Crystallography Open Database

Information card for entry 4065676

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Coordinates	4065676.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H15 Mn O5 S2
Calculated formula	C19 H15 Mn O5 S2
Title of publication	Synthesis and Reactivity of (η5-Hydroxyalkylcyclohexadienyl)Mn(CO)3Complexes
Authors of publication	Cetiner, Derya; Norel, Lucie; Tranchier, Jean-Philippe; Rose-Munch, Françoise; Rose, Eric; Herson, Patrick
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	7
Pages of publication	1778
a	9.0856 ± 0.0007 Å
b	10.5404 ± 0.001 Å
c	11.8873 ± 0.0008 Å
α	101.426 ± 0.006°
β	103.627 ± 0.007°
γ	113.916 ± 0.006°
Cell volume	954.53 ± 0.16 Å³
Cell temperature	295 K
Ambient diffraction temperature	295 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1336
Residual factor for significantly intense reflections	0.0669
Weighted residual factors for all reflections	0.1057
Weighted residual factors for significantly intense reflections	0.0676
Weighted residual factors for all reflections included in the refinement	0.063
Goodness-of-fit parameter for all reflections included in the refinement	1.1273
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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