Crystallography Open Database

Information card for entry 7706937

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Coordinates	7706937.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H19 Fe O P S
Calculated formula	C23 H19 Fe O P S
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	9.4321 ± 0.0004 Å
b	24.134 ± 0.0008 Å
c	9.3836 ± 0.0003 Å
α	90°
β	116.498 ± 0.001°
γ	90°
Cell volume	1911.64 ± 0.12 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
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	0.0296
Residual factor for significantly intense reflections	0.0263
Weighted residual factors for significantly intense reflections	0.0618
Weighted residual factors for all reflections included in the refinement	0.0631
Goodness-of-fit parameter for all reflections included in the refinement	1.075
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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