Crystallography Open Database

Information card for entry 4077641

Preview

Coordinates	4077641.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H32 Cr Mn N O7
Calculated formula	C28 H32 Cr Mn N O7
Title of publication	Organometallic Helices: The Mechanism of Formation of “Metallospiralenes”
Authors of publication	Djukic, Jean-Pierre; Maisse-François, Aline; Pfeffer, Michel; Dötz, Karl Heinz; De Cian, André; Fischer, Jean
Journal of publication	Organometallics
Year of publication	2000
Journal volume	19
Journal issue	25
Pages of publication	5484
a	10.4149 ± 0.0003 Å
b	16.1127 ± 0.0003 Å
c	16.8256 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	2823.54 ± 0.13 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.054
Residual factor for significantly intense reflections	0.034
Weighted residual factors for all reflections	0.045
Weighted residual factors for all reflections included in the refinement	0.041
Goodness-of-fit parameter for all reflections	1.027
Goodness-of-fit parameter for all reflections included in the refinement	0.924
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	Mo-Kα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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