Crystallography Open Database

Information card for entry 7721019

Preview

Coordinates	7721019.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H80 Br2 Mo2 N2 P4
Calculated formula	C52 H80 Br2 Mo2 N2 P4
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 (Cambridge, England : 2003)
Year of publication	2026
Journal volume	55
Journal issue	20
Pages of publication	7816 - 7820
a	11.3371 ± 0.0008 Å
b	12.9335 ± 0.001 Å
c	20.1041 ± 0.0015 Å
α	80.153 ± 0.002°
β	73.683 ± 0.001°
γ	69.574 ± 0.001°
Cell volume	2642.5 ± 0.3 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 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	0.0469
Residual factor for significantly intense reflections	0.0357
Weighted residual factors for significantly intense reflections	0.083
Weighted residual factors for all reflections included in the refinement	0.0863
Goodness-of-fit parameter for all reflections included in the refinement	1.005
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
306407 (current)	2026-06-05	cif/ Updating files of 7721018, 7721019, 7721020, 7721021 Original log message: Adding full bibliography for 7721018--7721021.cif.	7721019.cif
305926	2026-05-11	cif/ Adding structures of 7721018, 7721019, 7721020, 7721021 via cif-deposit CGI script.	7721019.cif