Crystallography Open Database

Information card for entry 4060316

Preview

Coordinates	4060316.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H28 Cl8 N3 Os P
Calculated formula	C18 H28 Cl8 N3 Os P
SMILES	[Os]12345(Cl)(Cl)([P]67CN8CN(C6)CN(C7)C8)[c]6([cH]5[cH]4[c]3([cH]2[cH]16)C(C)C)C.ClC(Cl)Cl.ClC(Cl)Cl
Title of publication	Binding of Organometallic Ruthenium(II) and Osmium(II) Complexes to an Oligonucleotide: A Combined Mass Spectrometric and Theoretical Study
Authors of publication	Dorcier, Antoine; Dyson, Paul J.; Gossens, Christian; Rothlisberger, Ursula; Scopelliti, Rosario; Tavernelli, Ivano
Journal of publication	Organometallics
Year of publication	2005
Journal volume	24
Journal issue	9
Pages of publication	2114 - 2123
a	10.579 ± 0.002 Å
b	12.7402 ± 0.0009 Å
c	20.977 ± 0.004 Å
α	90°
β	101.171 ± 0.016°
γ	90°
Cell volume	2773.7 ± 0.8 Å³
Cell temperature	140 ± 2 K
Ambient diffraction temperature	140 ± 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	0.046
Residual factor for significantly intense reflections	0.0426
Weighted residual factors for significantly intense reflections	0.1106
Weighted residual factors for all reflections included in the refinement	0.1139
Goodness-of-fit parameter for all reflections included in the refinement	1.128
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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