Crystallography Open Database

Information card for entry 4118954

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Coordinates	4118954.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25.33 H20 Co Mo N4.67 O9.36
Calculated formula	C25.32 H20 Co Mo N4.66667 O9.359
Title of publication	Highly Selective CO2 Uptake in Uninodal 6-Connected "mmo" Nets Based upon MO42- (M = Cr, Mo) Pillars
Authors of publication	Mona H. Mohamed; Sameh K. Elsaidi; Lukasz Wojtas; Tony Pham; Katherine A. Forrest; Brant Tudor; Brian Space; Michael J. Zaworotko
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	19556 - 19559
a	21.3191 ± 0.0003 Å
b	21.3191 ± 0.0003 Å
c	17.925 ± 0.0003 Å
α	90°
β	90°
γ	120°
Cell volume	7055.5 ± 0.18 Å³
Cell temperature	228 ± 2 K
Ambient diffraction temperature	228 ± 2 K
Number of distinct elements	6
Space group number	155
Hermann-Mauguin space group symbol	R 3 2 :H
Hall space group symbol	R 3 2"
Residual factor for all reflections	0.0251
Residual factor for significantly intense reflections	0.0241
Weighted residual factors for significantly intense reflections	0.0573
Weighted residual factors for all reflections included in the refinement	0.0577
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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