Crystallography Open Database

Information card for entry 7062327

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Coordinates	7062327.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H57 Au Cl Fe O P
Calculated formula	C40 H57 Au Cl Fe O P
Title of publication	Assessing the role of substituents in ferrocene acylphosphines and their impact on gold-catalysed reactions
Authors of publication	Vosáhlo, Petr; Štěpnička, Petr
Journal of publication	New Journal of Chemistry
Year of publication	2023
Journal volume	47
Journal issue	9
Pages of publication	4510 - 4520
a	11.2049 ± 0.0009 Å
b	12.2057 ± 0.001 Å
c	13.8158 ± 0.001 Å
α	82.383 ± 0.002°
β	78.024 ± 0.002°
γ	76.254 ± 0.002°
Cell volume	1788.5 ± 0.2 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0306
Residual factor for significantly intense reflections	0.0296
Weighted residual factors for significantly intense reflections	0.0929
Weighted residual factors for all reflections included in the refinement	0.0937
Goodness-of-fit parameter for all reflections included in the refinement	1.121
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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