Crystallography Open Database

Information card for entry 2205231

2205230 << 2205231 >> 2205232

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Structure parameters

Chemical name	[N,N'-Bis(2,4-dimethylbenzene)-2,3-dimethyl-1,4-diazabuta-1,3-diene]- fac-tricarbonyl(trifluoroacetato)rhenium(I)
Formula	C25 H24 F3 N2 O5 Re
Calculated formula	C25 H24 F3 N2 O5 Re
Title of publication	[<i>N</i>,<i>N</i>'-Bis(2,4-dimethylbenzene)-2,3-dimethyl-1,4-diazabuta-1,3-diene]-<i>fac</i>-tricarbonyl(trifluoroacetato)rhenium(I)
Authors of publication	Kia, Reza; Mirkhani, Valiollah; Deák, Andrea; Kálmán, Alajos
Journal of publication	Acta Crystallographica Section E
Year of publication	2005
Journal volume	61
Journal issue	3
Pages of publication	m566 - m567
a	12.818 ± 0.003 Å
b	13.026 ± 0.003 Å
c	16.554 ± 0.004 Å
α	90°
β	106.07 ± 0.02°
γ	90°
Cell volume	2656 ± 1.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.1059
Residual factor for significantly intense reflections	0.0417
Weighted residual factors for significantly intense reflections	0.0785
Weighted residual factors for all reflections included in the refinement	0.0869
Goodness-of-fit parameter for all reflections included in the refinement	0.924
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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