Crystallography Open Database

Information card for entry 7110259

Preview

Coordinates	7110259.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41.5 H34 Cl Fe3 O4 P2 S2
Calculated formula	C41.5 H34 Cl Fe3 O4 P2 S2
Title of publication	Hydrogenase biomimetics: Fe2(CO)4(mu-dppf)(mu-pdt) (dppf = 1,1'-bis(diphenylphosphino)ferrocene) both a proton-reduction and hydrogen oxidation catalyst
Authors of publication	Shishir Ghosh; Graeme Hogarth; Nathan Hollingsworth; Katherine B. Holt; Shariff E. Kabir; Ben E. Sanchez
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	945
a	9.7365 ± 0.0019 Å
b	13.149 ± 0.003 Å
c	16.654 ± 0.003 Å
α	99.609 ± 0.003°
β	94.376 ± 0.003°
γ	111.343 ± 0.003°
Cell volume	1936.1 ± 0.7 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0374
Residual factor for significantly intense reflections	0.0345
Weighted residual factors for significantly intense reflections	0.0911
Weighted residual factors for all reflections included in the refinement	0.0929
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7110259.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7110259.cif
93862	2014-01-20	cif/ Adding structures of 7110259 via cif-deposit CGI script.	7110259.cif