Crystallography Open Database

Information card for entry 7062877

Preview

Coordinates	7062877.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C108 H140 Cl10 I6 K3 Mn3 N12 O18
Calculated formula	C107.997 H139.996 Cl10 I6 K3 Mn3 N12 O18
Title of publication	Manganese(ii) complexes of hexaazatrinaphthylene and hexaazatrianthracene: synthesis, structure and properties
Authors of publication	Mikhailenko, Maxim V.; Ivanov, Vladislav V.; Faraonov, Maxim A.; Kuzmin, Aleksey V.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.
Journal of publication	New Journal of Chemistry
Year of publication	2023
Journal volume	47
Journal issue	48
Pages of publication	22339 - 22349
a	13.8553 ± 0.0002 Å
b	19.0211 ± 0.0003 Å
c	27.1938 ± 0.0005 Å
α	78.617 ± 0.001°
β	89.964 ± 0.001°
γ	70.368 ± 0.002°
Cell volume	6600.6 ± 0.2 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0847
Residual factor for significantly intense reflections	0.0593
Weighted residual factors for significantly intense reflections	0.1195
Weighted residual factors for all reflections included in the refinement	0.134
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation probe	x-ray
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
288854 (current)	2024-01-06	cif/ Updating files of 7062874, 7062875, 7062876, 7062877, 7062878 Original log message: Adding full bibliography for 7062874--7062878.cif.	7062877.cif
287600	2023-11-15	cif/ Adding structures of 7062874, 7062875, 7062876, 7062877, 7062878 via cif-deposit CGI script.	7062877.cif