Crystallography Open Database

Information card for entry 7226566

Preview

Coordinates	7226566.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H40 N6 O7
Calculated formula	C36 H34 N6 O7
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	12.1013 ± 0.0003 Å
b	12.1013 ± 0.0003 Å
c	24.5291 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	3592.08 ± 0.18 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	96
Hermann-Mauguin space group symbol	P 43 21 2
Hall space group symbol	P 4nw 2abw
Residual factor for all reflections	0.1147
Residual factor for significantly intense reflections	0.0999
Weighted residual factors for significantly intense reflections	0.3109
Weighted residual factors for all reflections included in the refinement	0.3351
Goodness-of-fit parameter for all reflections included in the refinement	1.079
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.	7226566.cif
186616	2016-09-17	cif/ Adding structures of 7226566, 7226567, 7226568, 7226569, 7226570 via cif-deposit CGI script.	7226566.cif