Crystallography Open Database

Information card for entry 4077638

Preview

Coordinates	4077638.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H20 Cl2 Cr N O7 Re
Calculated formula	C27 H20 Cl2 Cr N O7 Re
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	9.5566 ± 0.0002 Å
b	13.7631 ± 0.0003 Å
c	20.917 ± 0.0005 Å
α	90°
β	101.106 ± 0.002°
γ	90°
Cell volume	2699.66 ± 0.11 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.042
Residual factor for significantly intense reflections	0.035
Weighted residual factors for all reflections	0.058
Weighted residual factors for all reflections included in the refinement	0.051
Goodness-of-fit parameter for all reflections	1.127
Goodness-of-fit parameter for all reflections included in the refinement	1.015
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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