Crystallography Open Database

Information card for entry 7210060

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Coordinates	7210060.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C79 H153 Mn Mo6 N8 O29
Calculated formula	C69.3 H128.5 Mn Mo6 N7.1 O28.4
Title of publication	Programming the assembly of carboxylic acid-functionalised hybrid polyoxometalates
Authors of publication	Hutin, Marie; Yvon, Carine; Yan, Jun; Macdonell, Andrew; Long, De-Liang; Cronin, Leroy
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	22
Pages of publication	4422
a	18.0293 ± 0.0007 Å
b	20.8575 ± 0.0008 Å
c	26.7597 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	10062.9 ± 0.7 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.1592
Residual factor for significantly intense reflections	0.0823
Weighted residual factors for significantly intense reflections	0.1817
Weighted residual factors for all reflections included in the refinement	0.2247
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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