Crystallography Open Database

Information card for entry 4333668

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Coordinates	4333668.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H36 B3 Cr F12 N8 O6
Calculated formula	C32 H35.97 B3 Cr F12 N8 O6
Title of publication	Syntheses and Photophysical Investigations of Cr(III) Hexadentate Iminopyridine Complexes and Their Tris(Bidentate) Analogues
Authors of publication	Ashley M. McDaniel; Huan-Wei Tseng; Ethan A. Hill; Niels H. Damrauer; Anthony K. Rappé; Matthew P. Shores
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	1368 - 1378
a	12.8725 ± 0.0002 Å
b	12.8725 ± 0.0002 Å
c	13.6811 ± 0.0004 Å
α	90°
β	90°
γ	120°
Cell volume	1963.26 ± 0.07 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	7
Space group number	173
Hermann-Mauguin space group symbol	P 63
Hall space group symbol	P 6c
Residual factor for all reflections	0.0341
Residual factor for significantly intense reflections	0.0294
Weighted residual factors for significantly intense reflections	0.0783
Weighted residual factors for all reflections included in the refinement	0.0882
Goodness-of-fit parameter for all reflections included in the refinement	1.14
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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