Crystallography Open Database

Information card for entry 7708416

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Coordinates	7708416.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C124 H94 B2 Cl8 F48 Fe2 N6 P2 Pt2
Calculated formula	C124 H94 B2 Cl8 F48 Fe2 N6 P2 Pt2
Title of publication	The protonation state governs the coordination of phosphinoferrocene guanidines
Authors of publication	Ondrej, Barta; Cisarova, Ivana; Štěpnička, Petr
Journal of publication	Dalton Transactions
Year of publication	2021
a	14.1749 ± 0.0004 Å
b	14.2935 ± 0.0004 Å
c	17.5227 ± 0.0004 Å
α	70.72 ± 0.001°
β	89.867 ± 0.001°
γ	83.515 ± 0.001°
Cell volume	3327.39 ± 0.15 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	9
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0318
Residual factor for significantly intense reflections	0.0281
Weighted residual factors for significantly intense reflections	0.0676
Weighted residual factors for all reflections included in the refinement	0.0695
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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