Crystallography Open Database

Information card for entry 7251120

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Coordinates	7251120.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H47 N5 O13 Sr2
Calculated formula	C45 H45 N5 O13 Sr2
Title of publication	Structural chemistry and environment-dependent fluorescence of a tetratopic pyrrolo[3,2-b]pyrrole ligand
Authors of publication	Brown, Corey L.; Elliott, Scarlett H.; Woodfine, Sian E.; Hawes, Chris S.
Journal of publication	CrystEngComm
Year of publication	2025
Journal volume	27
Journal issue	45
Pages of publication	7358 - 7366
a	12.1393 ± 0.0004 Å
b	13.144 ± 0.0004 Å
c	15.0291 ± 0.0004 Å
α	73.654 ± 0.001°
β	81.676 ± 0.001°
γ	84.428 ± 0.001°
Cell volume	2272.84 ± 0.12 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 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	0.0862
Residual factor for significantly intense reflections	0.0508
Weighted residual factors for significantly intense reflections	0.1187
Weighted residual factors for all reflections included in the refinement	0.1338
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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