Crystallography Open Database

Information card for entry 4118953

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Coordinates	4118953.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H20 Cr N4 Ni O9.17
Calculated formula	C24 H20 Cr N4 Ni O9.17333
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	21.1759 ± 0.0003 Å
b	21.1759 ± 0.0003 Å
c	17.4734 ± 0.0003 Å
α	90°
β	90°
γ	120°
Cell volume	6785.66 ± 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	0.0348
Residual factor for significantly intense reflections	0.0327
Weighted residual factors for significantly intense reflections	0.0883
Weighted residual factors for all reflections included in the refinement	0.0891
Goodness-of-fit parameter for all reflections included in the refinement	1.083
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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