Crystallography Open Database

Information card for entry 2239057

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Structure parameters

Chemical name	Bis(1,10-phenanthrolin-1-ium) tetrachloridozincate monohydrate
Formula	C24 H20 Cl4 N4 O Zn
Calculated formula	C24 H20 Cl4 N4 O Zn
SMILES	[nH+]1cccc2ccc3cccnc3c12.[nH+]1cccc2ccc3cccnc3c12.[Zn](Cl)(Cl)([Cl-])[Cl-].O
Title of publication	Bis(1,10-phenanthrolin-1-ium) tetrachloridozincate monohydrate
Authors of publication	Govindan, E.; Thirumurugan, Subramani; Ganeshraja, Ayyakannu Sundaram; Anbalagan, Krishnamoorthy; SubbiahPandi, A.
Journal of publication	Acta Crystallographica Section E
Year of publication	2014
Journal volume	70
Journal issue	2
Pages of publication	m53
a	14.6046 ± 0.0005 Å
b	10.8008 ± 0.0003 Å
c	16.3151 ± 0.0006 Å
α	90°
β	107.39 ± 0.004°
γ	90°
Cell volume	2455.93 ± 0.15 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for all reflections	0.0456
Residual factor for significantly intense reflections	0.0305
Weighted residual factors for significantly intense reflections	0.0624
Weighted residual factors for all reflections included in the refinement	0.0679
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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