Crystallography Open Database

Information card for entry 4338734

Preview

Coordinates	4338734.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57 H32 N5 O13 Zn3
Calculated formula	C57 H32 N5 O13 Zn3
Title of publication	Stoichiometry-Controlled Two Flexible Interpenetrated Frameworks: Higher CO2 Uptake in a Nanoscale Counterpart Supported by Accelerated Adsorption Kinetics.
Authors of publication	Sikdar, Nivedita; Hazra, Arpan; Maji, Tapas Kumar
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	12
Pages of publication	5993 - 6002
a	14.1046 ± 0.0005 Å
b	19.926 ± 0.0007 Å
c	25.9898 ± 0.0009 Å
α	90°
β	90.005 ± 0.001°
γ	90°
Cell volume	7304.4 ± 0.4 Å³
Cell temperature	240 ± 2 K
Ambient diffraction temperature	240 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.114
Residual factor for significantly intense reflections	0.0672
Weighted residual factors for significantly intense reflections	0.1933
Weighted residual factors for all reflections included in the refinement	0.232
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179490 (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 4/33/87.	4338734.cif
119098	2014-07-05	cif/ Updating files of 4338733, 4338734 Original log message: Adding full bibliography for 4338733--4338734.cif.	4338734.cif
115966	2014-06-06	cif/ Adding structures of 4338733, 4338734 via cif-deposit CGI script.	4338734.cif