Crystallography Open Database

Information card for entry 7707678

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Coordinates	7707678.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H45 N5 O2
Calculated formula	C34 H45 N5 O2
Title of publication	Dual role of silver in a fluorogenic <i>N</i>-squaraine probe based on Ag(I)-π interactions.
Authors of publication	Vega, Manel; Blasco, Salvador; García-España, Enrique; Soberats, Bartolomé; Frontera, Antonio; Rotger, Carmen; Costa, Antonio
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	27
Pages of publication	9367 - 9371
a	8.329 ± 0.004 Å
b	12.701 ± 0.004 Å
c	15.105 ± 0.006 Å
α	94.262 ± 0.012°
β	94.357 ± 0.01°
γ	95.865 ± 0.009°
Cell volume	1579.5 ± 1.1 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1034
Residual factor for significantly intense reflections	0.0524
Weighted residual factors for significantly intense reflections	0.1076
Weighted residual factors for all reflections included in the refinement	0.1323
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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