Crystallography Open Database

Information card for entry 7702201

Preview

Coordinates	7702201.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C80 H72 Ag F6 N8 Sb
Calculated formula	C80 H72 Ag F6 N8 Sb
Title of publication	Tetraarylpyrrolo[3,2-b]pyrroles as versatile and responsive fluorescent linkers in metal-organic frameworks.
Authors of publication	Hawes, Chris S.; Ó Máille, Gearóid M; Byrne, Kevin; Schmitt, Wolfgang; Gunnlaugsson, Thorfinnur
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	30
Pages of publication	10080 - 10092
a	10.7985 ± 0.0003 Å
b	29.4144 ± 0.0009 Å
c	25.9424 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	8240.1 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	99.99 K
Number of distinct elements	6
Space group number	68
Hermann-Mauguin space group symbol	C c c a :2
Hall space group symbol	-C 2a 2ac
Residual factor for all reflections	0.0915
Residual factor for significantly intense reflections	0.0795
Weighted residual factors for significantly intense reflections	0.2415
Weighted residual factors for all reflections included in the refinement	0.2591
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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