Crystallography Open Database

Information card for entry 7226570

Preview

Coordinates	7226570.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C69 H78 Cl6 Hg3 N18 O15
Calculated formula	C69 H78 Cl6 Hg3 N18 O15
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	10.5415 ± 0.0004 Å
b	23.0604 ± 0.0013 Å
c	35.42 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	8610.3 ± 0.7 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	20
Hermann-Mauguin space group symbol	C 2 2 21
Hall space group symbol	C 2c 2
Residual factor for all reflections	0.0862
Residual factor for significantly intense reflections	0.0844
Weighted residual factors for significantly intense reflections	0.2068
Weighted residual factors for all reflections included in the refinement	0.2076
Goodness-of-fit parameter for all reflections included in the refinement	1.005
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.	7226570.cif
186616	2016-09-17	cif/ Adding structures of 7226566, 7226567, 7226568, 7226569, 7226570 via cif-deposit CGI script.	7226570.cif