Crystallography Open Database

Information card for entry 7226568

Preview

Coordinates	7226568.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H30 Cd Cl2 N6 O4
Calculated formula	C34 H30 Cd Cl2 N6 O4
Title of publication	Molecular tectonics: homochiral coordination polymers based on pyridyl-substituted cyclic tetrapeptides
Authors of publication	Ganß, Alexander; Xu, Chaojie; Guenet, Aurélie; Kelm, Harald; Kyritsakas, Nathalie; Planeix, Jean-Marc; Kubik, Stefan; Hosseini, Mir Wais
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	40
Pages of publication	7685
a	23.6335 ± 0.0014 Å
b	4.9941 ± 0.0002 Å
c	18.5991 ± 0.0012 Å
α	90°
β	123.025 ± 0.004°
γ	90°
Cell volume	1840.5 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0561
Residual factor for significantly intense reflections	0.052
Weighted residual factors for significantly intense reflections	0.1504
Weighted residual factors for all reflections included in the refinement	0.1541
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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
188089 (current)	2016-11-08	cif/ Updating files of 7226566, 7226567, 7226568, 7226569, 7226570 Original log message: Adding full bibliography for 7226566--7226570.cif.	7226568.cif
186616	2016-09-17	cif/ Adding structures of 7226566, 7226567, 7226568, 7226569, 7226570 via cif-deposit CGI script.	7226568.cif