Crystallography Open Database

Information card for entry 4102040

4102039 << 4102040 >> 4102041

Preview

Coordinates	4102040.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C144 H175 Co4 N36 O165 P3 W36
Calculated formula	C144 H132 Co4 N36 O165 P3 W36
Title of publication	Crystal Structures and Properties of Large Protonated Water Clusters Encapsulated by Metal-Organic Frameworks
Authors of publication	Chunying Duan; Meilin Wei; Dong Guo; Cheng He; Qingjin Meng
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	3321 - 3330
a	23.1603 ± 0.0012 Å
b	23.1603 ± 0.0012 Å
c	23.1603 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	12423.2 ± 1.1 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	7
Space group number	204
Hermann-Mauguin space group symbol	I m -3
Hall space group symbol	-I 2 2 3
Residual factor for all reflections	0.057
Residual factor for significantly intense reflections	0.0516
Weighted residual factors for significantly intense reflections	0.2052
Weighted residual factors for all reflections included in the refinement	0.2115
Goodness-of-fit parameter for all reflections included in the refinement	1.013
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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