Crystallography Open Database

Information card for entry 4106665

Preview

Coordinates	4106665.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H31 Co Fe N12 O4.5
Calculated formula	C36 H31 Co Fe N12 O4.5
Title of publication	Redirecting Electron Transfer in Photosystem II from Water to Redox-Active Metal Complexes
Authors of publication	Gözde Ulas; Gary W. Brudvig
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	13260 - 13263
a	40.1663 ± 0.0007 Å
b	10.0105 ± 0.00018 Å
c	18.0352 ± 0.0013 Å
α	90°
β	99.864 ± 0.007°
γ	90°
Cell volume	7144.5 ± 0.6 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for significantly intense reflections	0.0377
Weighted residual factors for all reflections included in the refinement	0.0996
Goodness-of-fit parameter for all reflections included in the refinement	1.069
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4106665.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4106665.cif
53470	2012-04-20	cif/ Adding structures of 4106665 via cif-deposit CGI script.	4106665.cif