Crystallography Open Database

Information card for entry 4328857

Preview

Coordinates	4328857.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H29 Cl N4 O6 Ru
Calculated formula	C39 H29 Cl N4 O6 Ru
Title of publication	9-Oxidophenalenone: A Noninnocent β-Diketonate Ligand?
Authors of publication	Amit Das; Thomas Michael Scherer; Shaikh M. Mobin; Wolfgang Kaim; Goutam Kumar Lahiri
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	4390 - 4397
a	11.7451 ± 0.0004 Å
b	12.5229 ± 0.0004 Å
c	13.5292 ± 0.0004 Å
α	111.013 ± 0.003°
β	97.52 ± 0.002°
γ	112.2 ± 0.003°
Cell volume	1636.17 ± 0.12 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	120 ± 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	0.0371
Residual factor for significantly intense reflections	0.0336
Weighted residual factors for significantly intense reflections	0.09
Weighted residual factors for all reflections included in the refinement	0.0916
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4328857.html