Crystallography Open Database

Information card for entry 1515694

Preview

Coordinates	1515694.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H15 N O Ru
Calculated formula	C19 H15 N O Ru
SMILES	C1(=O)C(=C\[c]23[cH]4[cH]5[cH]6[cH]2[Ru]27893456[cH]3[cH]2[cH]7[cH]8[cH]93)/c2ccccc2N1
Title of publication	Synthesis and evaluation of metallocene containing methylidene-1,3-dihydro-2H-indol-2-ones as kinase inhibitors.
Authors of publication	Spencer, John; Amin, Jahangir; Callear, Samantha K.; Tizzard, Graham J.; Coles, Simon J.; Coxhead, Peter; Guille, Matthew
Journal of publication	Metallomics : integrated biometal science
Year of publication	2011
Journal volume	3
Journal issue	6
Pages of publication	600 - 608
a	22.508 ± 0.003 Å
b	5.9232 ± 0.0007 Å
c	22.328 ± 0.003 Å
α	90°
β	101.252 ± 0.005°
γ	90°
Cell volume	2919.5 ± 0.7 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
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	0.1236
Residual factor for significantly intense reflections	0.0833
Weighted residual factors for significantly intense reflections	0.1927
Weighted residual factors for all reflections included in the refinement	0.2236
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1515694.cif
111978	2014-04-28	cif/ Adding structures of 1515694, 1515695, 1515696, 1515697 via cif-deposit CGI script.	1515694.cif