Crystallography Open Database

Information card for entry 7226704

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Structure parameters

Formula	C56 H56 Cl2 Co N8 O16
Calculated formula	C56 H56 Cl2 Co N8 O16
SMILES	c1cccc([n]1[Co]([n]1ccccc1/N=C/c1cc(OC)ccc1OC)([n]1ccccc1/N=C/c1cc(OC)ccc1OC)[n]1ccccc1/N=C/c1cc(OC)ccc1OC)/N=C/c1cc(OC)ccc1OC.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
Title of publication	Sensing of tryptophan by a non-toxic Cobalt(II) complex
Authors of publication	DALAI, SUDIPTA; Jana, Swapan Kumar; Mandal, Amit; Kumar, Anoop; Puschmann, Horst; Hossain, Maidul
Journal of publication	RSC Adv.
Year of publication	2016
a	11.8148 ± 0.0003 Å
b	11.8148 ± 0.0003 Å
c	20.5068 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	2862.53 ± 0.15 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	114
Hermann-Mauguin space group symbol	P -4 21 c
Hall space group symbol	P -4 2n
Residual factor for all reflections	0.051
Residual factor for significantly intense reflections	0.0419
Weighted residual factors for significantly intense reflections	0.082
Weighted residual factors for all reflections included in the refinement	0.0849
Goodness-of-fit parameter for all reflections included in the refinement	1.091
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

Version history

Revision	Date	Message	Files
301865 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure.	7226704.cif
186899	2016-10-04	cif/ Adding structures of 7226704 via cif-deposit CGI script.	7226704.cif