Crystallography Open Database

Information card for entry 7062889

Preview

Coordinates	7062889.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C160 H168 Mn4 N4 O10
Calculated formula	C160 H168 Mn4 N4 O10
Title of publication	Influence of neutral auxiliary ligands on crystal structure and magnetic behaviour of new [MnII2MnIII2] clusters supported by p-adamantylcalix[4]arene
Authors of publication	Ovsyannikov, Alexander S.; Strelnikova, Iuliia V.; Samigullina, Aida I.; Islamov, Daut R.; Cherosov, Mikhail A.; Batulin, Ruslan G.; Kiiamov, Airat G.; Gubaidullin, Aidar T.; Dorovatovskii, Pavel V.; Solovieva, Svetlana E.; Antipin, Igor S.
Journal of publication	New Journal of Chemistry
Year of publication	2024
Journal volume	48
Journal issue	1
Pages of publication	203 - 215
a	13.162 ± 0.003 Å
b	27.089 ± 0.005 Å
c	23.389 ± 0.005 Å
α	90°
β	96.43 ± 0.03°
γ	90°
Cell volume	8287 ± 3 Å³
Cell temperature	100.15 K
Ambient diffraction temperature	100.15 K
Number of distinct elements	5
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	0.196
Residual factor for significantly intense reflections	0.1336
Weighted residual factors for significantly intense reflections	0.3694
Weighted residual factors for all reflections included in the refinement	0.4144
Goodness-of-fit parameter for all reflections included in the refinement	1.284
Diffraction radiation wavelength	0.7927 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
289577 (current)	2024-02-04	cif/ Updating files of 7062886, 7062887, 7062888, 7062889 Original log message: Adding full bibliography for 7062886--7062889.cif.	7062889.cif
287715	2023-11-22	cif/ Adding structures of 7062886, 7062887, 7062888, 7062889 via cif-deposit CGI script.	7062889.cif