Crystallography Open Database

Information card for entry 7705195

Preview

Coordinates	7705195.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H32 Co N6 S2
Calculated formula	C24 H32 Co N6 S2
SMILES	[Co]123([N]4(Cc5[n]3c(C[N]1(C(C)(C)C)Cc1[n]2c(C4)ccc1)ccc5)C(C)(C)C)(N=C=S)N=C=S
Title of publication	Tuning of Spin Crossover Properties in a Series of Mononuclear Cobalt(II) Complexes Based on Macrocyclic Tetradentate Ligand and Pseudohalide Coligands
Authors of publication	Ghosh, Subrata; Selvamani, S.; Kamilya, Sujit; Mehta, Sakshi; Mondal, Abhishake
Journal of publication	Dalton Transactions
Year of publication	2020
a	11.6028 ± 0.0009 Å
b	13.9245 ± 0.0011 Å
c	15.2779 ± 0.0012 Å
α	90°
β	90.056 ± 0.004°
γ	90°
Cell volume	2468.3 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0787
Residual factor for significantly intense reflections	0.0419
Weighted residual factors for significantly intense reflections	0.0864
Weighted residual factors for all reflections included in the refinement	0.1026
Goodness-of-fit parameter for all reflections included in the refinement	1.009
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
255417 (current)	2020-08-18	cif/ Adding structures of 7705192, 7705193, 7705194, 7705195, 7705196, 7705197 via cif-deposit CGI script.	7705195.cif