Crystallography Open Database

Information card for entry 4130450

Preview

Coordinates	4130450.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Co-BDTriP
Formula	C109.02 H71.02 Cl3 Co13.44 N63.98 O5.04
Calculated formula	C104.016 H56.016 Cl3 Co13.44 N63.984 O5.04
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	18.6522 ± 0.0005 Å
b	18.6522 ± 0.0005 Å
c	18.6522 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	6489.2 ± 0.3 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	0.061
Residual factor for significantly intense reflections	0.0463
Weighted residual factors for significantly intense reflections	0.1099
Weighted residual factors for all reflections included in the refinement	0.1233
Goodness-of-fit parameter for all reflections included in the refinement	1.118
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
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.	4130450.cif