Crystallography Open Database

Information card for entry 7033849

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Coordinates	7033849.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C73 H142 Ca2 Mn6 O42
Calculated formula	C73 H142 Ca2 Mn6 O42
Title of publication	Artificial synthetic Mn(IV)Ca-oxido complexes mimic the oxygen-evolving complex in photosystem II.
Authors of publication	Chen, Changhui; Zhang, Chunxi; Dong, Hongxing; Zhao, Jingquan
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	10
Pages of publication	4431 - 4435
a	26.486 ± 0.005 Å
b	30.822 ± 0.006 Å
c	26.925 ± 0.004 Å
α	90°
β	109.39 ± 0.02°
γ	90°
Cell volume	20734 ± 7 Å³
Cell temperature	173.15 K
Ambient diffraction temperature	173.15 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.1297
Residual factor for significantly intense reflections	0.1067
Weighted residual factors for significantly intense reflections	0.1816
Weighted residual factors for all reflections included in the refinement	0.1914
Goodness-of-fit parameter for all reflections included in the refinement	1.262
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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