Crystallography Open Database

Information card for entry 7702200

Preview

Coordinates	7702200.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H50 N6 O8 S4
Calculated formula	C46 H50 N6 O8 S4
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	5.5946 ± 0.0003 Å
b	11.5848 ± 0.0006 Å
c	18.1469 ± 0.0009 Å
α	84.942 ± 0.001°
β	81.704 ± 0.001°
γ	88.7 ± 0.002°
Cell volume	1159.24 ± 0.1 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	119.99 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0708
Residual factor for significantly intense reflections	0.0444
Weighted residual factors for significantly intense reflections	0.1011
Weighted residual factors for all reflections included in the refinement	0.1114
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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