Crystallography Open Database

Information card for entry 7130404

Preview

Coordinates	7130404.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H54 Cs1.27 N24 Ni8 O6
Calculated formula	C72 H54 Cs1.2744 N24 Ni8 O6
Title of publication	Anionic or neutral? The charge of Ni8 cubes in metal-organic framework compounds.
Authors of publication	Freund, Ralph; Kalytta-Mewes, Andreas; Kraft, Maryana; Volkmer, Dirk
Journal of publication	Chemical Communications
Year of publication	2022
a	25.4123 ± 0.0005 Å
b	25.4123 ± 0.0005 Å
c	25.4123 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	16410.9 ± 0.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	225
Hermann-Mauguin space group symbol	F m -3 m
Hall space group symbol	-F 4 2 3
Residual factor for all reflections	0.0425
Residual factor for significantly intense reflections	0.0388
Weighted residual factors for significantly intense reflections	0.1272
Weighted residual factors for all reflections included in the refinement	0.1306
Goodness-of-fit parameter for all reflections included in the refinement	1.105
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
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/7130404.html