Crystallography Open Database

Information card for entry 7053662

Preview

Coordinates	7053662.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H118 Fe2 N6 O23 V6
Calculated formula	C68 H118 Fe2 N6 O23 V6
Title of publication	Synthesis, structural characterisation and bonding in an anionic hexavanadate bearing redox-active ferrocenyl groups at the periphery
Authors of publication	Schulz, Jiří; Gyepes, Róbert; Císařová, Ivana; Štěpnička, Petr
Journal of publication	New Journal of Chemistry
Year of publication	2010
Journal volume	34
Journal issue	12
Pages of publication	2749
a	12.648 ± 0.0002 Å
b	15.8602 ± 0.0002 Å
c	20.3923 ± 0.0003 Å
α	84.8847 ± 0.0008°
β	79.9909 ± 0.0007°
γ	78.0411 ± 0.0008°
Cell volume	3935 ± 0.1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.062
Residual factor for significantly intense reflections	0.0425
Weighted residual factors for significantly intense reflections	0.1028
Weighted residual factors for all reflections included in the refinement	0.1128
Goodness-of-fit parameter for all reflections included in the refinement	1.063
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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