Crystallography Open Database

Information card for entry 7241659

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Structure parameters

Formula	C15 H30 Cl2 Cu N6 O11
Calculated formula	C15 H30 Cl2 Cu N6 O11
SMILES	Cc1cc(C)[nH][n]1[Cu]([n]1c(C)cc(C)[nH]1)([n]1c(C)cc(C)[nH]1)([OH2])[OH2].O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
Title of publication	A fluorescent Cu(ii) complex as a dual functional sensor for selective and sensitive detection of acetone and Cd(ii) pollutants
Authors of publication	Muddassir, Mohd.; Alarifi, Abdullah; Afzal, Mohd; Alshali, Khulud Abdullah; Abduh, Naaser A. Y.; Beagan, Abeer
Journal of publication	RSC Advances
Year of publication	2020
Journal volume	10
Journal issue	69
Pages of publication	42137 - 42146
a	10.1667 ± 0.0012 Å
b	12.3453 ± 0.0013 Å
c	12.6574 ± 0.0015 Å
α	62.592 ± 0.004°
β	68.79 ± 0.005°
γ	68.138 ± 0.004°
Cell volume	1273.5 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0925
Residual factor for significantly intense reflections	0.0503
Weighted residual factors for significantly intense reflections	0.0907
Weighted residual factors for all reflections included in the refinement	0.1041
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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
301870 (current)	2025-08-23	Add cross-references to PubChem compounds in COD range 7/24/ Each referenced PubChem compound corresponds to the full crystal structure.	7241659.cif
259577	2020-12-06	cif/ Adding structures of 7241659 via cif-deposit CGI script.	7241659.cif