Crystallography Open Database

Information card for entry 4038977

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Coordinates	4038977.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H32 Fe3 O7 P4
Calculated formula	C45 H32 Fe3 O7 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	16.9095 ± 0.0003 Å
b	10.2409 ± 0.0002 Å
c	25.6135 ± 0.0005 Å
α	90°
β	109.037 ± 0.002°
γ	90°
Cell volume	4192.87 ± 0.15 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0824
Residual factor for significantly intense reflections	0.0455
Weighted residual factors for significantly intense reflections	0.0967
Weighted residual factors for all reflections included in the refinement	0.1128
Goodness-of-fit parameter for all reflections included in the refinement	1.016
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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