Crystallography Open Database

Information card for entry 7240895

Preview

Coordinates	7240895.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H22 Cl2 N5 O2 P Ru
Calculated formula	C17 H22 Cl2 N5 O2 P Ru
SMILES	[Ru]1(Cl)(Cl)(C#[O])([P]23CN4CN(C2)CN(C3)C4)[n]2ccccc2c2[n]1cccc2.O
Title of publication	Investigating the reactivity of neutral water-soluble Ru(ii)‒PTA carbonyls towards the model imine ligands pyridine and 2,2′-bipyridine
Authors of publication	Battistin, Federica; Vidal, Alessio; Balducci, Gabriele; Alessio, Enzo
Journal of publication	RSC Advances
Year of publication	2020
Journal volume	10
Journal issue	45
Pages of publication	26717 - 26727
a	6.799 ± 0.01 Å
b	21.768 ± 0.005 Å
c	13.521 ± 0.003 Å
α	90°
β	94.767 ± 0.019°
γ	90°
Cell volume	1994 ± 3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0279
Residual factor for significantly intense reflections	0.0278
Weighted residual factors for significantly intense reflections	0.0805
Weighted residual factors for all reflections included in the refinement	0.0807
Goodness-of-fit parameter for all reflections included in the refinement	1.007
Diffraction radiation wavelength	0.7 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
258128 (current)	2020-10-06	cif/ Updating files of 7240894, 7240895, 7240896 Original log message: Adding full bibliography for 7240894--7240896.cif.	7240895.cif
254386	2020-07-18	cif/ Adding structures of 7240894, 7240895, 7240896 via cif-deposit CGI script.	7240895.cif