Crystallography Open Database

Information card for entry 7101231

Preview

Coordinates	7101231.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C93 H132 Cl Mn8 N23 Na2 O39
Calculated formula	C90 H108 Mn8 N23 Na2 O36
Title of publication	A series of new structural models for the OEC in photosystem II
Authors of publication	Ian J. Hewitt; Jin-Kui Tang; N. T. Madhu; Rodolphe Clérac; Gernot Buth; Christopher E. Anson; Annie K. Powell
Journal of publication	Chemical Communications
Year of publication	2006
Journal issue	25
a	13.7526 ± 0.0006 Å
b	14.125 ± 0.0007 Å
c	15.6463 ± 0.0007 Å
α	90.093 ± 0.001°
β	94.081 ± 0.001°
γ	110.122 ± 0.001°
Cell volume	2845.5 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0994
Residual factor for significantly intense reflections	0.0695
Weighted residual factors for significantly intense reflections	0.1961
Weighted residual factors for all reflections included in the refinement	0.2138
Goodness-of-fit parameter for all reflections included in the refinement	0.994
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/7101231.html