Crystallography Open Database

Information card for entry 4507228

Preview

Coordinates	4507228.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C105 H95 N10 O20 Zn4
Calculated formula	C105 H95 N10 O20 Zn4
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	12.036 ± 0.002 Å
b	16.838 ± 0.003 Å
c	40.383 ± 0.008 Å
α	90°
β	90.46 ± 0.03°
γ	90°
Cell volume	8184 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.0744
Residual factor for significantly intense reflections	0.0483
Weighted residual factors for significantly intense reflections	0.1097
Weighted residual factors for all reflections included in the refinement	0.1139
Goodness-of-fit parameter for all reflections included in the refinement	0.991
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
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.	4507228.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4507228.cif
73860	2013-02-21	cif/ Adding structures of 4507228 via cif-deposit CGI script.	4507228.cif