Crystallography Open Database

Information card for entry 7063489

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Coordinates	7063489.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H13 Cu N3 O3
Calculated formula	C15 H13 Cu N3 O3
Title of publication	Synthesis and DNA cleavage studies of rationally designed metallopeptides from N-salicyl-AA-picolamide (SAP) and Cu(ii) ions
Authors of publication	Panda, Subhashree S.; Kumari, Supriya; Dixit, Manjusha; Sharma, Nagendra K.
Journal of publication	New Journal of Chemistry
Year of publication	2024
Journal volume	48
Journal issue	45
Pages of publication	19188 - 19194
a	11.3112 ± 0.0009 Å
b	6.6485 ± 0.0005 Å
c	18.4942 ± 0.0014 Å
α	90°
β	104.164 ± 0.008°
γ	90°
Cell volume	1348.53 ± 0.19 Å³
Cell temperature	297.3 ± 0.9 K
Ambient diffraction temperature	297.15 K
Number of distinct elements	5
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	0.0381
Residual factor for significantly intense reflections	0.0319
Weighted residual factors for significantly intense reflections	0.0783
Weighted residual factors for all reflections included in the refinement	0.0814
Goodness-of-fit parameter for all reflections included in the refinement	1.0286
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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