Crystallography Open Database

Information card for entry 4118955

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Coordinates	4118955.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H20 Mo N5 Ni O7.58
Calculated formula	C25.9867 H20 Mo N5 Ni O7.57
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	21.0856 ± 0.0009 Å
b	21.0856 ± 0.0009 Å
c	17.9678 ± 0.0008 Å
α	90°
β	90°
γ	120°
Cell volume	6918.3 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0323
Residual factor for significantly intense reflections	0.0322
Weighted residual factors for significantly intense reflections	0.0869
Weighted residual factors for all reflections included in the refinement	0.087
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	0.41328 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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