Crystallography Open Database

Information card for entry 7708264

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Coordinates	7708264.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H36 B F4 Mn O3 P2
Calculated formula	C23 H36 B F4 Mn O3 P2
Title of publication	Manganese and Iron PCP Pincer Complexes ‒ The Influence of Sterics on Structure and Reactivity
Authors of publication	Eder, Wolfgang; Himmelbauer, Daniel; Stöger, Berthold; Veiros, Luis F.; Pignitter, Marc; Kirchner, Karl
Journal of publication	Dalton Transactions
Year of publication	2021
a	9.8863 ± 0.0009 Å
b	11.437 ± 0.001 Å
c	11.5482 ± 0.001 Å
α	90°
β	95.448 ± 0.003°
γ	90°
Cell volume	1299.9 ± 0.2 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	7
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0611
Residual factor for significantly intense reflections	0.0411
Weighted residual factors for significantly intense reflections	0.0747
Weighted residual factors for all reflections included in the refinement	0.0816
Goodness-of-fit parameter for all reflections included in the refinement	0.977
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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