Crystallography Open Database

Information card for entry 4038976

Preview

Coordinates	4038976.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H36 Cl2 Fe3 O8 P4
Calculated formula	C50 H36 Cl2 Fe3 O8 P4
Title of publication	Proton reduction by phosphinidene-capped triiron clusters
Authors of publication	Rahaman, Ahibur; Lisensky, George C.; Haukka, Matti; Tocher, Derek A.; Richmond, Michael G.; Colbran, Stephen B.; Nordlander, Ebbe
Journal of publication	Journal of Organometallic Chemistry
Year of publication	2021
Journal volume	943
Pages of publication	121816
a	11.1306 ± 0.0002 Å
b	12.3357 ± 0.0002 Å
c	18.7045 ± 0.0003 Å
α	75.087 ± 0.001°
β	81.135 ± 0.001°
γ	74.475 ± 0.001°
Cell volume	2381.11 ± 0.07 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 ± 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	0.0701
Residual factor for significantly intense reflections	0.0533
Weighted residual factors for significantly intense reflections	0.1208
Weighted residual factors for all reflections included in the refinement	0.1316
Goodness-of-fit parameter for all reflections included in the refinement	1.087
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4038976.html