Crystallography Open Database

Information card for entry 7062887

Preview

Coordinates	7062887.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C168 H198 Mn4 N8 O14
Calculated formula	C168 H198 Mn4 N8 O14
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	16.357 ± 0.003 Å
b	25.859 ± 0.005 Å
c	18.043 ± 0.004 Å
α	90°
β	95.27 ± 0.03°
γ	90°
Cell volume	7599 ± 3 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 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	0.0927
Residual factor for significantly intense reflections	0.0633
Weighted residual factors for significantly intense reflections	0.1628
Weighted residual factors for all reflections included in the refinement	0.182
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	0.79313 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.	7062887.cif
287715	2023-11-22	cif/ Adding structures of 7062886, 7062887, 7062888, 7062889 via cif-deposit CGI script.	7062887.cif