Crystallography Open Database

Information card for entry 2021964

2021963 << 2021964 >> 2021965

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Structure parameters

Chemical name	Nonakis(2-methoxyaniline) bis(diphosphopentamolybdate) trihydrate
Formula	C59.5 H76.5 Mo10 N8.5 O60.029 P4
Calculated formula	C63 H90 Mo10 N9 O58 P4
Title of publication	Crystal structure of a new polyoxometalate (POM) compound with a high level of crystallographic disorder
Authors of publication	Skorepova, Eliska; Harchani, Ali; Ftini, Mohamed Mongi; Dušek, Michal; Haddad, Amor
Journal of publication	Acta Crystallographica Section C
Year of publication	2020
Journal volume	76
Journal issue	2
a	14.8316 ± 0.0002 Å
b	15.2679 ± 0.0001 Å
c	23.237 ± 0.0002 Å
α	89.1396 ± 0.0007°
β	78.1097 ± 0.0007°
γ	75.4959 ± 0.0008°
Cell volume	4981.24 ± 0.09 Å³
Cell temperature	95 ± 0.6 K
Ambient diffraction temperature	95 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	0.0958
Residual factor for significantly intense reflections	0.0828
Weighted residual factors for significantly intense reflections	0.2124
Weighted residual factors for all reflections included in the refinement	0.2187
Goodness-of-fit parameter for significantly intense reflections	2.93
Goodness-of-fit parameter for all reflections included in the refinement	2.74
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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