Crystallography Open Database

Information card for entry 7053661

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Coordinates	7053661.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H23 Fe N O5
Calculated formula	C17 H23 Fe N O5
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	29.2486 ± 0.0004 Å
b	10.1996 ± 0.0001 Å
c	11.8137 ± 0.0001 Å
α	90°
β	103.164 ± 0.0009°
γ	90°
Cell volume	3431.7 ± 0.07 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.033
Residual factor for significantly intense reflections	0.0302
Weighted residual factors for significantly intense reflections	0.0772
Weighted residual factors for all reflections included in the refinement	0.0791
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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