Crystallography Open Database

Information card for entry 7063661

Preview

Coordinates	7063661.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H28 Cl N Ni O5 P2
Calculated formula	C39 H28 Cl N Ni O5 P2
Title of publication	N-(Methyl)phthalimide para functionalized Ni(ii)–POCOP pincer complexes. Synthesis, characterization and biological activity
Authors of publication	Amaya-Flórez, Andrés; Serrano-García, Juan S.; Ruiz-Galindo, Jordi; Arenaza-Corona, Antonino; Hernández-Ortega, Simón; Orjuela, Adrián L.; Alí-Torres, Jorge; Flores-Alamo, Marcos; Reyes-Márquez, Viviana; Morales-Morales, David
Journal of publication	New Journal of Chemistry
Year of publication	2025
Journal volume	49
Journal issue	13
Pages of publication	5173 - 5186
a	8.7072 ± 0.0003 Å
b	9.4954 ± 0.0004 Å
c	22.8387 ± 0.001 Å
α	84.987 ± 0.002°
β	80.985 ± 0.002°
γ	67.538 ± 0.002°
Cell volume	1722.67 ± 0.12 Å³
Cell temperature	297 ± 2 K
Ambient diffraction temperature	297 ± 2 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	0.0642
Residual factor for significantly intense reflections	0.0459
Weighted residual factors for significantly intense reflections	0.0905
Weighted residual factors for all reflections included in the refinement	0.0982
Goodness-of-fit parameter for all reflections included in the refinement	1.088
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
299020 (current)	2025-04-05	cif/ Updating files of 7063661, 7063662, 7063663 Original log message: Adding full bibliography for 7063661--7063663.cif.	7063661.cif
297739	2025-02-14	cif/ Adding structures of 7063661, 7063662, 7063663 via cif-deposit CGI script.	7063661.cif