Crystallography Open Database

Information card for entry 7717351

Preview

Coordinates	7717351.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H30 D6 N6 Ni O5 S
Calculated formula	C34 H30 D6 N6 Ni O5 S
Title of publication	Synthesis and anion binding properties of (thio)urea functionalized Ni(II)-salen complexes.
Authors of publication	Payong, Jae Elise L.; Léonard, Nadia G; Anderson-Sanchez, Lauren M; Ziller, Joseph W.; Yang, Jenny Y.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2025
Journal volume	54
Journal issue	3
Pages of publication	934 - 941
a	18.2951 ± 0.0005 Å
b	8.766 ± 0.0003 Å
c	19.481 ± 0.0006 Å
α	90°
β	91.9571 ± 0.0005°
γ	90°
Cell volume	3122.44 ± 0.17 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	7
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	0.027
Residual factor for significantly intense reflections	0.0248
Weighted residual factors for significantly intense reflections	0.0687
Weighted residual factors for all reflections included in the refinement	0.0701
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
298941 (current)	2025-04-05	cif/ Updating files of 7717351, 7717352, 7717353, 7717354, 7717355 Original log message: Adding full bibliography for 7717351--7717355.cif.	7717351.cif
295729	2024-11-03	cif/ Adding structures of 7717351, 7717352, 7717353, 7717354, 7717355 via cif-deposit CGI script.	7717351.cif