Crystallography Open Database

Information card for entry 7708524

Preview

Coordinates	7708524.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C130 H68 B2 F74 Fe4
Calculated formula	C130 H68 B2 F74 Fe4
Title of publication	Five Shades of Green: Substituent Influence on the (Spectro-) Electrochemical Properties of Diferrocenylphenyl Methylium Dyes
Authors of publication	Casper, Larissa Alina; Ebel, Viktoria; Linseis, Michael; Winter, Rainer
Journal of publication	Dalton Transactions
Year of publication	2021
a	13.5975 ± 0.0008 Å
b	14.23 ± 0.001 Å
c	19.866 ± 0.0015 Å
α	78.08 ± 0.006°
β	85.474 ± 0.006°
γ	66.115 ± 0.005°
Cell volume	3438.9 ± 0.4 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2232
Residual factor for significantly intense reflections	0.1202
Weighted residual factors for significantly intense reflections	0.3318
Weighted residual factors for all reflections included in the refinement	0.3944
Goodness-of-fit parameter for all reflections included in the refinement	1.102
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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