Crystallography Open Database

Information card for entry 7226233

Preview

Coordinates	7226233.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	DUT-64
Formula	C52 H32 Cu2 N1.33 O10
Calculated formula	C52 H32 Cu2 N1.33333 O10
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	35.49 ± 0.004 Å
b	35.49 ± 0.004 Å
c	35.49 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	44701 ± 9 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	223
Hermann-Mauguin space group symbol	P m -3 n
Hall space group symbol	-P 4n 2 3
Residual factor for all reflections	0.1268
Residual factor for significantly intense reflections	0.0771
Weighted residual factors for significantly intense reflections	0.2502
Weighted residual factors for all reflections included in the refinement	0.2861
Goodness-of-fit parameter for all reflections included in the refinement	0.827
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.	7226233.cif
185796	2016-08-13	cif/ Adding structures of 7226232, 7226233, 7226234, 7226235, 7226236 via cif-deposit CGI script.	7226233.cif