Crystallography Open Database

Information card for entry 7251122

Preview

Coordinates	7251122.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37.75 H37 N2 O13.75 Sr2
Calculated formula	C37.75 H37 N2 O13.75 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	12.1771 ± 0.0005 Å
b	13.2036 ± 0.0006 Å
c	14.7842 ± 0.0006 Å
α	72.297 ± 0.001°
β	81.998 ± 0.001°
γ	82.619 ± 0.001°
Cell volume	2233.05 ± 0.16 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	0.099
Residual factor for significantly intense reflections	0.057
Weighted residual factors for significantly intense reflections	0.1406
Weighted residual factors for all reflections included in the refinement	0.1576
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
303711 (current)	2025-11-29	cif/ Updating files of 7251119, 7251120, 7251121, 7251122 Original log message: Adding full bibliography for 7251119--7251122.cif.	7251122.cif
303022	2025-10-28	cif/ Adding structures of 7251119, 7251120, 7251121, 7251122 via cif-deposit CGI script.	7251122.cif