Crystallography Open Database

Information card for entry 1515254

Preview

Coordinates	1515254.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H10 Cd N4
Calculated formula	C7.5 H10 Cd N4
Title of publication	Synthesis and characterization of isostructural cadmium zeolitic imidazolate frameworks via solvent-assisted linker exchange
Authors of publication	Karagiaridi, Olga; Bury, Wojciech; Sarjeant, Amy A.; Stern, Charlotte L.; Farha, Omar K.; Hupp, Joseph T.
Journal of publication	Chemical Science
Year of publication	2012
Journal volume	3
Journal issue	11
Pages of publication	3256
a	30.5539 ± 0.0005 Å
b	30.5539 Å
c	30.5539 Å
α	90°
β	90°
γ	90°
Cell volume	28523.3 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
Space group number	229
Hermann-Mauguin space group symbol	I m -3 m
Hall space group symbol	-I 4 2 3
Residual factor for all reflections	0.0942
Residual factor for significantly intense reflections	0.0673
Weighted residual factors for significantly intense reflections	0.2216
Weighted residual factors for all reflections included in the refinement	0.2352
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1515254.html