Crystallography Open Database

Information card for entry 7250250

Preview

Coordinates	7250250.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H24 Cl Co N6 O9 S
Calculated formula	C7 H24 Cl Co N6 O8.999 S
Title of publication	Multi-component supramolecular compounds containing hexaamminecobalt(iii) cations and aromatic sulfonic acid derivatives
Authors of publication	Beleaev, Ecaterina S.; Kravtsov, Victor Ch.; Chumakov, Yurii; Baca, Svetlana G.
Journal of publication	CrystEngComm
Year of publication	2025
Journal volume	27
Journal issue	19
Pages of publication	3018 - 3031
a	25.0699 ± 0.001 Å
b	7.2512 ± 0.0004 Å
c	10.8265 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	1968.12 ± 0.17 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0584
Residual factor for significantly intense reflections	0.0485
Weighted residual factors for significantly intense reflections	0.1471
Weighted residual factors for all reflections included in the refinement	0.1559
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
300696 (current)	2025-07-06	cif/ Updating files of 7250246, 7250247, 7250248, 7250249, 7250250, 7250251, 7250252 Original log message: Adding full bibliography for 7250246--7250252.cif.	7250250.cif
299221	2025-04-09	cif/ Adding structures of 7250246, 7250247, 7250248, 7250249, 7250250, 7250251, 7250252 via cif-deposit CGI script.	7250250.cif