Crystallography Open Database

Information card for entry 4116722

Preview

Coordinates	4116722.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	TpNPhHCl2
Formula	C15 H16 B Cl2 N7 Os
Calculated formula	C15 H16 B Cl2 N7 Os
SMILES	c1ccn2[BH]3n4ccc[n]4[Os]([n]12)([n]1cccn31)(Nc1ccccc1)(Cl)Cl
Title of publication	Direct Attack of Phenyl Anion at an Electrophilic Osmium-Nitrido Ligand
Authors of publication	Thomas J. Crevier; James M. Mayer
Journal of publication	Journal of the American Chemical Society
Year of publication	1998
Journal volume	120
Pages of publication	5595 - 5596
a	9.2477 ± 0.0001 Å
b	11.9368 ± 0.0002 Å
c	18.2652 ± 0.0003 Å
α	88.336 ± 0.001°
β	88.147 ± 0.001°
γ	71.989 ± 0.001°
Cell volume	1916.07 ± 0.05 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0493
Residual factor for significantly intense reflections	0.046
Weighted residual factors for significantly intense reflections	0.1212
Weighted residual factors for all reflections included in the refinement	0.1287
Goodness-of-fit parameter for all reflections included in the refinement	0.905
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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