Crystallography Open Database

Information card for entry 7122889

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Coordinates	7122889.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H52 Co N8 O5
Calculated formula	C46 H52 Co N8 O5
Title of publication	Exploring Ligand Non-Innocence of Coordinatively-Versatile Diamidodipyrrinato Cobalt Complexes
Authors of publication	Saund, Simran S.; Goldschmid, Samantha L.; Ng, Karina; Stewart, Veronica J.; Siegler, Maxime A.; Thoi, V. Sara
Journal of publication	Chemical Communications
Year of publication	2019
a	9.49785 ± 0.00011 Å
b	23.1796 ± 0.0003 Å
c	21.4226 ± 0.0003 Å
α	90°
β	99.9425 ± 0.0012°
γ	90°
Cell volume	4645.49 ± 0.11 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0535
Residual factor for significantly intense reflections	0.0455
Weighted residual factors for significantly intense reflections	0.1127
Weighted residual factors for all reflections included in the refinement	0.1182
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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