Crystallography Open Database

Information card for entry 4131074

Preview

Coordinates	4131074.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Co(p-F2-bdp)
Formula	C12 H6 Co F2 N4
Calculated formula	C12 H6 Co F2 N4
Title of publication	Tuning the Adsorption-Induced Phase Change in the Flexible Metal-Organic Framework Co(bdp).
Authors of publication	Taylor, Mercedes K.; Runčevski, Tomče; Oktawiec, Julia; Gonzalez, Miguel I.; Siegelman, Rebecca L.; Mason, Jarad A.; Ye, Jinxing; Brown, Craig M.; Long, Jeffrey R.
Journal of publication	Journal of the American Chemical Society
Year of publication	2016
Journal volume	138
Journal issue	45
Pages of publication	15019 - 15026
a	13.2715 ± 0.0005 Å
b	13.2715 ± 0.0005 Å
c	14.6258 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	2576.08 ± 0.17 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	78
Hermann-Mauguin space group symbol	P 43
Hall space group symbol	P 4cw
Residual factor for all reflections	0.0393
Residual factor for significantly intense reflections	0.0354
Weighted residual factors for significantly intense reflections	0.0909
Weighted residual factors for all reflections included in the refinement	0.0929
Goodness-of-fit parameter for all reflections included in the refinement	1.072
Diffraction radiation wavelength	0.8856 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
241377 (current)	2019-11-25	cif/ Adding structures of 4131074 via cif-deposit CGI script.	4131074.cif