Crystallography Open Database

Information card for entry 7229337

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Structure parameters

Formula	C22 H34 Cd Cl2 N6 O8
Calculated formula	C22 H34 Cd Cl2 N6 O8
SMILES	[Cd]1234([n]5ccccc5C(=[N]1CC[N]2(C)C)C)[N](CC[N]3=C(c1[n]4cccc1)C)(C)C.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
Title of publication	Targeted synthesis of cadmium(ii) Schiff base complexes towards corrosion inhibition on mild steel
Authors of publication	Das, Mriganka; Biswas, Amrita; Kundu, Bidyut Kumar; Mobin, Shaikh M.; Udayabhanu, G.; Mukhopadhyay, Suman
Journal of publication	RSC Adv.
Year of publication	2017
Journal volume	7
Journal issue	77
Pages of publication	48569
a	16.2089 ± 0.0001 Å
b	14.1348 ± 0.0001 Å
c	12.8434 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	2942.55 ± 0.04 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0242
Residual factor for significantly intense reflections	0.0239
Weighted residual factors for significantly intense reflections	0.0674
Weighted residual factors for all reflections included in the refinement	0.0678
Goodness-of-fit parameter for all reflections included in the refinement	1.055
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.	7229337.cif
202049	2017-10-17	cif/ Adding structures of 7229336, 7229337, 7229338, 7229339, 7229340 via cif-deposit CGI script.	7229337.cif