Crystallography Open Database

Information card for entry 7122412

Preview

Coordinates	7122412.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C160 H136 Br5.69 Dy4 N56 O27.25
Calculated formula	C160 H136 Br5.688 Dy4 N56 O27.244
Title of publication	From double-shelled grids to supramolecular frameworks.
Authors of publication	Wu, Jianfeng; Guo, Mei; Li, Xiao-Lei; Zhao, Lang; Sun, Qing-Fu; Layfield, Richard A.; Tang, Jinkui
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	85
Pages of publication	12097 - 12100
a	63.74 ± 0.005 Å
b	63.74 ± 0.005 Å
c	63.74 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	258962 ± 4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	230
Hermann-Mauguin space group symbol	I a -3 d
Hall space group symbol	-I 4bd 2c 3
Residual factor for all reflections	0.1469
Residual factor for significantly intense reflections	0.1005
Weighted residual factors for significantly intense reflections	0.2455
Weighted residual factors for all reflections included in the refinement	0.2946
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
228375 (current)	2019-11-17	cif/ Updating files of 7122412, 7122413 Original log message: Adding full bibliography for 7122412--7122413.cif.	7122412.cif
211280	2018-10-03	cif/ Adding structures of 7122412, 7122413 via cif-deposit CGI script.	7122412.cif