Crystallography Open Database

Information card for entry 2020211

2020210 << 2020211 >> 2020212

Preview

Coordinates	2020211.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	<i>trans</i>-Dicarbonyldichlorido(4,5-diazafluoren-9-one-κ^2^<i>N</i>,<i>N</i>')ruthenium(II)
Formula	C13 H6 Cl2 N2 O3 Ru
Calculated formula	C13 H6 Cl2 N2 O3 Ru
SMILES	[Ru]1(Cl)(Cl)([n]2cccc3c2c2[n]1cccc2C3=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	6.5589 ± 0.0002 Å
b	16.9199 ± 0.0006 Å
c	12.7585 ± 0.0005 Å
α	90°
β	100.69°
γ	90°
Cell volume	1391.31 ± 0.08 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
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	0.0314
Residual factor for significantly intense reflections	0.029
Weighted residual factors for significantly intense reflections	0.074
Weighted residual factors for all reflections included in the refinement	0.0758
Goodness-of-fit parameter for all reflections included in the refinement	1.013
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
167923 (current)	2015-10-14	cif/ hkl/ Adding structures of 2020211, 2020212 via cif-deposit CGI script.	2020211.cif