Crystallography Open Database

Information card for entry 2202211

2202210 << 2202211 >> 2202212

Preview

Structure parameters

Chemical name	Bis[dicarbonyl(η^5^-cyclopentadienyl)ferrio](N,N- diisobutyldithiocarbamato)tin(II)
Formula	C32 H46 Fe2 N2 O4 S4 Sn
Calculated formula	C32 H46 Fe2 N2 O4 S4 Sn
SMILES	C([Fe]1234([cH]5[cH]4[cH]3[cH]2[cH]15)([Sn](SC(=S)N(CC(C)C)CC(C)C)(SC(=S)N(CC(C)C)CC(C)C)[Fe]1234(C#[O])(C#[O])[cH]5[cH]4[cH]3[cH]2[cH]15)C#[O])#[O]
Title of publication	Bis[dicarbonyl(η^5^-cyclopentadienyl)ferrio](<i>N,N</i>-diisobutyldithiocarbamato)tin(II)
Authors of publication	Chen, Bao-Hua; Li, Yi-Zhi; Ma, Yong-Xiang; Wu, Xiao-Li; Li, Ping-Ren
Journal of publication	Acta Crystallographica Section E
Year of publication	2003
Journal volume	59
Journal issue	5
Pages of publication	m223 - m224
a	21.8 ± 0.004 Å
b	11.587 ± 0.002 Å
c	16.886 ± 0.003 Å
α	90°
β	112.17 ± 0.03°
γ	90°
Cell volume	3950 ± 1.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0986
Residual factor for significantly intense reflections	0.0537
Weighted residual factors for significantly intense reflections	0.1428
Weighted residual factors for all reflections included in the refinement	0.1533
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Version history is temporarily not available due to server issues.