Crystallography Open Database

Information card for entry 7063945

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Coordinates	7063945.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H27 Cl2 Fe N2 Ni P
Calculated formula	C26 H27 Cl2 Fe N2 Ni P
Title of publication	Synthesis and coordination behaviour of a protic phosphinoferrocene amidine
Authors of publication	Leitner, Zdeněk; Císařová, Ivana; Kalbáčová Vejpravová, Jana; Štěpnička, Petr
Journal of publication	New Journal of Chemistry
Year of publication	2025
Journal volume	49
Journal issue	36
Pages of publication	15723 - 15735
a	9.1189 ± 0.0005 Å
b	24.8822 ± 0.0011 Å
c	11.6949 ± 0.0006 Å
α	90°
β	111.157 ± 0.0016°
γ	90°
Cell volume	2474.7 ± 0.2 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0293
Residual factor for significantly intense reflections	0.029
Weighted residual factors for significantly intense reflections	0.0683
Weighted residual factors for all reflections included in the refinement	0.0684
Goodness-of-fit parameter for all reflections included in the refinement	1.2
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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