Crystallography Open Database

Information card for entry 7014496

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Structure parameters

Formula	C44 H36 Ag2 B2 F8 N8
Calculated formula	C44 H36 Ag2 B2 F8 N8
SMILES	[B](F)(F)(F)[F-].c1ccc2=C(c3ccc[nH]3)c3ccc(cc3)c3cc[n]([Ag][n]4cccc4=C(c4ccc[nH]4)c4ccc(cc4)c4cc[n]([Ag][n]12)cc4)cc3.CC#N.[B](F)(F)(F)[F-].N#CC
Title of publication	Dipyrrin based silver [2 + 2] metallamacrocycles.
Authors of publication	Pogozhev, Dmitry; Baudron, Stéphane A; Hosseini, Mir Wais
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2011
Journal volume	40
Journal issue	2
Pages of publication	437 - 445
a	9.312 ± 0.0003 Å
b	10.4615 ± 0.0003 Å
c	12.4452 ± 0.0004 Å
α	112.286 ± 0.002°
β	94.953 ± 0.002°
γ	101.894 ± 0.002°
Cell volume	1079.46 ± 0.06 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 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 all reflections	0.0496
Residual factor for significantly intense reflections	0.0449
Weighted residual factors for significantly intense reflections	0.1076
Weighted residual factors for all reflections included in the refinement	0.1105
Goodness-of-fit parameter for all reflections included in the refinement	1.091
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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