Crystallography Open Database

Information card for entry 1572729

Preview

Coordinates	1572729.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C207 H205 Cu9 N2 Na4 O49.5 P4 Si20
Calculated formula	C207 H205 Cu9 N2 Na4 O49.5 P4 Si20
Title of publication	An ionic Cu<sub>9</sub>Na<sub>4</sub>-phenylsilsesquioxane/bis(triphenylphosphine)iminium complex: synthesis, unique structure, and catalytic activity.
Authors of publication	Bilyachenko, Alexey N.; Khrustalev, Victor N.; Huang, Zhibin; Dubinina, Kristina D.; Shubina, Elena S.; Lobanov, Nikolai N.; Sun, Di; Alegria, Elisabete C. B. A.; Pombeiro, Armando J. L.
Journal of publication	Nanoscale
Year of publication	2024
Journal volume	16
Journal issue	41
Pages of publication	19266 - 19275
a	16.3354 ± 0.0009 Å
b	24.6172 ± 0.0013 Å
c	28.7146 ± 0.0015 Å
α	75.3941 ± 0.0012°
β	87.8609 ± 0.0013°
γ	89.5919 ± 0.0012°
Cell volume	11166.1 ± 1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1898
Residual factor for significantly intense reflections	0.1034
Weighted residual factors for significantly intense reflections	0.2066
Weighted residual factors for all reflections included in the refinement	0.2383
Goodness-of-fit parameter for all reflections included in the refinement	1.059
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
296615 (current)	2024-12-06	cif/ Updating files of 1572729 Original log message: Adding full bibliography for 1572729.cif.	1572729.cif
294977	2024-10-02	cif/ Adding structures of 1572729 via cif-deposit CGI script.	1572729.cif