Crystallography Open Database

Information card for entry 2312548

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Structure parameters

Chemical name	<i>catena</i>-Poly[[[4-bromo-2-((<i>Z</i>)-{[2-(thiophen-2-yl)ethyl]imino}methyl)phenolato-κ^2^<i>N</i>,<i>O</i>]cobalt(III)]-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>]
Formula	C27 H22 Br2 Co N3 O2 S3
Calculated formula	C27 H22 Br2 Co N3 O2 S3
Title of publication	A novel one-dimensional thiocyanate-bridged cobalt(III) complex: synthesis, crystal structure characterization and Hirshfeld surface analysis.
Authors of publication	Mandal, Uttam; Rizzoli, Corrado; Chakraborty, Bikash; Bandyopadhyay, Debasis; Mandal, Santanu
Journal of publication	Acta crystallographica. Section C, Structural chemistry
Year of publication	2024
Journal volume	80
Journal issue	8
a	16.5337 ± 0.0009 Å
b	13.2578 ± 0.0007 Å
c	13.4575 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	2949.9 ± 0.3 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	7
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0358
Residual factor for significantly intense reflections	0.0332
Weighted residual factors for significantly intense reflections	0.094
Weighted residual factors for all reflections included in the refinement	0.0956
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

Version history

Revision	Date	Message	Files
293366 (current)	2024-07-11	cif/ hkl/ Adding structures of 2312548 via cif-deposit CGI script.	2312548.cif 2312548.hkl