Crystallography Open Database

Information card for entry 7062325

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Coordinates	7062325.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H39 Fe O P Se
Calculated formula	C31 H39 Fe O P Se
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	13.6384 ± 0.0003 Å
b	11.0185 ± 0.0003 Å
c	17.3274 ± 0.0004 Å
α	90°
β	98.677 ± 0.001°
γ	90°
Cell volume	2574.07 ± 0.11 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	0.0274
Residual factor for significantly intense reflections	0.0262
Weighted residual factors for significantly intense reflections	0.0594
Weighted residual factors for all reflections included in the refinement	0.0598
Goodness-of-fit parameter for all reflections included in the refinement	1.156
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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