Crystallography Open Database

Information card for entry 2202198

2202197 << 2202198 >> 2202199

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Structure parameters

Chemical name	Bis (mu-phenylthiodiiron-hexacarbonyl) (mu~4~-sulfido)
Formula	C24 H10 Fe4 O12 S3
Calculated formula	C24 H10 Fe4 O12 S3
SMILES	[Fe]12([Fe](S31[Fe]1([Fe]3([S]1c1ccccc1)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])([S]2c1ccccc1)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O]
Title of publication	μ~4~-Sulfido-bis(μ~2~-phenylthiolato)tetrakis(tricarbonyliron)
Authors of publication	Hu, Mingqiang; Ma, Chengbing; Zhang, Xiaofeng; Fang, Cheng; Chen, Feng; Chen, Changneng; Liu, Qiutian
Journal of publication	Acta Crystallographica Section E
Year of publication	2003
Journal volume	59
Journal issue	2
Pages of publication	m55 - m56
a	9.0026 ± 0.0002 Å
b	12.9509 ± 0.0004 Å
c	26.5409 ± 0.0002 Å
α	90°
β	97.612 ± 0.001°
γ	90°
Cell volume	3067.18 ± 0.12 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.0694
Weighted residual factors for significantly intense reflections	0.1264
Weighted residual factors for all reflections included in the refinement	0.1468
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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