Crystallography Open Database

Information card for entry 7131925

7131924 << 7131925 >> 7131926

Preview

Coordinates	7131925.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C344.4 H412.8 Br32 Cl4.8 Cu32 Fe6 N6 P30
Calculated formula	C344.4 H412.8 Br32 Cl4.8 Cu31.9996 Fe6 N6 P30
Title of publication	A lens-shaped supramolecule based on the bulky pentaphosphaferrocene [CpBIGFe(η5-P5)] and CuBr2
Authors of publication	Heinl, Sebastian; Peresypkina, Eugenia V.; Kremer, Werner; Scheer, Manfred
Journal of publication	Chemical Communications
Year of publication	2023
a	30.0348 ± 0.0004 Å
b	30.0348 ± 0.0004 Å
c	38.1116 ± 0.0009 Å
α	90°
β	90°
γ	120°
Cell volume	29774 ± 0.9 Å³
Cell temperature	123.02 ± 0.1 K
Ambient diffraction temperature	123.02 ± 0.1 K
Number of distinct elements	8
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0552
Residual factor for significantly intense reflections	0.0492
Weighted residual factors for significantly intense reflections	0.1553
Weighted residual factors for all reflections included in the refinement	0.1581
Goodness-of-fit parameter for all reflections included in the refinement	1.07
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7131925.html