Crystallography Open Database

Information card for entry 1571587

Preview

Coordinates	1571587.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	CIH-Zn
Formula	C34 H24 F N6 O11 P Zn2
Calculated formula	C34 H24 F N6 O11 P Zn2
Title of publication	A highly selective coumarin-based chemosensor for dual sensing of Cu<sup>2+</sup> and Zn<sup>2+</sup> ions with logic gate integration and live cell imaging.
Authors of publication	Singh, Avanish Kumar; Singh, Amit Kumar; Sharma, Shashi Kant; Sonkar, Vijay Kumar; Singh, Vinod P.
Journal of publication	Analytical methods : advancing methods and applications
Year of publication	2024
Journal volume	16
Journal issue	27
Pages of publication	4551 - 4560
a	11.6235 ± 0.0003 Å
b	12.0608 ± 0.0005 Å
c	16.9201 ± 0.0007 Å
α	77.785 ± 0.004°
β	87.986 ± 0.003°
γ	77.824 ± 0.003°
Cell volume	2266.04 ± 0.15 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0821
Residual factor for significantly intense reflections	0.0665
Weighted residual factors for significantly intense reflections	0.1947
Weighted residual factors for all reflections included in the refinement	0.2047
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
293668 (current)	2024-08-05	cif/ Updating files of 1571587 Original log message: Adding full bibliography for 1571587.cif.	1571587.cif
291772	2024-05-09	cif/ Adding structures of 1571587 via cif-deposit CGI script.	1571587.cif