Crystallography Open Database

Information card for entry 7037762

Preview

Coordinates	7037762.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H41 Cu N6 O19.5
Calculated formula	C34 H32 Cu N6 O19.5
Title of publication	Copper(ii) mixed-ligand polypyridyl complexes with doxycycline - structures and biological evaluation.
Authors of publication	Abosede, Olufunso O.; Vyas, Nilima A.; Singh, Sushma B.; Kumbhar, Avinash S.; Kate, Anup; Kumbhar, Anupa A.; Khan, Ayesha; Erxleben, Andrea; Smith, Peter; de Kock, Carmen; Hoffmann, Frank; Obaleye, Joshua A.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	7
Pages of publication	3003 - 3012
a	10.2282 ± 0.0004 Å
b	12.6403 ± 0.0007 Å
c	31.3839 ± 0.0016 Å
α	90°
β	90°
γ	90°
Cell volume	4057.5 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0886
Residual factor for significantly intense reflections	0.0632
Weighted residual factors for significantly intense reflections	0.1478
Weighted residual factors for all reflections included in the refinement	0.167
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
177769 (current)	2016-03-05	cif/ Updating files of 7037762, 7037763 Original log message: Adding full bibliography for 7037762--7037763.cif.	7037762.cif
171739	2015-12-25	cif/ Adding structures of 7037762, 7037763 via cif-deposit CGI script.	7037762.cif