Crystallography Open Database

Information card for entry 7113774

Preview

Coordinates	7113774.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H30 Fe N10 O6
Calculated formula	C19 H20 Fe N10 O6
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	6.6651 ± 0.0001 Å
b	14.2444 ± 0.0003 Å
c	14.5059 ± 0.0004 Å
α	84.574 ± 0.005°
β	79.961 ± 0.005°
γ	77.478 ± 0.005°
Cell volume	1321.54 ± 0.06 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.129
Residual factor for significantly intense reflections	0.047
Weighted residual factors for all reflections	0.209
Weighted residual factors for all reflections included in the refinement	0.062
Goodness-of-fit parameter for all reflections	4.354
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	Mo-Kα
Duplicate of	7103666
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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