Crystallography Open Database

Information card for entry 4308183

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Original paper (by DOI)	HTML

Structure parameters

Chemical name	Bis(phenyltris(1-methyl-imidazol-2-ylidene)borato)maganese(iv) triflate
Formula	C8.44 H8.89 B0.44 F1.33 Mn0.22 N2.67 O1.33 S0.44
Calculated formula	C8.44444 H8.88889 B0.444444 F1.33333 Mn0.222222 N2.66667 O1.33333 S0.444444
Title of publication	Oxidation of the Tris(carbene)borate Complex PhB(MeIm)3MnI(CO)3 to MnIV[PhB(MeIm)3]2(OTf)2
Authors of publication	Adam P. Forshaw; Ranko P. Bontchev; Jeremy M. Smith
Journal of publication	Inorganic Chemistry
Year of publication	2007
Journal volume	46
Pages of publication	3792 - 3794
a	12.8947 ± 0.0005 Å
b	13.5128 ± 0.0005 Å
c	13.9914 ± 0.0005 Å
α	90°
β	90 ± 0.004°
γ	64.28 ± 0.002°
Cell volume	2196.38 ± 0.15 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 1 21/b
Hall space group symbol	-P 2bc
Residual factor for all reflections	0.0438
Residual factor for significantly intense reflections	0.0404
Weighted residual factors for significantly intense reflections	0.1132
Weighted residual factors for all reflections included in the refinement	0.1232
Goodness-of-fit parameter for all reflections included in the refinement	1.092
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	mokα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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