Crystallography Open Database

Information card for entry 2012329

2012328 << 2012329 >> 2012330

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Coordinates	2012329.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	[2-carbonyl-2,2-bis(triphenylphosphine)-nido-2-osmahexaborane(9)]
Formula	C37 H39 B5 O Os P2
Calculated formula	C37 H38 B5 O Os P2
SMILES	[Os]123(C#[O])([H][BH]452[BH]261[BH]4([BH]12[BH]36[H]1)[H]5)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	The <i>nido</i>‒osmaboranes [2,2,2-(CO)(PPh~3~)~2~-<i>nido</i>-2-OsB~5~H~9~] and [6,6,6-(CO)(PPh~3~)~2~-<i>nido</i>-6-OsB~9~H~13~]
Authors of publication	Bould, Jonathan; Kennedy, John D.; Thomas, Rhodri Ll.; Rath, Nigam P.; Barton, Lawrence
Journal of publication	Acta Crystallographica Section C
Year of publication	2001
Journal volume	57
Journal issue	11
Pages of publication	1245 - 1247
a	16.0054 ± 0.0001 Å
b	13.02 ± 0.0001 Å
c	17.2445 ± 0.0001 Å
α	90°
β	105.29 ± 0.01°
γ	90°
Cell volume	3466.39 ± 0.17 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	6
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.028
Residual factor for significantly intense reflections	0.026
Weighted residual factors for all reflections included in the refinement	0.059
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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