Crystallography Open Database

Information card for entry 4077640

Preview

Coordinates	4077640.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H48 Cl2 Cr2 Mn2 N2 O15
Calculated formula	C49 H44 Cl2 Cr2 Mn2 N2 O15
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	9.189 ± 0.0002 Å
b	12.903 ± 0.0004 Å
c	13.061 ± 0.0004 Å
α	62.701 ± 0.007°
β	76.915 ± 0.007°
γ	76.943 ± 0.007°
Cell volume	1326.98 ± 0.11 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.074
Residual factor for significantly intense reflections	0.047
Weighted residual factors for all reflections	0.076
Weighted residual factors for all reflections included in the refinement	0.075
Goodness-of-fit parameter for all reflections	1.556
Goodness-of-fit parameter for all reflections included in the refinement	1.525
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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