Crystallography Open Database

Information card for entry 7123702

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Coordinates	7123702.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38.5 H51 Co N5 O5 S4
Calculated formula	C38.5 H29.5 Co N5 O5 S4
Title of publication	Negatively charged metal-organic hosts with cobalt dithiolene species: Improving PET processes for light-driven proton reduction through host-guest electrostatic interactions
Authors of publication	Cai, Junkai; Zhao, Liang; Wei, Jianwei; He, Cheng; Long, Saran; Duan, Chunying
Journal of publication	Chemical Communications
Year of publication	2019
a	10.9909 ± 0.0006 Å
b	12.8403 ± 0.0007 Å
c	17.774 ± 0.0009 Å
α	69.3587 ± 0.0013°
β	88.5929 ± 0.0014°
γ	75.5745 ± 0.0015°
Cell volume	2267.8 ± 0.2 Å³
Cell temperature	220 ± 2 K
Ambient diffraction temperature	220 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.095
Residual factor for significantly intense reflections	0.0748
Weighted residual factors for significantly intense reflections	0.1877
Weighted residual factors for all reflections included in the refinement	0.1992
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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