Crystallography Open Database

Information card for entry 7718350

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Coordinates	7718350.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C82.5 H46 Br F39 Mn N5
Calculated formula	C82.5 H46 Br F39 Mn N5
Title of publication	A mixed isocyanide Mn(I) complex and its reduction to a metallate.
Authors of publication	Claude, Guilhem; Ellwanger, Mathias A.; Grippo, Adam; Hernandez, Ritchie; Figueroa, Joshua R.; Abram, Ulrich
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2025
Journal volume	54
Journal issue	15
Pages of publication	6025 - 6028
a	12.7013 ± 0.0003 Å
b	13.2387 ± 0.0003 Å
c	24.4356 ± 0.0006 Å
α	87.59 ± 0.001°
β	88.903 ± 0.001°
γ	83.941 ± 0.001°
Cell volume	4081.8 ± 0.17 Å³
Cell temperature	126 K
Ambient diffraction temperature	126 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.058
Residual factor for significantly intense reflections	0.0506
Weighted residual factors for significantly intense reflections	0.1424
Weighted residual factors for all reflections included in the refinement	0.1521
Goodness-of-fit parameter for all reflections included in the refinement	1.086
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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