Crystallography Open Database

Information card for entry 7113775

Preview

Coordinates	7113775.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H28 Fe N10 O
Calculated formula	C25 H28 Fe N10 O
Title of publication	Charge assisted chiral hybrid H-bonded molecular networks
Authors of publication	Ferlay, Sylvie; Holakovsky, Roman; Hosseini, Mir Wais; Planeix, Jean-Marc; Kyritsakas, Nathalie
Journal of publication	Chemical Communications (Cambridge, United Kingdom)
Year of publication	2003
Journal issue	11
Pages of publication	1224 - 1225
a	6.845 ± 0.0002 Å
b	18.2841 ± 0.0004 Å
c	21.2222 ± 0.0006 Å
α	90°
β	97.038 ± 0.005°
γ	90°
Cell volume	2636.04 ± 0.12 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 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	0.122
Residual factor for significantly intense reflections	0.035
Weighted residual factors for all reflections	0.125
Weighted residual factors for all reflections included in the refinement	0.037
Goodness-of-fit parameter for all reflections	4.001
Goodness-of-fit parameter for all reflections included in the refinement	1.089
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	Mo-Kα
Duplicate of	7103667
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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