Crystallography Open Database

Information card for entry 7709194

Preview

Coordinates	7709194.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H24 Br2 Cl2 N2 O2 Zn
Calculated formula	C30 H24 Br2 Cl2 N2 O2 Zn
SMILES	Brc1c2c(cc(c1)Cl)C=[N]([C@@H](c1ccccc1)C)[Zn]1(O2)[N](=Cc2c(c(Br)cc(c2)Cl)O1)[C@@H](c1ccccc1)C
Title of publication	Pseudotetrahedral Zn(II)-(R or S)-dihalogen-salicylaldiminato complexes with Λ- or Δ-chirality induction at-metal
Authors of publication	Amiri Rudbari, Hadi; Saadati, Arezoo; Ariaeefar, Mahnaz; Blacque, Olivier; Correia, Isabel; Islam, Mohammad Khairul; Woschko, Dennis; Janiak, Christoph; Enamullah, Mohammed
Journal of publication	Dalton Transactions
Year of publication	2022
a	10.21573 ± 0.00014 Å
b	10.8824 ± 0.00013 Å
c	12.90981 ± 0.00018 Å
α	90°
β	107.218 ± 0.0014°
γ	90°
Cell volume	1370.89 ± 0.03 Å³
Cell temperature	160 ± 1 K
Ambient diffraction temperature	160 ± 1 K
Number of distinct elements	7
Space group number	5
Hermann-Mauguin space group symbol	I 1 2 1
Hall space group symbol	I 2y
Residual factor for all reflections	0.0186
Residual factor for significantly intense reflections	0.0185
Weighted residual factors for significantly intense reflections	0.0472
Weighted residual factors for all reflections included in the refinement	0.0473
Goodness-of-fit parameter for all reflections included in the refinement	1.056
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
271644 (current)	2021-12-29	cif/ Adding structures of 7709192, 7709193, 7709194, 7709195, 7709196, 7709197 via cif-deposit CGI script.	7709194.cif