Crystallography Open Database

Information card for entry 7108737

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Coordinates	7108737.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cs4 Mo5 O22 P2
Calculated formula	Cs4 Mo5 O22 P2
Title of publication	Cs4Mo5P2O22: a first Strandberg-type POM with 1D straight chains of polymerized [Mo5P2O23]^6-^ units and moderate second harmonic generation response
Authors of publication	Ying Wang; Shilie Pan; Hongwei Yu; Xin Su; Min Zhang; Fangfang Zhang; Jian Han
Journal of publication	Chem.Commun.
Year of publication	2013
Journal volume	49
Pages of publication	306
a	6.622 ± 0.005 Å
b	20.485 ± 0.015 Å
c	17.748 ± 0.013 Å
α	90°
β	90°
γ	90°
Cell volume	2408 ± 3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	20
Hermann-Mauguin space group symbol	C 2 2 21
Hall space group symbol	C 2c 2
Residual factor for all reflections	0.0383
Residual factor for significantly intense reflections	0.0314
Weighted residual factors for significantly intense reflections	0.0483
Weighted residual factors for all reflections included in the refinement	0.0503
Goodness-of-fit parameter for all reflections included in the refinement	1.009
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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