Crystallography Open Database

Information card for entry 7045250

Preview

Coordinates	7045250.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H96 Cl2 N2 O32 V8
Calculated formula	C52 H96 Cl2 N2 O32 V8
Title of publication	Halide encapsulation by dicarboxylate oxido-vanadium cage complexes.
Authors of publication	Gómez, Margarita; Pastor, Antonio; Álvarez, Eleuterio; Olloqui-Sariego, José Luis; Galindo, Agustín
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	7
Pages of publication	2183 - 2191
a	14.8986 ± 0.0004 Å
b	16.7125 ± 0.0005 Å
c	17.4333 ± 0.0005 Å
α	64.285 ± 0.001°
β	85.785 ± 0.001°
γ	86.132 ± 0.001°
Cell volume	3897.2 ± 0.2 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 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	0.0703
Residual factor for significantly intense reflections	0.0586
Weighted residual factors for significantly intense reflections	0.1652
Weighted residual factors for all reflections included in the refinement	0.1739
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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