Crystallography Open Database

Information card for entry 7707522

Preview

Coordinates	7707522.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C864 H672 Co48 O300 S48
Calculated formula	C864 H672 Co48 O300 S48
Title of publication	Coordination-driven self-assembly of anthraquinone-based metal-organic cages for photocatalytic selective [2 + 2] cycloaddition.
Authors of publication	Jin, Yao; Jiang, Hong; Tang, Xianhui; Zhang, Wenqiang; Liu, Yan; Cui, Yong
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	24
Pages of publication	8533 - 8539
a	28.353 ± 0.006 Å
b	31.497 ± 0.006 Å
c	37.991 ± 0.008 Å
α	97.01 ± 0.03°
β	96.18 ± 0.03°
γ	95.09 ± 0.03°
Cell volume	33299 ± 12 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 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	0.1126
Residual factor for significantly intense reflections	0.1068
Weighted residual factors for significantly intense reflections	0.3788
Weighted residual factors for all reflections included in the refinement	0.3993
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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