Crystallography Open Database

Information card for entry 2012311

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Coordinates	2012311.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	μ-Bis(diphenylphosphino)methane-P:P'-octacarbonyldimanganese(Mn-Mn) toluene hemisolvate
Formula	C36.5 H26 Mn2 O8 P2
Calculated formula	C36.5 H24.5 Mn2 O8 P2
SMILES	c1ccc(C)cc1.C(#[O])[Mn]1(C#[O])(C#[O])(C#[O])[P](C[P](c2ccccc2)(c2ccccc2)[Mn]1(C#[O])(C#[O])(C#[O])C#[O])(c1ccccc1)c1ccccc1
Title of publication	μ-Bis(diphenylphosphino)methane-<i>P</i>:<i>P</i>'-octacarbonyldimanganese(<i>Mn</i>‒<i>Mn</i>) and its toluene hemisolvate
Authors of publication	Baxley, Gregory T.; Stiegman, Albert E.; Nieckarz, Gregory F.; Weakley, Timothy J. R.; Tyler, David R.; Gilbertson, John
Journal of publication	Acta Crystallographica Section C
Year of publication	2001
Journal volume	57
Journal issue	11
Pages of publication	1292 - 1294
a	18.286 ± 0.002 Å
b	18.286 ± 0.002 Å
c	41.345 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	13825 ± 3 Å³
Cell temperature	294 K
Ambient diffraction temperature	294 K
Number of distinct elements	5
Space group number	110
Hermann-Mauguin space group symbol	I 41 c d
Hall space group symbol	I 4bw -2c
Residual factor for all reflections	0.065
Residual factor for significantly intense reflections	0.045
Weighted residual factors for all reflections	0.079
Weighted residual factors for all reflections included in the refinement	0.038
Goodness-of-fit parameter for all reflections	1.32
Goodness-of-fit parameter for all reflections included in the refinement	1.31
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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