Crystallography Open Database

Information card for entry 7130192

Preview

Coordinates	7130192.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H36 N2 O2 Zn
Calculated formula	C46 H36 N2 O2 Zn
SMILES	[Zn]12(Oc3c4c5c(ccc4ccc3C=[N]2[C@H](c2ccccc2)C)cccc5)Oc2c3c(ccc4c3cccc4)ccc2C=[N]1[C@H](c1ccccc1)C
Title of publication	Sign control of circularly polarized luminescence of chiral Schiff-base Zn(II) complexes through coordination geometry changes
Authors of publication	Ikeshita, Masahiro; Mizugaki, Momo; Ishikawa, Takahiro; Matsudaira, Kana; Kitahara, Maho; Imai, Yoshitane; Tsuno, Takashi
Journal of publication	Chemical Communications
Year of publication	2022
a	8.613 ± 0.0005 Å
b	14.1657 ± 0.0008 Å
c	28.4939 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	3476.5 ± 0.3 Å³
Cell temperature	173.15 K
Ambient diffraction temperature	173.15 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0696
Residual factor for significantly intense reflections	0.0509
Weighted residual factors for significantly intense reflections	0.0908
Weighted residual factors for all reflections included in the refinement	0.0964
Goodness-of-fit parameter for all reflections included in the refinement	1.0537
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
275773 (current)	2022-06-04	cif/ Adding structures of 7130189, 7130190, 7130191, 7130192 via cif-deposit CGI script.	7130192.cif