Crystallography Open Database

Information card for entry 4338925

Preview

Coordinates	4338925.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	H10 O6 Re6 Se8
Calculated formula	O6 Re6 Se8
SMILES	O[Re]1234567[Se]8[Re]9%10%11%12%134(O)[Re]4%14%15%162(O)([Re]2%17%18%191(O)([Se]1[Re]%20%10%152(O)([Se]94)([Re]58%11%171(O)([Se]7%19)[Se]%13%20)[Se]%16%18)[Se]3%14)[Se]6%12
Title of publication	A family of octahedral rhenium cluster complexes [Re6Q8(H2O)n(OH)6-n]n-4 (Q=S, Se; n=0-6): structural and pH-dependent spectroscopic studies.
Authors of publication	Brylev, Konstantin A.; Mironov, Yuri V.; Yarovoi, Spartak S.; Naumov, Nikolai G.; Fedorov, Vladimir E.; Kim, Sung-Jin; Kitamura, Noboru; Kuwahara, Yusuke; Yamada, Konatsu; Ishizaka, Shoji; Sasaki, Yoichi
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	18
Pages of publication	7414 - 7422
a	12.084 ± 0.004 Å
b	12.084 ± 0.004 Å
c	12.084 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	1764.5 ± 1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	205
Hermann-Mauguin space group symbol	P a -3
Hall space group symbol	-P 2ac 2ab 3
Residual factor for all reflections	0.0689
Residual factor for significantly intense reflections	0.0389
Weighted residual factors for significantly intense reflections	0.078
Weighted residual factors for all reflections included in the refinement	0.082
Goodness-of-fit parameter for all reflections included in the refinement	0.878
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179492 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/89.	4338925.cif
117010	2014-06-14	cif/ Adding structures of 4338922, 4338923, 4338924, 4338925 via cif-deposit CGI script.	4338925.cif