Crystallography Open Database

Information card for entry 2200397

2200396 << 2200397 >> 2200398

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Structure parameters

Chemical name	Tetraaquadihydroxohexarheniumoctaselenium dodecahydrate
Formula	H34 O18 Re6 Se8
Calculated formula	O18 Re6 Se8
SMILES	[Re]1234567([Re]89%10%11%12%13([Re]%14%15%16%171([Re]1%18%19%202([Re]2%218%14([Re]391([Se]4%10)([Se]%122)([Se]6%19)([Se]%20%21)[OH2])([Se]%11%15)([Se]%17%18)O)([Se]5%16)[OH2])([Se]7%13)[OH2])[OH2])O.O.O.O.O.O.O.O.O.O.O.O.O
Title of publication	The first `hexaaqua-' complex of the [Re~6~Se~8~]^2+^ cluster core, [Re~6~Se~8~(OH)~2~(H~2~O)~4~]·12H~2~O
Authors of publication	Zheng, Zhiping; Selby, Hugh D.; Roland, Bryan K.
Journal of publication	Acta Crystallographica, Section E: Structure Reports Online
Year of publication	2001
Journal volume	57
Journal issue	9
Pages of publication	i77 - i79
a	15.1655 ± 0.0006 Å
b	15.1655 ± 0.0006 Å
c	11.0678 ± 0.0007 Å
α	90°
β	90°
γ	120°
Cell volume	2204.48 ± 0.19 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	166
Hermann-Mauguin space group symbol	R -3 m :H
Hall space group symbol	-R 3 2"
Residual factor for all reflections	0.049
Residual factor for significantly intense reflections	0.0267
Weighted residual factors for all reflections included in the refinement	0.0683
Goodness-of-fit parameter for all reflections included in the refinement	1.141
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

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