Crystallography Open Database

Information card for entry 7708421

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Coordinates	7708421.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H39 Br Cl3 Fe N4 P Pd
Calculated formula	C37 H39 Br Cl3 Fe N4 P Pd
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	11.4217 ± 0.0005 Å
b	12.2753 ± 0.0005 Å
c	13.582 ± 0.0006 Å
α	88.887 ± 0.001°
β	84.124 ± 0.002°
γ	86.811 ± 0.001°
Cell volume	1891.14 ± 0.14 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0259
Residual factor for significantly intense reflections	0.0249
Weighted residual factors for significantly intense reflections	0.0707
Weighted residual factors for all reflections included in the refinement	0.0714
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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