Crystallography Open Database

Information card for entry 7123841

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Coordinates	7123841.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H44 Co2 N6 O14
Calculated formula	C42 H44 Co2 N6 O14
Title of publication	A Co8 Metallacycle Stabilized by Double Anion-π interactions
Authors of publication	Alexandropoulos, Dimitris I.; Dolinar, Brian; Xie, Haomiao; Vignesh, Kuduva; Dunbar, Kim R.
Journal of publication	Chemical Communications
Year of publication	2019
a	9.4457 ± 0.0003 Å
b	10.5805 ± 0.0003 Å
c	12.3374 ± 0.0003 Å
α	97.934 ± 0.001°
β	104.922 ± 0.001°
γ	112.445 ± 0.001°
Cell volume	1061.91 ± 0.05 Å³
Cell temperature	114 ± 1 K
Ambient diffraction temperature	114 ± 1 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	0.0282
Residual factor for significantly intense reflections	0.0251
Weighted residual factors for significantly intense reflections	0.0623
Weighted residual factors for all reflections included in the refinement	0.0641
Goodness-of-fit parameter for all reflections included in the refinement	1.089
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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