Crystallography Open Database

Information card for entry 7107232

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Coordinates	7107232.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C204 H342 Ag44 N10 O110 V36
Calculated formula	C204 H324 Ag44 N10 O110 V36
Title of publication	A pyrovanadate-templated silver(I)-ethynide cluster circumscribed by macrocyclic polyoxovanadate(V)
Authors of publication	Yun-Peng Xie; Thomas Mak
Journal of publication	Chem.Commun.
Year of publication	2012
Journal volume	48
Pages of publication	1123
a	20.25 ± 0.003 Å
b	20.25 ± 0.003 Å
c	84.201 ± 0.019 Å
α	90°
β	90°
γ	90°
Cell volume	34528 ± 11 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	122
Hermann-Mauguin space group symbol	I -4 2 d
Hall space group symbol	I -4 2bw
Residual factor for all reflections	0.1355
Residual factor for significantly intense reflections	0.0981
Weighted residual factors for significantly intense reflections	0.2236
Weighted residual factors for all reflections included in the refinement	0.2448
Goodness-of-fit parameter for all reflections included in the refinement	1.096
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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