Crystallography Open Database

Information card for entry 1557243

Preview

Coordinates	1557243.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23.5 H22 Co N2 O8 S
Calculated formula	C23.5 H21.5 Co N2 O8 S
Title of publication	A Pair of Co<sup>II</sup> Supramolecular Isomers Based on Flexible Bis-Pyridyl-Bis-Amide and Angular Dicarboxylate Ligands.
Authors of publication	Chhetri, Pradhumna Mahat; Wu, Ming-Hao; Hsieh, Chou-Ting; Yang, Xiang-Kai; Wu, Chen-Ming; Yang, En-Che; Wang, Chih-Chieh; Chen, Jhy-Der
Journal of publication	Molecules (Basel, Switzerland)
Year of publication	2020
Journal volume	25
Journal issue	1
Pages of publication	201
a	9.2206 ± 0.0008 Å
b	11.0642 ± 0.001 Å
c	13.345 ± 0.0012 Å
α	96.611 ± 0.005°
β	109.696 ± 0.005°
γ	103.697 ± 0.005°
Cell volume	1216.7 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0946
Residual factor for significantly intense reflections	0.0573
Weighted residual factors for significantly intense reflections	0.1348
Weighted residual factors for all reflections included in the refinement	0.1531
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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
247878 (current)	2020-02-05	cif/ Adding structures of 1557242, 1557243 via cif-deposit CGI script.	1557243.cif