Crystallography Open Database

Information card for entry 7213932

Preview

Coordinates	7213932.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H20 Cd N4 O5
Calculated formula	C18 H20 Cd N4 O5
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	8.6482 ± 0.0002 Å
b	10.2848 ± 0.0002 Å
c	12.7911 ± 0.0003 Å
α	93.53 ± 0.001°
β	108.249 ± 0.001°
γ	111.453 ± 0.001°
Cell volume	985.46 ± 0.04 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 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	0.0338
Residual factor for significantly intense reflections	0.0292
Weighted residual factors for significantly intense reflections	0.0697
Weighted residual factors for all reflections included in the refinement	0.0721
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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.	7213932.cif
105210	2014-03-11	cif/ Adding structures of 7213928, 7213929, 7213930, 7213931, 7213932, 7213933 via cif-deposit CGI script.	7213932.cif