Crystallography Open Database

Information card for entry 7062886

Preview

Coordinates	7062886.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C156 H199 Mn4 N7 O16
Calculated formula	C156 H199 Mn4 N7 O16
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	16.78 ± 0.003 Å
b	18.45 ± 0.004 Å
c	23.54 ± 0.005 Å
α	99.17 ± 0.03°
β	101.29 ± 0.03°
γ	96.07 ± 0.03°
Cell volume	6984 ± 3 Å³
Cell temperature	100.15 K
Ambient diffraction temperature	100.15 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1178
Residual factor for significantly intense reflections	0.0636
Weighted residual factors for significantly intense reflections	0.1516
Weighted residual factors for all reflections included in the refinement	0.1831
Goodness-of-fit parameter for all reflections included in the refinement	1.014
Diffraction radiation wavelength	0.7527 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.	7062886.cif
287715	2023-11-22	cif/ Adding structures of 7062886, 7062887, 7062888, 7062889 via cif-deposit CGI script.	7062886.cif