Crystallography Open Database

Information card for entry 4002651

Preview

Coordinates	4002651.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	UHM-25-Pro
Formula	C33 H27 Cu2 N O11
Calculated formula	C33 H27 Cu2 N O11
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	29.0261 ± 0.0006 Å
b	29.0261 ± 0.0006 Å
c	29.0261 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	24454.9 ± 0.9 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	0.149
Residual factor for significantly intense reflections	0.1208
Weighted residual factors for significantly intense reflections	0.3108
Weighted residual factors for all reflections included in the refinement	0.3364
Goodness-of-fit parameter for all reflections included in the refinement	1.09
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
211332 (current)	2018-10-05	cif/ Fixing enumeration values for CIF data items _atom_sites_solution_* using cif_fix_values. Data item relocations and exclusion of CIF comment lines might have occurred due to the usage of cif_filter.	4002651.cif
175774	2016-02-04	cif/ Updating files of 4002650, 4002651 Original log message: Adding full bibliography for 4002650--4002651.cif.	4002651.cif
173691	2016-01-09	cif/ Adding structures of 4002651 via cif-deposit CGI script.	4002651.cif