Crystallography Open Database

Information card for entry 7048504

Preview

Coordinates	7048504.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H60 N6 O18 S4 Zn2
Calculated formula	C53 H60 N6 O18 S4 Zn2
Title of publication	A selective hydrolytic and restructuring approach through a Schiff base design on a coumarin platform for "turn-on" fluorogenic sensing of Zn<sup>2</sup>.
Authors of publication	Pandey, Abha; Asthana, Sharad Kumar; Prakash, Anand; Roy, Jagat Kumar; Tiwari, Ida; Upadhyay, K. K.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	6
Pages of publication	2068 - 2076
a	18.1235 ± 0.0008 Å
b	16.7124 ± 0.0007 Å
c	20.6274 ± 0.0009 Å
α	90°
β	102.8 ± 0.001°
γ	90°
Cell volume	6092.5 ± 0.5 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1274
Residual factor for significantly intense reflections	0.0672
Weighted residual factors for significantly intense reflections	0.1355
Weighted residual factors for all reflections included in the refinement	0.1553
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
224150 (current)	2019-11-07	cif/ Updating files of 7048502, 7048503, 7048504 Original log message: Adding full bibliography for 7048502--7048504.cif.	7048504.cif
212952	2019-01-11	cif/ Adding structures of 7048502, 7048503, 7048504 via cif-deposit CGI script.	7048504.cif