Crystallography Open Database

Information card for entry 4083860

Preview

Coordinates	4083860.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H39 Fe P
Calculated formula	C24 H39 Fe P
Title of publication	Hydrogen Production Catalyzed by Bidirectional, Biomimetic Models of the [FeFe]-Hydrogenase Active Site.
Authors of publication	Lansing, James C.; Camara, James M.; Gray, Danielle E.; Rauchfuss, Thomas B.
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	20
Pages of publication	5897 - 5906
a	7.6482 ± 0.001 Å
b	17.062 ± 0.002 Å
c	8.8172 ± 0.0011 Å
α	90°
β	91.852 ± 0.002°
γ	90°
Cell volume	1150 ± 0.2 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0372
Residual factor for significantly intense reflections	0.0325
Weighted residual factors for significantly intense reflections	0.0759
Weighted residual factors for all reflections included in the refinement	0.0788
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4083860.html