Crystallography Open Database

Information card for entry 7704636

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Coordinates	7704636.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(^H^ap)OsO(pin)
Chemical name	Oxo(pinacolato)(2-(phenylimido)-4,6-di-tert-butylphenoxo)-osmium(VI)
Formula	C26 H37 N O4 Os
Calculated formula	C26 H37 N O4 Os
SMILES	[Os]12(=O)(Oc3c(N2c2ccccc2)cc(cc3C(C)(C)C)C(C)(C)C)OC(C(O1)(C)C)(C)C
Title of publication	High-valent osmium iminoxolene complexes.
Authors of publication	Gianino, Jacqueline; Erickson, Alexander N.; Markovitz, Sean J.; Brown, Seth N.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	25
Pages of publication	8504 - 8515
a	10.1408 ± 0.0004 Å
b	16.5112 ± 0.0006 Å
c	15.0329 ± 0.0005 Å
α	90°
β	96.694 ± 0.001°
γ	90°
Cell volume	2499.9 ± 0.16 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0242
Residual factor for significantly intense reflections	0.0195
Weighted residual factors for significantly intense reflections	0.0422
Weighted residual factors for all reflections included in the refinement	0.0436
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
253897 (current)	2020-07-06	cif/ Updating files of 7704635, 7704636, 7704637, 7704638, 7704639, 7704640 Original log message: Adding full bibliography for 7704635--7704640.cif.	7704636.cif
252970	2020-06-06	cif/ Adding structures of 7704635, 7704636, 7704637, 7704638, 7704639, 7704640 via cif-deposit CGI script.	7704636.cif