Crystallography Open Database

Information card for entry 7213931

Preview

Coordinates	7213931.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H19 N2 O7 Zn
Calculated formula	C12 H19 N2 O7 Zn
Title of publication	Flexible dicarboxylate based pillar-layer metal organic frameworks: differences in structure and porosity by tuning the pyridyl based N,N′ linkers
Authors of publication	Dey, Rajdip; Bhattacharya, Biswajit; Pachfule, Pradip; Banerjee, Rahul; Ghoshal, Debajyoti
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	11
Pages of publication	2305
a	5.2008 ± 0.0003 Å
b	9.1754 ± 0.0004 Å
c	16.7077 ± 0.0008 Å
α	96.307 ± 0.003°
β	97.88 ± 0.003°
γ	101.052 ± 0.003°
Cell volume	767.47 ± 0.07 Å³
Cell temperature	298 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0674
Residual factor for significantly intense reflections	0.0453
Weighted residual factors for significantly intense reflections	0.1026
Weighted residual factors for all reflections included in the refinement	0.1101
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
180470 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/39.	7213931.cif
105210	2014-03-11	cif/ Adding structures of 7213928, 7213929, 7213930, 7213931, 7213932, 7213933 via cif-deposit CGI script.	7213931.cif