Crystallography Open Database

Information card for entry 2011108

2011107 << 2011108 >> 2011109

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Structure parameters

Chemical name	μ-oxo-bis{oxo{2,2'-[propane-1,3-diylbis(nitrilomethylidyne)]diphenolato} rhenium(V)} hydrate (1:2)
Formula	C34 H36 N4 O9 Re2
Calculated formula	C34 H36 N4 O9 Re2
SMILES	c12ccccc1C=[N]1CCC[N]3=Cc4ccccc4O[Re]13(O2)(=O)O[Re]123([N](=Cc4c(cccc4)O2)CCC[N]1=Cc1ccccc1O3)=O.O.O
Title of publication	Polymorphs and pseudo-polymorphs of μ-oxo-bis{[<i>N</i>,<i>N</i>'-bis(salicylidene)propane-1,3-diamine]oxorhenium(V)}
Authors of publication	Kooijman, Huub; Bommel, Kjeld J. C. van; Verboom, Willem; Reinhoudt, David N.; Kroon, Jan; Spek, Anthony L.
Journal of publication	Acta Crystallographica Section C
Year of publication	2000
Journal volume	56
Journal issue	7
Pages of publication	749 - 757
a	10.1085 ± 0.0008 Å
b	11.2053 ± 0.0008 Å
c	14.0447 ± 0.0007 Å
α	90°
β	91.367 ± 0.005°
γ	90°
Cell volume	1590.37 ± 0.19 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	5
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	0.053
Residual factor for significantly intense reflections	0.047
Weighted residual factors for all reflections included in the refinement	0.101
Goodness-of-fit parameter for all reflections included in the refinement	1.01
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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