Crystallography Open Database

Information card for entry 4060177

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Coordinates	Coordinates are not available: file is not found.

Structure parameters

Formula	C35 H26 Co4 Fe O12 S2
Calculated formula	C35 H26 Co4 Fe O12 S2
Journal of publication	Organometallics
Year of publication	2005
a	12.4781 ± 0.0002 Å
b	22.37 ± 0.0003 Å
c	27.1757 ± 0.0004 Å
α	90°
β	90.079 ± 0.001°
γ	90°
Cell volume	7585.68 ± 0.19 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.095
Residual factor for significantly intense reflections	0.0659
Weighted residual factors for significantly intense reflections	0.1444
Weighted residual factors for all reflections included in the refinement	0.161
Goodness-of-fit parameter for all reflections included in the refinement	1.091
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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