Crystallography Open Database

Information card for entry 2020212

2020211 << 2020212 >> 2020213

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Structure parameters

Chemical name	<i>fac</i>-Tricarbonyldichlorido(4,5-diazafluoren-9-one-κ<i>N</i>)ruthenium(II)
Formula	C14 H6 Cl2 N2 O4 Ru
Calculated formula	C14 H6 Cl2 N2 O4 Ru
SMILES	[Ru](Cl)(Cl)([n]1c2c3ncccc3C(=O)c2ccc1)(C#[O])(C#[O])C#[O]
Title of publication	Synthesis and structures of ruthenium di- and tricarbonyl complexes derived from 4,5-diazafluoren-9-one
Authors of publication	Jimenez, Jorge; Chakraborty, Indranil; Mascharak, Pradip
Journal of publication	Acta Crystallographica Section C
Year of publication	2015
Journal volume	71
Journal issue	11
a	7.458 ± 0.002 Å
b	9.701 ± 0.002 Å
c	11.594 ± 0.009 Å
α	90.43 ± 0.03°
β	108.6 ± 0.04°
γ	98.41 ± 0.02°
Cell volume	785.2 ± 0.7 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	0.0562
Residual factor for significantly intense reflections	0.0372
Weighted residual factors for significantly intense reflections	0.0552
Weighted residual factors for all reflections included in the refinement	0.0596
Goodness-of-fit parameter for all reflections included in the refinement	1.127
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181872 (current)	2016-04-06	hkl/2/02/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/02/02	2020212.cif 2020212.hkl
167923	2015-10-14	cif/ hkl/ Adding structures of 2020211, 2020212 via cif-deposit CGI script.	2020212.cif 2020212.hkl