Crystallography Open Database

Information card for entry 7028342

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Coordinates	7028342.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H52 Cd Cl2 N6 O14
Calculated formula	C48 H47 Cd Cl2 N6 O14
SMILES	[Cd]12345[N](CC[N]1(Cc1[n]4c4ccc(OC)cc4cc1)Cc1[n]5c4ccc(OC)cc4cc1)(Cc1[n]2c2ccc(OC)cc2cc1)Cc1[n]3c2ccc(OC)cc2cc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].OC.OC
Title of publication	Quinoline-attached triazacyclononane (TACN) derivatives as fluorescent zinc sensors.
Authors of publication	Mikata, Yuji; Nodomi, Yuki; Kizu, Asako; Konno, Hideo
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	4
Pages of publication	1684 - 1690
a	11.0062 ± 0.0017 Å
b	11.1912 ± 0.0017 Å
c	20.6 ± 0.004 Å
α	78.273 ± 0.005°
β	79.581 ± 0.005°
γ	74.864 ± 0.005°
Cell volume	2376.2 ± 0.7 Å³
Cell temperature	153 K
Ambient diffraction temperature	153 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0408
Weighted residual factors for all reflections included in the refinement	0.1137
Goodness-of-fit parameter for all reflections included in the refinement	1.063
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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