Crystallography Open Database

Information card for entry 7703978

Preview

Coordinates	7703978.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H54 Cl2 N6 O29 Zn2
Calculated formula	C21 H53.65 Cl2 N6 O29 Zn2
Title of publication	Zinc and copper complexes with azacrown ethers and their comparative stability in vitro and in vivo.
Authors of publication	Aleshin, Gleb Yu; Egorova, Bayirta V.; Priselkova, Anna B.; Zamurueva, Lyubov S.; Khabirova, Sofia Yu; Zubenko, Anastasia D.; Karnoukhova, Valentina A.; Fedorova, Olga A.; Kalmykov, Stepan N.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	19
Pages of publication	6249 - 6258
a	8.0951 ± 0.0008 Å
b	19.3688 ± 0.0018 Å
c	26.478 ± 0.003 Å
α	90°
β	93.395 ± 0.002°
γ	90°
Cell volume	4144.3 ± 0.7 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 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	0.1036
Residual factor for significantly intense reflections	0.0571
Weighted residual factors for significantly intense reflections	0.1148
Weighted residual factors for all reflections included in the refinement	0.132
Goodness-of-fit parameter for all reflections included in the refinement	1.019
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
252769 (current)	2020-06-05	cif/ Updating files of 7703978 Original log message: Adding full bibliography for 7703978.cif.	7703978.cif
250431	2020-04-07	cif/ Adding structures of 7703978 via cif-deposit CGI script.	7703978.cif