Crystallography Open Database

Information card for entry 7052732

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Coordinates	7052732.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27.5 H33 B Mn N3 O6
Calculated formula	C27.5 H33 B Mn N3 O6
Title of publication	Anodic electrochemistry of Mn and Re tricarbonyl complexes of tris(oxazolinyl)phenyl borate ligands: comparison to tris(pyrazolyl) borate complexes
Authors of publication	Wu, Kan; Mukherjee, Debabrata; Ellern, Arkady; Sadow, Aaron D.; Geiger, William E.
Journal of publication	New Journal of Chemistry
Year of publication	2011
Journal volume	35
Journal issue	10
Pages of publication	2169
a	8.766 ± 0.004 Å
b	9.139 ± 0.004 Å
c	17.493 ± 0.008 Å
α	88.637 ± 0.008°
β	82.993 ± 0.007°
γ	87.624 ± 0.007°
Cell volume	1389.5 ± 1.1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1181
Residual factor for significantly intense reflections	0.0878
Weighted residual factors for significantly intense reflections	0.2461
Weighted residual factors for all reflections included in the refinement	0.2832
Goodness-of-fit parameter for all reflections included in the refinement	1.086
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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