Crystallography Open Database

Information card for entry 4131758

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Coordinates	4131758.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H54 Os P3 Si
Calculated formula	C36 H54 Os P3 Si
SMILES	[Os]123[P](C(C)C)(c4c([Si]3(c3ccccc3[P]2(C(C)C)C(C)C)c2c([P]1(C(C)C)C(C)C)cccc2)cccc4)C(C)C
Title of publication	Catalytic Nitrogen-to-Ammonia Conversion by Osmium and Ruthenium Complexes.
Authors of publication	Fajardo, Jr, Javier; Peters, Jonas C.
Journal of publication	Journal of the American Chemical Society
Year of publication	2017
Journal volume	139
Journal issue	45
Pages of publication	16105 - 16108
a	11.1667 ± 0.0018 Å
b	11.2875 ± 0.0018 Å
c	16.677 ± 0.003 Å
α	100.081 ± 0.006°
β	94.097 ± 0.006°
γ	118.576 ± 0.005°
Cell volume	1788 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100.06 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0247
Residual factor for significantly intense reflections	0.0205
Weighted residual factors for significantly intense reflections	0.0483
Weighted residual factors for all reflections included in the refinement	0.0499
Goodness-of-fit parameter for all reflections included in the refinement	1.068
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
241926 (current)	2019-11-25	cif/ Adding structures of 4131758 via cif-deposit CGI script.	4131758.cif