Crystallography Open Database

Information card for entry 1558619

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Structure parameters

Common name	Os3(CO)8(PTA)4
Chemical name	1,1,2,2,2,3,3,3-Octacarbonyl-1,1,2,3-tetrakis(1,3,5-triaza-7-phosphatricyclo[3.3.1.1^3,7^]decane-κ<i>P</i>)-<i>triangulo</i>-triosmium(0)
Formula	C32 H48 N12 O8 Os3 P4
Calculated formula	C32 H48 N12 O8 Os3 P4
Title of publication	1,1,2,2,2,3,3,3-Octacarbonyl-1,1,2,3-tetrakis(1,3,5-triaza-7-phosphatricyclo[3.3.1.1^3,7^]decane-κ<i>P</i>)-<i>triangulo</i>-triosmium(0)
Authors of publication	Marolf, David M.; Brehm, Kristen L.; Lynch, Vincent M.; Powell, Gregory L.
Journal of publication	IUCrData
Year of publication	2020
Journal volume	5
Journal issue	7
Pages of publication	x200935
a	18.75 ± 0.0002 Å
b	15.8889 ± 0.0002 Å
c	27.5984 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	8222.03 ± 0.16 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.039
Residual factor for significantly intense reflections	0.0321
Weighted residual factors for significantly intense reflections	0.0743
Weighted residual factors for all reflections included in the refinement	0.0761
Goodness-of-fit parameter for all reflections included in the refinement	1.141
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

Version history

Revision	Date	Message	Files
254397 (current)	2020-07-18	cif/ hkl/ Adding structures of 1558619 via cif-deposit CGI script.	1558619.cif 1558619.hkl