current)	2025-03-07	cif/7: Fixing Z values and formulae	7131020.cif
279471	2022-11-23	cif/ Adding structures of 7131017, 7131018, 7131019, 7131020 via cif-deposit CGI script.	7131020.cif