Crystallography Open Database

Information card for entry 4130448

Preview

Coordinates	4130448.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Co-BDTriP-DMF
Formula	C140 H140 Cl3 Co14.4 N76 O14.4
Calculated formula	C104.002 H56.0016 Cl3 Co14.4 N63.9984 O14.4
Title of publication	Selective, Tunable O2 Binding in Cobalt(II)-Triazolate/Pyrazolate Metal-Organic Frameworks.
Authors of publication	Xiao, Dianne J.; Gonzalez, Miguel I.; Darago, Lucy E.; Vogiatzis, Konstantinos D.; Haldoupis, Emmanuel; Gagliardi, Laura; Long, Jeffrey R.
Journal of publication	Journal of the American Chemical Society
Year of publication	2016
Journal volume	138
Journal issue	22
Pages of publication	7161 - 7170
a	18.8345 ± 0.0007 Å
b	18.8345 ± 0.0007 Å
c	18.8345 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	6681.3 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	221
Hermann-Mauguin space group symbol	P m -3 m
Hall space group symbol	-P 4 2 3
Residual factor for all reflections	0.0503
Residual factor for significantly intense reflections	0.0462
Weighted residual factors for significantly intense reflections	0.1537
Weighted residual factors for all reflections included in the refinement	0.159
Goodness-of-fit parameter for all reflections included in the refinement	1.114
Diffraction radiation wavelength	0.7749 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
240879 (current)	2019-11-25	cif/ Adding structures of 4130448, 4130449, 4130450, 4130451 via cif-deposit CGI script.	4130448.cif