Crystallography Open Database

Information card for entry 4002650

Preview

Coordinates	4002650.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	UHM-25-Ala-Boc
Formula	C36 H32 Cu2 N O13
Calculated formula	C32.625 H25.125 Cu2 N O11.5
Title of publication	A New Set of Isoreticular, Homochiral Metal‒Organic Frameworks with ucp Topology
Authors of publication	Sartor, Michael; Stein, Timo; Hoffmann, Frank; Fröba, Michael
Journal of publication	Chemistry of Materials
Year of publication	2016
Journal volume	28
Journal issue	2
Pages of publication	519
a	28.9416 ± 0.0004 Å
b	28.9416 ± 0.0004 Å
c	28.9416 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	24242 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	207
Hermann-Mauguin space group symbol	P 4 3 2
Hall space group symbol	P 4 2 3
Residual factor for all reflections	0.0857
Residual factor for significantly intense reflections	0.0772
Weighted residual factors for significantly intense reflections	0.2309
Weighted residual factors for all reflections included in the refinement	0.2414
Goodness-of-fit parameter for all reflections included in the refinement	1.097
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
175774 (current)	2016-02-04	cif/ Updating files of 4002650, 4002651 Original log message: Adding full bibliography for 4002650--4002651.cif.	4002650.cif
173690	2016-01-09	cif/ Adding structures of 4002650 via cif-deposit CGI script.	4002650.cif