Crystallography Open Database

Information card for entry 7717730

Preview

Coordinates	7717730.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H40 Br2 N4 S2 Zn
Calculated formula	C42 H40 Br2 N4 S2 Zn
Title of publication	Fluorescent zinc(II) thione and selone complexes for light-emitting applications.
Authors of publication	Mandal, Suman; Lahkar, Bikash; Muduli, Gopendra; Rawat, Arushi; Sahu, Abhilash; Tsutsumi, Osamu; Prabusankar, Ganesan
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2025
Journal volume	54
Journal issue	4
Pages of publication	1384 - 1392
a	9.7737 ± 0.0015 Å
b	12.6125 ± 0.0019 Å
c	18.399 ± 0.003 Å
α	78.893 ± 0.005°
β	77.02 ± 0.005°
γ	74.82 ± 0.005°
Cell volume	2111.3 ± 0.6 Å³
Cell temperature	273.15 K
Ambient diffraction temperature	273.15 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1152
Residual factor for significantly intense reflections	0.0555
Weighted residual factors for significantly intense reflections	0.1249
Weighted residual factors for all reflections included in the refinement	0.1476
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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
298280 (current)	2025-03-04	cif/ Updating files of 7717729, 7717730, 7717731, 7717732 Original log message: Adding full bibliography for 7717729--7717732.cif.	7717730.cif
297010	2025-01-01	cif/ Adding structures of 7717729, 7717730, 7717731, 7717732 via cif-deposit CGI script.	7717730.cif