Crystallography Open Database

Information card for entry 1563869

Preview

Coordinates	1563869.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H42 Br2 Cl2 N2 Ni
Calculated formula	C33 H42 Br2 Cl2 N2 Ni
SMILES	c12cccc3cccc(c13)C1C2=[N]([C@H]2C[C@H]3CC[C@@]2(C3(C)C)C)[Ni]([N]=1[C@H]1C[C@H]2CC[C@@]1(C2(C)C)C)(Br)Br.ClCCl
Title of publication	A chiral ligand accessible in one step: Synthesis of bis-((R)-(+)-bornyl)acenaphthenequinonediimine and of its zinc and nickel complexes
Authors of publication	Viganò, Marta; Ferretti, Francesco; Ragaini, Fabio; Macchi, Piero
Journal of publication	Inorganica Chimica Acta
Year of publication	2018
Journal volume	483
Pages of publication	305 - 309
a	10.9426 ± 0.0002 Å
b	13.3077 ± 0.0003 Å
c	11.2608 ± 0.0003 Å
α	90°
β	97.709 ± 0.002°
γ	90°
Cell volume	1624.99 ± 0.06 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0841
Residual factor for significantly intense reflections	0.0661
Weighted residual factors for significantly intense reflections	0.164
Weighted residual factors for all reflections included in the refinement	0.182
Goodness-of-fit parameter for all reflections included in the refinement	1.017
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
266889 (current)	2021-07-02	cif/ Adding structures of 1563869 via cif-deposit CGI script.	1563869.cif