Crystallography Open Database

Information card for entry 7201411

7201410 << 7201411 >> 7201412

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Coordinates	7201411.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H114 Cu3 Mo6 N12 O57 Te
Calculated formula	C72 H114 Cu3 Mo6 N12 O57 Te
Title of publication	The first crystallographic observation of up to the third hydration layer of Cu(II) ion in an unusual ‘water-cation layer’ templated by an Anderson polyoxometallate
Authors of publication	Ali, Mahammad; Dutta, Daipayan; Biswas, Surajit; Marek, Jaromir; Jana, Atish Dipankar
Journal of publication	CrystEngComm
Year of publication	2009
Journal volume	11
Journal issue	12
Pages of publication	2608
a	17.2848 ± 0.0006 Å
b	17.2848 ± 0.0006 Å
c	19.256 ± 0.0011 Å
α	90°
β	90°
γ	120°
Cell volume	4982.2 ± 0.4 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	7
Space group number	163
Hermann-Mauguin space group symbol	P -3 1 c
Hall space group symbol	-P 3 2c
Residual factor for all reflections	0.064
Residual factor for significantly intense reflections	0.0554
Weighted residual factors for significantly intense reflections	0.1312
Weighted residual factors for all reflections included in the refinement	0.1351
Goodness-of-fit parameter for all reflections included in the refinement	1.152
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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