Crystallography Open Database

Information card for entry 7721018

Preview

Coordinates	7721018.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H40 I Mo N O2 P2
Calculated formula	C28 H40 I Mo N O2 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 (Cambridge, England : 2003)
Year of publication	2026
Journal volume	55
Journal issue	20
Pages of publication	7816 - 7820
a	17.857 ± 0.007 Å
b	10.099 ± 0.004 Å
c	17.473 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	3151 ± 2 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	7
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.1232
Residual factor for significantly intense reflections	0.0888
Weighted residual factors for significantly intense reflections	0.2044
Weighted residual factors for all reflections included in the refinement	0.2325
Goodness-of-fit parameter for all reflections included in the refinement	1.153
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	7721018.cif
305926	2026-05-11	cif/ Adding structures of 7721018, 7721019, 7721020, 7721021 via cif-deposit CGI script.	7721018.cif