Crystallography Open Database

Information card for entry 4131898

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Coordinates	4131898.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H29 Cu2 N5 O8
Calculated formula	C29 H29 Cu2 N5 O8
Title of publication	The Different Faces of 4'-Pyrimidinyl-Functionalized 4,2':6',4''-Terpyridines: Metal-Organic Assemblies from Solution and on Au(111) and Cu(111) Surface Platforms.
Authors of publication	Nijs, Thomas; Klein, Y. Maximilian; Mousavi, S. Fatemeh; Ahsan, Aisha; Nowakowska, Sylwia; Constable, Edwin C.; Housecroft, Catherine E.; Jung, Thomas A.
Journal of publication	Journal of the American Chemical Society
Year of publication	2018
Journal volume	140
Journal issue	8
Pages of publication	2933 - 2939
a	26.0869 ± 0.0015 Å
b	14.8694 ± 0.0009 Å
c	8.1356 ± 0.0005 Å
α	90°
β	108.012 ± 0.003°
γ	90°
Cell volume	3001.1 ± 0.3 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.052
Residual factor for significantly intense reflections	0.0495
Weighted residual factors for all reflections	0.1261
Weighted residual factors for significantly intense reflections	0.125
Weighted residual factors for all reflections included in the refinement	0.1258
Goodness-of-fit parameter for all reflections included in the refinement	1.0222
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
241989 (current)	2019-11-25	cif/ Adding structures of 4131898 via cif-deposit CGI script.	4131898.cif