Crystallography Open Database

Information card for entry 7226232

Preview

Coordinates	7226232.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	DUT-63
Formula	C78 H48 Cu3 N2 O15
Calculated formula	C78 H48 Cu3 N2 O15
Title of publication	Topological control of 3,4-connected frameworks based on the Cu2-paddle-wheel node: tbo or pto, and why?
Authors of publication	Müller, Philipp; Grünker, Ronny; Bon, Volodymyr; Pfeffermann, Martin; Senkovska, Irena; Weiss, Manfred S.; Feng, Xinliang; Kaskel, Stefan
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	42
Pages of publication	8164
a	60.91 ± 0.007 Å
b	60.91 ± 0.007 Å
c	60.91 ± 0.007 Å
α	90°
β	90°
γ	90°
Cell volume	225978 ± 4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	209
Hermann-Mauguin space group symbol	F 4 3 2
Hall space group symbol	F 4 2 3
Residual factor for all reflections	0.1126
Residual factor for significantly intense reflections	0.054
Weighted residual factors for significantly intense reflections	0.1205
Weighted residual factors for all reflections included in the refinement	0.1394
Goodness-of-fit parameter for all reflections included in the refinement	0.65
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.88561 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
188099 (current)	2016-11-08	cif/ Updating files of 7226232, 7226233, 7226234, 7226235, 7226236 Original log message: Adding full bibliography for 7226232--7226236.cif.	7226232.cif
185796	2016-08-13	cif/ Adding structures of 7226232, 7226233, 7226234, 7226235, 7226236 via cif-deposit CGI script.	7226232.cif