Crystallography Open Database

Information card for entry 1573828

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Coordinates	1573828.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H30 Co N4 O2
Calculated formula	C30 H30 Co N4 O2
Title of publication	THz-EPR-based Magneto-Structural Correlations for Cobalt(II) Single-Ion Magnets With Bis-Chelate Coordination
Authors of publication	Maximilian H. Pohle; Thomas Lohmiller; Michael Böhme; Michał Rams; Sven Ziegenbalg; Helmar Görls; Alexander Schnegg; Winfried Plass
Journal of publication	Chemistry - A European Journal
Year of publication	2024
Journal volume	30
Journal issue	60
Pages of publication	e202401545(1) - e202401545(14)
a	10.1242 ± 0.0003 Å
b	16.4696 ± 0.0004 Å
c	17.3838 ± 0.0004 Å
α	115.052 ± 0.001°
β	95.934 ± 0.002°
γ	98.372 ± 0.001°
Cell volume	2553.51 ± 0.12 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 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	0.0702
Residual factor for significantly intense reflections	0.0552
Weighted residual factors for significantly intense reflections	0.1065
Weighted residual factors for all reflections included in the refinement	0.1161
Goodness-of-fit parameter for all reflections included in the refinement	1.133
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
297563 (current)	2025-02-01	cif/ Adding structures of 1573828, 1573829, 1573830, 1573831 via cif-deposit CGI script.	1573828.cif