Crystallography Open Database

Information card for entry 7241818

Preview

Coordinates	7241818.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H56 Cl2 Cu4 N8 O20
Calculated formula	C56 H56 Cl2 Cu4 N8 O20
Title of publication	One-pot crystallization of two 1,4-cyclohexanedicarboxylate-based tetranuclear Cu(ii) compounds and their DNA binding affinities
Authors of publication	Akhtaruzzaman,; Mohammad, Mukti; Khan, Samim; Dutta, Basudeb; Maity, Suvendu; Naaz, Sanobar; Alam, Seikh Mafiz; Ghosh, Prasanta; Islam, Md. Maidul; Mir, Mohammad Hedayetullah
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	5
Pages of publication	1091 - 1098
a	9.3595 ± 0.0003 Å
b	12.4592 ± 0.0004 Å
c	14.5015 ± 0.0004 Å
α	87.821 ± 0.001°
β	72.827 ± 0.001°
γ	68.258 ± 0.001°
Cell volume	1495.86 ± 0.08 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0641
Residual factor for significantly intense reflections	0.0463
Weighted residual factors for significantly intense reflections	0.1246
Weighted residual factors for all reflections included in the refinement	0.1356
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
262563 (current)	2021-03-05	cif/ Updating files of 7241817, 7241818 Original log message: Adding full bibliography for 7241817--7241818.cif.	7241818.cif
259857	2020-12-13	cif/ Adding structures of 7241817, 7241818 via cif-deposit CGI script.	7241818.cif