Crystallography Open Database

Information card for entry 7721020

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Coordinates	7721020.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H40 Br Mo N O P2
Calculated formula	C26 H40 Br Mo N O P2
Title of publication	A metal-metal quadruply bonded dimer of two pincer-ligated metal centers
Authors of publication	Mandal, Souvik; Song, Ethan Y.; Emge, Thomas J.; Hasanayn, Faraj; Goldman, Alan S.
Journal of publication	Dalton Transactions
Year of publication	2026
a	11.4244 ± 0.0003 Å
b	9.587 ± 0.0003 Å
c	12.5215 ± 0.0003 Å
α	90°
β	97.018 ± 0.002°
γ	90°
Cell volume	1361.15 ± 0.06 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	7
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.054
Residual factor for significantly intense reflections	0.0512
Weighted residual factors for significantly intense reflections	0.1475
Weighted residual factors for all reflections included in the refinement	0.1497
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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