Crystallography Open Database

Information card for entry 7245842

Preview

Coordinates	7245842.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H24 Br4 N2 Ni O2
Calculated formula	C30 H24 Br4 N2 Ni O2
Title of publication	Experimental and computational studies on pseudotetrahedral nickel(ii)-(S or R)-dihalogen-salicylaldiminates with Δ- or Λ-chirality induction at-metal
Authors of publication	Saadati, Arezoo; Amiri Rudbari, Hadi; Aryaeifar, Mahnaz; Blacque, Olivier; Correia, Isabel; Islam, Mohammad Khairul; Woschko, Dennis; Haj Hassani Sohi, Takin; Janiak, Christoph; Enamullah, Mohammed
Journal of publication	CrystEngComm
Year of publication	2023
Journal volume	25
Journal issue	3
Pages of publication	365 - 377
a	10.1024 ± 0.0002 Å
b	10.91929 ± 0.00018 Å
c	13.0659 ± 0.0003 Å
α	90°
β	106.645 ± 0.002°
γ	90°
Cell volume	1380.92 ± 0.05 Å³
Cell temperature	160 ± 1 K
Ambient diffraction temperature	160 ± 1 K
Number of distinct elements	6
Space group number	5
Hermann-Mauguin space group symbol	I 1 2 1
Hall space group symbol	I 2y
Residual factor for all reflections	0.0352
Residual factor for significantly intense reflections	0.0335
Weighted residual factors for significantly intense reflections	0.0841
Weighted residual factors for all reflections included in the refinement	0.0856
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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
281463 (current)	2023-03-04	cif/ Updating files of 7245842, 7245843, 7245844, 7245845, 7245846, 7245847 Original log message: Adding full bibliography for 7245842--7245847.cif.	7245842.cif
279334	2022-11-17	cif/ Adding structures of 7245842, 7245843, 7245844, 7245845, 7245846, 7245847 via cif-deposit CGI script.	7245842.cif