Crystallography Open Database

Information card for entry 4337662

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Coordinates	4337662.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H97 As2 Mo12 N11 O62
Calculated formula	C24 H36 As2 Mo12 N11 O62
Title of publication	Ligand-directed conformation of inorganic-organic molecular capsule and cage.
Authors of publication	Yang, Donghui; Liang, Yanfen; Ma, Pengtao; Li, Suzhi; Wang, Jingping; Niu, Jingyang
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	6
Pages of publication	3048 - 3053
a	12.066 ± 0.012 Å
b	21 ± 0.02 Å
c	21.87 ± 0.03 Å
α	76.18 ± 0.03°
β	74.673 ± 0.018°
γ	74.569 ± 0.016°
Cell volume	5066 ± 10 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1179
Residual factor for significantly intense reflections	0.0641
Weighted residual factors for significantly intense reflections	0.1683
Weighted residual factors for all reflections included in the refinement	0.1882
Goodness-of-fit parameter for all reflections included in the refinement	1.001
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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