Crystallography Open Database

Information card for entry 4507229

Preview

Coordinates	4507229.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H34 Cu2 N4 O10
Calculated formula	C42 H34 Cu2 N4 O10
Title of publication	Selective Adsorption Properties of Cationic Metal‒Organic Frameworks Based on Imidazolic Linker
Authors of publication	Nickerl, Georg; Notzon, Andreas; Heitbaum, Maja; Senkovska, Irena; Glorius, Frank; Kaskel, Stefan
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	1
Pages of publication	198
a	27.597 ± 0.004 Å
b	27.597 ± 0.004 Å
c	21.871 ± 0.004 Å
α	90°
β	90°
γ	120°
Cell volume	14425 ± 4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Ambient diffracton pressure	100 kPa
Number of distinct elements	5
Space group number	165
Hermann-Mauguin space group symbol	P -3 c 1
Hall space group symbol	-P 3 2"c
Residual factor for all reflections	0.0642
Residual factor for significantly intense reflections	0.0594
Weighted residual factors for significantly intense reflections	0.1818
Weighted residual factors for all reflections included in the refinement	0.1882
Goodness-of-fit parameter for all reflections included in the refinement	1.088
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
179608 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/72.	4507229.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4507229.cif
73861	2013-02-21	cif/ Adding structures of 4507229 via cif-deposit CGI script.	4507229.cif