Crystallography Open Database

Information card for entry 7705896

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Coordinates	7705896.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H38 Co2 N4 O9 S2
Calculated formula	C31 H38 Co2 N4 O9 S2
Title of publication	Field-induced single molecule magnet behavior of a dinuclear cobalt(II) complex: a combined experimental and theoretical study.
Authors of publication	Banerjee, Abhisek; Banerjee, Snehasis; Gómez García, Carlos J; Benmansour, Samia; Chattopadhyay, Shouvik
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	46
Pages of publication	16778 - 16790
a	10.8887 ± 0.0008 Å
b	11.0302 ± 0.0008 Å
c	16.9783 ± 0.0013 Å
α	82.785 ± 0.003°
β	80.434 ± 0.003°
γ	66.001 ± 0.002°
Cell volume	1833.2 ± 0.2 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0672
Residual factor for significantly intense reflections	0.0453
Weighted residual factors for significantly intense reflections	0.131
Weighted residual factors for all reflections included in the refinement	0.1577
Goodness-of-fit parameter for all reflections included in the refinement	1.12
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
259700 (current)	2020-12-09	cif/ Adding structures of 7705896, 7705897 via cif-deposit CGI script.	7705896.cif