Crystallography Open Database

Information card for entry 7714646

Preview

Coordinates	7714646.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H34 Cl6 Cu N5 O8
Calculated formula	C39 H34 Cl6 Cu N5 O8
Title of publication	Chromophore appended DPA-based copper(II) complexes with a diimine motif towards DNA binding and fragmentation studies.
Authors of publication	Mathur, Shobhit; Karumban, Kalai Selvan; Muley, Arabinda; Tuti, Nikhil; Shaji, Unnikrishnan Paruthiyezhath; Roy, Indrajit; Verma, Anushka; Kumawat, Manoj Kumar; Roy, Anindya; Maji, Somnath
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	3
Pages of publication	1163 - 1177
a	11.4847 ± 0.0004 Å
b	13.8486 ± 0.0005 Å
c	27.0798 ± 0.001 Å
α	90°
β	98.107 ± 0.001°
γ	90°
Cell volume	4263.9 ± 0.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0978
Residual factor for significantly intense reflections	0.0499
Weighted residual factors for significantly intense reflections	0.1152
Weighted residual factors for all reflections included in the refinement	0.139
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
289543 (current)	2024-02-04	cif/ Updating files of 7714646, 7714647 Original log message: Adding full bibliography for 7714646--7714647.cif.	7714646.cif
288172	2023-12-08	cif/ Adding structures of 7714646, 7714647 via cif-deposit CGI script.	7714646.cif