Crystallography Open Database

Information card for entry 7706944

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Coordinates	7706944.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H23 Fe O P Pd
Calculated formula	C26 H23 Fe O P Pd
Title of publication	Cyclopalladation of a ferrocene acylphosphine and the reactivity of the C-H activated products.
Authors of publication	Vosáhlo, Petr; Schulz, Jiří; Císařová, Ivana; Štěpnička, Petr
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	18
Pages of publication	6232 - 6244
a	8.5645 ± 0.0002 Å
b	9.8056 ± 0.0003 Å
c	13.6065 ± 0.0004 Å
α	103.482 ± 0.001°
β	101.283 ± 0.001°
γ	95.979 ± 0.001°
Cell volume	1076.19 ± 0.05 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0223
Residual factor for significantly intense reflections	0.0204
Weighted residual factors for significantly intense reflections	0.0485
Weighted residual factors for all reflections included in the refinement	0.0495
Goodness-of-fit parameter for all reflections included in the refinement	1.071
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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