Crystallography Open Database

Information card for entry 7048355

Preview

Coordinates	7048355.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C129 H106 Cl10 Fe8 N4 O2
Calculated formula	C129 H106 Cl10 Fe8 N4 O2
Title of publication	Diaqua-β-Octaferrocenyltetraphenylporphyrin: A Multiredox-active and Air-stable 16π Non-Aromat
Authors of publication	Rueffer, Tobias; Al-Shewiki, Rasha; Korb, Marcus; Hildebrandt, Alexander; Zahn, Stefan; Naumov, Sergej; Buschbeck, Roy; Lang, Heinrich
Journal of publication	Dalton Transactions
Year of publication	2018
a	15.1184 ± 0.0003 Å
b	23.6167 ± 0.0006 Å
c	15.6626 ± 0.0005 Å
α	90°
β	92.824 ± 0.002°
γ	90°
Cell volume	5585.5 ± 0.3 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1029
Residual factor for significantly intense reflections	0.0862
Weighted residual factors for significantly intense reflections	0.2215
Weighted residual factors for all reflections included in the refinement	0.2405
Goodness-of-fit parameter for all reflections included in the refinement	0.999
Diffraction radiation wavelength	1.54184 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/7048355.html