Crystallography Open Database

Information card for entry 7215289

Preview

Coordinates	7215289.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H38 Cd I2 N6 O4
Calculated formula	C46 H38 Cd I2 N6 O4
Title of publication	Variation of CO2 adsorption in isostructural Cd(ii)/Co(ii) based MOFs by anion modulation
Authors of publication	Singh, Udai P.; Narang, Shikha; Pachfule, Pradip; Banerjee, Rahul
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	23
Pages of publication	5012
a	25.611 ± 0.0007 Å
b	11.5667 ± 0.0003 Å
c	18.5397 ± 0.0006 Å
α	90°
β	114.345 ± 0.001°
γ	90°
Cell volume	5003.7 ± 0.3 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
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	0.0406
Residual factor for significantly intense reflections	0.0311
Weighted residual factors for significantly intense reflections	0.1106
Weighted residual factors for all reflections included in the refinement	0.1178
Goodness-of-fit parameter for all reflections included in the refinement	0.809
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
180483 (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 7/21/52.	7215289.cif
116194	2014-06-07	cif/ Updating files of 7215287, 7215288, 7215289, 7215290, 7215291 Original log message: Adding full bibliography for 7215287--7215291.cif.	7215289.cif
111723	2014-04-26	cif/ Adding structures of 7215287, 7215288, 7215289, 7215290, 7215291 via cif-deposit CGI script.	7215289.cif