Crystallography Open Database

Information card for entry 2011679

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Structure parameters

Chemical name	Bis(O,O'- diisopropyldithiophosphato-S,S')(1,10-phenanthroline)Iron(II) complex :[Fe{(iPr-dtp)~2~}(phen)]
Formula	C24 H36 Fe N2 O4 P2 S4
Calculated formula	C24 H36 Fe N2 O4 P2 S4
SMILES	[Fe]123([n]4c5c6[n]1cccc6ccc5ccc4)([S]=P(OC(C)C)(OC(C)C)S2)[S]=P(OC(C)C)(OC(C)C)S3
Title of publication	Bis(<i>O</i>,<i>O</i>'-diisopropyl dithiophosphato-<i>S</i>,<i>S</i>')(1,10-phenanthroline-<i>N</i>,<i>N</i>')metal(II) complexes with cadmium(II) and iron(II)
Authors of publication	Hao, Qingli; Yang, Xujie; Jian, Fangfang; Lu, Lude; Wang, Xin; Abdul Razak, Ibrahim; Chantrapromma, Suchada; Fun, Hoong-Kun
Journal of publication	Acta Crystallographica Section C
Year of publication	2001
Journal volume	57
Journal issue	1
Pages of publication	42 - 44
a	11.5761 ± 0.0002 Å
b	18.8015 ± 0.0001 Å
c	14.7098 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	3201.56 ± 0.07 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.093
Residual factor for significantly intense reflections	0.074
Weighted residual factors for all reflections included in the refinement	0.127
Goodness-of-fit parameter for all reflections included in the refinement	0.97
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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