Crystallography Open Database

Information card for entry 1505025

Preview

Coordinates	1505025.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[p-CymRuCl(anthraimid)2]BPh4
Formula	C27 H26 Cl2 N2 Ru
Calculated formula	C27 H26 Cl2 N2 Ru
SMILES	c1[n]([Ru]23456(Cl)(Cl)[c]7([cH]2[cH]3[c]4([cH]5[cH]67)C)C(C)C)ccn1c1c2ccccc2cc2ccccc12
Title of publication	Development of ruthenium antitumor drugs that overcome multidrug resistance mechanisms.
Authors of publication	Vock, Carsten A.; Ang, Wee Han; Scolaro, Claudine; Phillips, Andrew D.; Lagopoulos, Lucienne; Juillerat-Jeanneret, Lucienne; Sava, Gianni; Scopelliti, Rosario; Dyson, Paul J.
Journal of publication	Journal of medicinal chemistry
Year of publication	2007
Journal volume	50
Journal issue	9
Pages of publication	2166 - 2175
a	14.34 ± 0.002 Å
b	12.4234 ± 0.0015 Å
c	15.156 ± 0.0017 Å
α	90°
β	117.502 ± 0.009°
γ	90°
Cell volume	2394.9 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0915
Residual factor for significantly intense reflections	0.0548
Weighted residual factors for significantly intense reflections	0.123
Weighted residual factors for all reflections included in the refinement	0.1433
Goodness-of-fit parameter for all reflections included in the refinement	1.086
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.	1505025.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1505025.cif
45283	2012-03-20	../uploads/cif-deposit/cod/cif Adding structures of 1505024, 1505025, 1505026 via cif-deposit CGI script.	1505025.cif