Crystallography Open Database

Information card for entry 7712343

Preview

Coordinates	7712343.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C65 H46 Cl4 N2 Zn
Calculated formula	C65 H46 Cl4 N2 Zn
SMILES	[Zn]1(Cl)(Cl)[N](=C2C(=[N]1c1ccc(cc1)C(=C(c1ccccc1)c1ccccc1)c1ccccc1)c1cccc3cccc2c13)c1ccc(cc1)C(=C(c1ccccc1)c1ccccc1)c1ccccc1.ClCCl
Title of publication	Aggregation-induced emission of a bis(imino)acenaphthene zinc complex with tetraphenylethene units.
Authors of publication	Fumoto, Takuma; Tanaka, Ryo; Ooyama, Yousuke
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2023
Journal volume	52
Journal issue	16
Pages of publication	5047 - 5055
a	12.3907 ± 0.0003 Å
b	15.0562 ± 0.0003 Å
c	17.4004 ± 0.0005 Å
α	105.345 ± 0.002°
β	105.894 ± 0.002°
γ	97.538 ± 0.002°
Cell volume	2937.28 ± 0.14 Å³
Cell temperature	123 ± 0.1 K
Ambient diffraction temperature	123 ± 0.1 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	0.1014
Residual factor for significantly intense reflections	0.0671
Weighted residual factors for significantly intense reflections	0.1631
Weighted residual factors for all reflections included in the refinement	0.1765
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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
283309 (current)	2023-05-05	cif/ Updating files of 7712343, 7712344 Original log message: Adding full bibliography for 7712343--7712344.cif.	7712343.cif
281055	2023-02-21	cif/ Adding structures of 7712343, 7712344 via cif-deposit CGI script.	7712343.cif