Crystallography Open Database

Information card for entry 4105549

Preview

Coordinates	4105549.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34.5 H15 Co3 N3.75 O25.07
Calculated formula	C34.5 H15 Co3 N3.75 O25.135
Title of publication	Enhanced CO2 Binding Affinity of a High-Uptakerht-Type Metal-Organic Framework Decorated with Acylamide Groups
Authors of publication	Baishu Zheng; Junfeng Bai; Jingui Duan; Lukasz Wojtas; Michael J. Zaworotko
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	748 - 751
a	42.3067 ± 0.0007 Å
b	42.3067 ± 0.0007 Å
c	42.3067 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	75723 ± 2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	202
Hermann-Mauguin space group symbol	F m -3
Hall space group symbol	-F 2 2 3
Residual factor for all reflections	0.1657
Residual factor for significantly intense reflections	0.0818
Weighted residual factors for significantly intense reflections	0.2115
Weighted residual factors for all reflections included in the refinement	0.2613
Goodness-of-fit parameter for all reflections included in the refinement	1.065
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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