Crystallography Open Database

Information card for entry 7101229

Preview

Coordinates	7101229.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40.7 H66.8 Ca Cl3.8 Mn4 N3 O19.2
Calculated formula	C40.7 H42 Ca Cl3.8 Mn4 N3 O19.2
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	12.759 ± 0.0012 Å
b	14.3574 ± 0.0014 Å
c	15.6647 ± 0.0017 Å
α	88.148 ± 0.009°
β	83.9 ± 0.008°
γ	82.349 ± 0.008°
Cell volume	2827.4 ± 0.5 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	0.134
Residual factor for significantly intense reflections	0.0849
Weighted residual factors for significantly intense reflections	0.197
Weighted residual factors for all reflections included in the refinement	0.2277
Goodness-of-fit parameter for all reflections included in the refinement	1.076
Diffraction radiation wavelength	0.79999 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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