Crystallography Open Database

Information card for entry 2005273

2005272 << 2005273 >> 2005274

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Original IUCr paper	HTML

Structure parameters

Chemical name	Tetrachlorotin Bis(diphenylphosphonato)ferrocene.
Formula	C34 H28 Cl4 Fe O2 P2 Sn
Calculated formula	C34 H28 Cl4 Fe O2 P2 Sn
SMILES	[Sn]1(Cl)(Cl)(Cl)(Cl)[O]=P(c2ccccc2)(c2ccccc2)[c]23[Fe]456789%10([cH]2[cH]4[cH]5[cH]36)[c]2(P(=[O]1)(c1ccccc1)c1ccccc1)[cH]7[cH]8[cH]9[cH]%102
Title of publication	[1,1'-Bis(diphenylphosphonato-<i>O</i>)ferrocene]tetrachlorotin
Authors of publication	Yamin, B. M.; bin Shawkataly, O.; Fun, H.-K.; Sivakumar, K.
Journal of publication	Acta Crystallographica Section C
Year of publication	1996
Journal volume	52
Journal issue	8
Pages of publication	1966 - 1968
a	12.221 ± 0.003 Å
b	20.75 ± 0.003 Å
c	13.902 ± 0.002 Å
α	90°
β	106.94 ± 0.02°
γ	90°
Cell volume	3372.4 ± 1.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0451
Residual factor for significantly intense reflections	0.0331
Weighted residual factors for all reflections	0.0912
Weighted residual factors for significantly intense reflections	0.0865
Goodness-of-fit parameter for all reflections	0.98
Goodness-of-fit parameter for significantly intense reflections	1.052
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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