Crystallography Open Database

Information card for entry 2214220

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Coordinates	Coordinates are not available: file is not found.
Structure factors	2214220.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	Tetrakis(2,2':6',2''-terpyridinium) hexabromidorhenate(IV) bis[aquatetrabromidooxidorhenate(V)] tetrabromide dihydrate
Formula	C60 H60 Br18 N12 O6 Re3
Calculated formula	C60 H60 Br18 N12 O6 Re3
SMILES	c1(c2cccc(n2)c2[nH+]cccc2)[nH+]cccc1.[nH+]1ccccc1c1nc(ccc1)c1[nH+]cccc1.O=[Re](Br)(Br)(Br)([OH2])Br.Br[Re](Br)(Br)(Br)([Br-])[Br-].[Br-].[Br-].O.c1cccc(c2cccc(n2)c2[nH+]cccc2)[nH+]1.[nH+]1ccccc1c1nc(ccc1)c1[nH+]cccc1.[OH2][Re](=O)(Br)(Br)(Br)Br.[Br-].[Br-].O
Title of publication	Tetrakis(2,2':6',2''-terpyridinium) hexabromidorhenate(IV) bis[aquatetrabromidooxidorhenate(V)] tetrabromide dihydrate
Authors of publication	Kochel, Andrzej
Journal of publication	Acta Crystallographica Section E
Year of publication	2007
Journal volume	63
Journal issue	7
Pages of publication	m1968 - m1968
a	10.3458 ± 0.0006 Å
b	10.3563 ± 0.0006 Å
c	19.0582 ± 0.0014 Å
α	81.361 ± 0.006°
β	79.041 ± 0.006°
γ	79.987 ± 0.005°
Cell volume	1959.7 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0759
Residual factor for significantly intense reflections	0.0358
Weighted residual factors for significantly intense reflections	0.0533
Weighted residual factors for all reflections included in the refinement	0.0623
Goodness-of-fit parameter for all reflections included in the refinement	0.938
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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