Crystallography Open Database

Information card for entry 4337425

Preview

Coordinates	4337425.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	SNU9
Formula	C40 H24 N2 O10 Zn2
Calculated formula	C40 H24 N2 O10 Zn2
Title of publication	In Situ Observation of Gating Phenomena in the Flexible Porous Coordination Polymer Zn2(BPnDC)2(bpy) (SNU-9) in a Combined Diffraction and Gas Adsorption Experiment.
Authors of publication	Bon, Volodymyr; Senkovska, Irena; Wallacher, Dirk; Többens, Daniel M; Zizak, Ivo; Feyerherm, Ralf; Mueller, Uwe; Kaskel, Stefan
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	3
Pages of publication	1513 - 1520
a	21.15 ± 0.004 Å
b	18.85 ± 0.004 Å
c	26.2 ± 0.005 Å
α	90°
β	102.9 ± 0.03°
γ	90°
Cell volume	10182 ± 4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.074
Residual factor for significantly intense reflections	0.0724
Weighted residual factors for significantly intense reflections	0.2126
Weighted residual factors for all reflections included in the refinement	0.2172
Goodness-of-fit parameter for all reflections included in the refinement	1.144
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
179477 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/74.	4337425.cif
106362	2014-03-15	cif/ Adding structures of 4337425 via cif-deposit CGI script.	4337425.cif