Crystallography Open Database

Information card for entry 7032230

Preview

Coordinates	7032230.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H32 N6
Calculated formula	C34 H32 N6
SMILES	N(CCN(Cc1ncccc1)Cc1ncccc1)(Cc1nccc2ccccc12)Cc1nccc2ccccc12
Title of publication	Zinc-specific intramolecular excimer formation in TQEN derivatives: fluorescence and zinc binding properties of TPEN-based hexadentate ligands.
Authors of publication	Mikata, Yuji; Takeuchi, Saaya; Higuchi, Eri; Ochi, Ayaka; Konno, Hideo; Yanai, Kazuma; Sato, Shin-Ichiro
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	43
Pages of publication	16377 - 16386
a	10.183 ± 0.006 Å
b	11.355 ± 0.007 Å
c	13.428 ± 0.007 Å
α	107.863 ± 0.01°
β	92.769 ± 0.009°
γ	102.293 ± 0.007°
Cell volume	1433.1 ± 1.4 Å³
Cell temperature	153 K
Ambient diffraction temperature	153 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0552
Weighted residual factors for all reflections included in the refinement	0.1424
Goodness-of-fit parameter for all reflections included in the refinement	1.065
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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