Crystallography Open Database

Information card for entry 7063944

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Coordinates	7063944.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H30 Cl Fe N2 P Pd
Calculated formula	C27 H30 Cl Fe N2 P Pd
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	13.2784 ± 0.0003 Å
b	11.1432 ± 0.0003 Å
c	17.1037 ± 0.0004 Å
α	90°
β	94.503 ± 0.001°
γ	90°
Cell volume	2522.92 ± 0.11 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	0.0265
Residual factor for significantly intense reflections	0.0254
Weighted residual factors for significantly intense reflections	0.0642
Weighted residual factors for all reflections included in the refinement	0.0649
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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