Crystallography Open Database

Information card for entry 2011106

2011105 << 2011106 >> 2011107

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Structure parameters

Chemical name	μ-oxo-bis{oxo{2,2'-[propane-1,3-diylbis(nitrilomethylidyne)]diphenolato} rhenium(V)} chloroform solvate (1:2)
Formula	C36 H34 Cl6 N4 O7 Re2
Calculated formula	C36 H34 Cl6 N4 O7 Re2
SMILES	c12ccccc1C=[N]1CCC[N]3=Cc4ccccc4O[Re]13(O2)(=O)O[Re]123([N](=Cc4c(cccc4)O2)CCC[N]1=Cc1ccccc1O3)=O.ClC(Cl)Cl.ClC(Cl)Cl
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	9.0223 ± 0.0012 Å
b	10.4856 ± 0.0015 Å
c	10.7375 ± 0.0017 Å
α	79.75 ± 0.012°
β	89.256 ± 0.011°
γ	81.82 ± 0.011°
Cell volume	989.4 ± 0.3 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 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	0.033
Residual factor for significantly intense reflections	0.028
Weighted residual factors for all reflections included in the refinement	0.07
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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