Crystallography Open Database

Information card for entry 7032167

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Coordinates	7032167.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H98 Ag6 I6 N12
Calculated formula	C60 H98 Ag6 I6 N12
SMILES	Ic1c(n2[Ag][n]3n([Ag][n]4n([Ag][n]2c1C(C)C)c(C(C)C)c(I)c4C(C)C)c(C(C)C)c(I)c3C(C)C)C(C)C.CCCCCC
Title of publication	Structure and photoluminescence of silver(i) trinuclear halopyrazolato complexes.
Authors of publication	Morishima, Yui; Young, David James; Fujisawa, Kiyoshi
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	42
Pages of publication	15915 - 15928
a	14.823 ± 0.0019 Å
b	12.7462 ± 0.0011 Å
c	20.735 ± 0.003 Å
α	90°
β	90.874 ± 0.002°
γ	90°
Cell volume	3917.2 ± 0.8 Å³
Cell temperature	190 K
Ambient diffraction temperature	190 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.0517
Weighted residual factors for all reflections included in the refinement	0.1282
Goodness-of-fit parameter for all reflections included in the refinement	2.546
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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