Crystallography Open Database

Information card for entry 4345509

Preview

Coordinates	4345509.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H8 Mn N2 O8 Re
Calculated formula	C20 H8 Mn N2 O8 Re
SMILES	C([Mn]1(C#[O])(C#[O])([n]2cccc3ccc4ccc[n]1c4c23)[Re](C#[O])(C#[O])(C#[O])(C#[O])C#[O])#[O]
Title of publication	Dinuclear PhotoCORMs: Dioxygen-Assisted Carbon Monoxide Uncaging from Long-Wavelength-Absorbing Metal‒Metal-Bonded Carbonyl Complexes
Authors of publication	Li, Zhi; Pierri, Agustin E.; Huang, Po-Ju; Wu, Guang; Iretskii, Alexei V.; Ford, Peter C.
Journal of publication	Inorganic Chemistry
Year of publication	2017
a	9.6988 ± 0.0009 Å
b	11.1599 ± 0.001 Å
c	18.8156 ± 0.0016 Å
α	88.928 ± 0.002°
β	84.634 ± 0.003°
γ	74.441 ± 0.002°
Cell volume	1953.3 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0429
Residual factor for significantly intense reflections	0.0297
Weighted residual factors for significantly intense reflections	0.0612
Weighted residual factors for all reflections included in the refinement	0.066
Goodness-of-fit parameter for all reflections included in the refinement	0.988
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
193988 (current)	2017-03-06	cif/ Adding structures of 4345509 via cif-deposit CGI script.	4345509.cif