Crystallography Open Database

Information card for entry 7704635

Preview

Coordinates	7704635.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(^H^ap)2Os(OCH2CH2O) . 0.5 C6H14
Chemical name	Bis(2-phenylimido-4,6-di-tert-butylphenoxo)ethyleneglycolato-osmium(VI) hemi-hexane solvate
Formula	C45 H61 N2 O4 Os
Calculated formula	C45 H61 N2 O4 Os
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	12.2153 ± 0.0006 Å
b	13.1499 ± 0.0007 Å
c	13.2104 ± 0.0007 Å
α	103.123 ± 0.0017°
β	91.7443 ± 0.0016°
γ	97.8182 ± 0.0017°
Cell volume	2043.22 ± 0.18 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 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	0.0438
Residual factor for significantly intense reflections	0.0357
Weighted residual factors for significantly intense reflections	0.0672
Weighted residual factors for all reflections included in the refinement	0.0692
Goodness-of-fit parameter for all reflections included in the refinement	1.121
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	7704635.cif
252970	2020-06-06	cif/ Adding structures of 7704635, 7704636, 7704637, 7704638, 7704639, 7704640 via cif-deposit CGI script.	7704635.cif