Crystallography Open Database

Information card for entry 7063821

Preview

Coordinates	7063821.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39.75 H45.51 Fe N4 Na O11
Calculated formula	C39.753 H45.506 Fe N4 Na O11
Title of publication	Visual detection of Hg2+ without interference by alkali and alkaline earth metal ions using an iron(iii) complex in a hetero-bimetallic environment
Authors of publication	Paik, Somnath; Ray, Manabendra
Journal of publication	New Journal of Chemistry
Year of publication	2025
Journal volume	49
Journal issue	23
Pages of publication	9980 - 9989
a	9.434 ± 0.003 Å
b	10.248 ± 0.003 Å
c	11.733 ± 0.004 Å
α	71.1 ± 0.009°
β	76.526 ± 0.008°
γ	86.091 ± 0.009°
Cell volume	1043.6 ± 0.6 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	6
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0807
Residual factor for significantly intense reflections	0.0544
Weighted residual factors for significantly intense reflections	0.0981
Weighted residual factors for all reflections included in the refinement	0.1116
Goodness-of-fit parameter for all reflections included in the refinement	1.084
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
301074 (current)	2025-07-06	cif/ Updating files of 7063821, 7063822, 7063823, 7063824 Original log message: Adding full bibliography for 7063821--7063824.cif.	7063821.cif
299860	2025-05-29	cif/ Adding structures of 7063821, 7063822, 7063823, 7063824 via cif-deposit CGI script.	7063821.cif