Crystallography Open Database

Information card for entry 7240577

Preview

Coordinates	7240577.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C80.21 H81.43 N19 O22.43 Ru S6
Calculated formula	C80.212 H81.424 N19 O22.424 Ru S6
Title of publication	Encapsulation of the [Ru(bpy)3]2+ luminophore in a unique hydrogen-bonded host framework
Authors of publication	Handke, Marcel; Wu, Yang; Li, Yuantao; Hu, Chunhua T.; Ward, Michael D.
Journal of publication	CrystEngComm
Year of publication	2020
a	16.8829 ± 0.0011 Å
b	35.023 ± 0.002 Å
c	15.955 ± 0.001 Å
α	90°
β	91.019 ± 0.001°
γ	90°
Cell volume	9432.5 ± 1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0943
Residual factor for significantly intense reflections	0.0827
Weighted residual factors for significantly intense reflections	0.2861
Weighted residual factors for all reflections included in the refinement	0.3128
Goodness-of-fit parameter for all reflections included in the refinement	1.753
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7240577.html