Crystallography Open Database

Information card for entry 7217462

Preview

Coordinates	7217462.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H66 Mo12 N10 O60 P2
Calculated formula	C12 H12 Mo12 N10 O60 P2
Title of publication	Self assembly of carboxylate/alcoholate functionalized ring-shape phosphomolybdates
Authors of publication	Yang, Donghui; Liang, Yanfen; Ma, Pengtao; Li, Suzhi; Wang, Jingping; Niu, Jingyang
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	34
Pages of publication	8041
a	15.184 ± 0.006 Å
b	17.929 ± 0.007 Å
c	16.115 ± 0.006 Å
α	90°
β	117.472 ± 0.006°
γ	90°
Cell volume	3892 ± 3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.1559
Residual factor for significantly intense reflections	0.1098
Weighted residual factors for significantly intense reflections	0.3193
Weighted residual factors for all reflections included in the refinement	0.3417
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Duplicate of	7216649
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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