Crystallography Open Database

Information card for entry 7108672

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Coordinates	7108672.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H28 Fe I2 O4
Calculated formula	C22 H28 Fe I2 O4
Title of publication	A ferrocene nucleic acid oligomer as an organometallic structural mimic of DNA
Authors of publication	Huy V. Nguyen; Zheng-yun Zhao; Antoine Sallustrau; Sarah L. Horswell; Louise Male; Andrea Mulas; James H. R. Tucker
Journal of publication	Chem.Commun.
Year of publication	2012
Journal volume	48
Pages of publication	12165
a	14.1877 ± 0.0007 Å
b	8.338 ± 0.0002 Å
c	20.9652 ± 0.0009 Å
α	90°
β	101.305 ± 0.002°
γ	90°
Cell volume	2432 ± 0.17 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0654
Residual factor for significantly intense reflections	0.0464
Weighted residual factors for significantly intense reflections	0.0962
Weighted residual factors for all reflections included in the refinement	0.1054
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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