Crystallography Open Database

Information card for entry 2008883

2008882 << 2008883 >> 2008884

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Coordinates	Coordinates are not available: file is not found.
Structure factors	2008883.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	Di(1-hydro-1,10-Phenanthrolinium) iodinium-dichlorido diiodine-chloride
Formula	C24 H18 Cl3 I3 N4
Calculated formula	C24 H18 Cl3 I3 N4
SMILES	c1c2ccc3cccnc3c2[nH+]cc1.[I-](Cl)Cl.II.[nH+]1c2c(ccc3cccnc23)ccc1.[Cl-]
Title of publication	Bis(1,10-phenanthrolin-1-ium) chlorodiiodide(1 –) dichloroiodide(1 –)
Authors of publication	Wang, Yan-Qia; Wang, Zhe-Ming; Liao, Chun-Sheng; Yan, Chun-Hua
Journal of publication	Acta Crystallographica Section C
Year of publication	1999
Journal volume	55
Journal issue	9
Pages of publication	1503 - 1506
a	8.9031 ± 0.0004 Å
b	15.7897 ± 0.0006 Å
c	20.0697 ± 0.0007 Å
α	90°
β	99.569 ± 0.004°
γ	90°
Cell volume	2782.09 ± 0.19 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0509
Residual factor for significantly intense reflections	0.0332
Weighted residual factors for all reflections included in the refinement	0.0745
Goodness-of-fit parameter for all reflections included in the refinement	1.084
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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