Crystallography Open Database

Information card for entry 2239001

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Structure parameters

Chemical name	Tris(2,6-dibenzoyl-4-methylphenolato-κ^2^<i>O</i>^1^,<i>O</i>^2^)cobalt(III)
Formula	C63 H45 Co O9
Calculated formula	C63 H45 Co O9
SMILES	[Co]123(Oc4c(cc(cc4C(=O)c4ccccc4)C)C(=[O]1)c1ccccc1)(Oc1c(cc(cc1C(=O)c1ccccc1)C)C(=[O]2)c1ccccc1)Oc1c(cc(cc1C(=O)c1ccccc1)C)C(=[O]3)c1ccccc1
Title of publication	Tris(2,6-dibenzoyl-4-methylphenolato-κ^2^<i>O</i>^1^,<i>O</i>^2^)cobalt(III)
Authors of publication	Gupta, Abhishek K.; Srivastava, Sanjay; Butcher, Ray J.
Journal of publication	Acta Crystallographica Section E
Year of publication	2014
Journal volume	70
Journal issue	2
Pages of publication	m67 - m68
a	11.2858 ± 0.0003 Å
b	17.5442 ± 0.0004 Å
c	24.7745 ± 0.0005 Å
α	90°
β	92.8922 ± 0.0019°
γ	90°
Cell volume	4899.1 ± 0.2 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0627
Residual factor for significantly intense reflections	0.0553
Weighted residual factors for significantly intense reflections	0.144
Weighted residual factors for all reflections included in the refinement	0.1535
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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