Crystallography Open Database

Information card for entry 4133727

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Coordinates	4133727.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Co2mdobdc_1C4H8
Formula	C7.28 H7.56 Co O3
Calculated formula	C7.78 H7.56 Co O3
Title of publication	Thermodynamic Separation of 1-Butene from 2-Butene in Metal-Organic Frameworks with Open Metal Sites.
Authors of publication	Barnett, Brandon R.; Parker, Surya T.; Paley, Maria V.; Gonzalez, Miguel I.; Biggins, Naomi; Oktawiec, Julia; Long, Jeffrey R.
Journal of publication	Journal of the American Chemical Society
Year of publication	2019
Journal volume	141
Journal issue	45
Pages of publication	18325 - 18333
a	25.982 ± 0.001 Å
b	25.982 ± 0.001 Å
c	6.8437 ± 0.0005 Å
α	90°
β	90°
γ	120°
Cell volume	4001 ± 0.4 Å³
Cell temperature	250 K
Ambient diffraction temperature	250 K
Number of distinct elements	4
Space group number	160
Hermann-Mauguin space group symbol	R 3 m :H
Hall space group symbol	R 3 -2"
Residual factor R(I) for significantly intense reflections	0.032
Goodness-of-fit parameter for all reflections	4.053
Method of determination	powder diffraction
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.45415 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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