Crystallography Open Database

Information card for entry 7222278

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Coordinates	7222278.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H40 N6 O6 Zn
Calculated formula	C40 H40 N6 O6 Zn
SMILES	c1c(cc[n]([Zn]23(Oc4c(C=[N]2O)ccc(c4)O)([N](=Cc2ccc(cc2O3)O)O)[n]2ccc(cc2)CCCc2ccncc2)c1)CCCc1ccncc1
Title of publication	Study on divalent copper, nickel and zinc model complexes for fluoride ions detection
Authors of publication	Baruah, Jubaraj Bikash; Tarai, Arup
Journal of publication	RSC Adv.
Year of publication	2015
a	7.7539 ± 0.0006 Å
b	9.7058 ± 0.0008 Å
c	13.6203 ± 0.001 Å
α	75.256 ± 0.005°
β	79.97 ± 0.005°
γ	72.318 ± 0.005°
Cell volume	939.22 ± 0.13 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0491
Residual factor for significantly intense reflections	0.0358
Weighted residual factors for significantly intense reflections	0.0818
Weighted residual factors for all reflections included in the refinement	0.0882
Goodness-of-fit parameter for all reflections included in the refinement	1.008
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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