Crystallography Open Database

Information card for entry 7041688

Preview

Coordinates	7041688.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H38 Fe N2 O P2 Pt
Calculated formula	C45 H38 Fe N2 O P2 Pt
SMILES	[Pt]1([P]([c]23[Fe]456789%10([cH]%11[cH]9[cH]7[c]5([P]1(c1ccccc1)c1ccccc1)[cH]4%11)[cH]2[cH]8[cH]6[cH]3%10)(c1ccccc1)c1ccccc1)(c1c(n(=O)ccc1)c1ncccc1)C
Title of publication	Cyclometalated platinum(ii) complexes of 2,2'-bipyridine N-oxide containing a 1,1'-bis(diphenylphosphino)ferrocene ligand: structural, computational and electrochemical studies.
Authors of publication	Shahsavari, Hamid R.; Fereidoonnezhad, Masood; Niazi, Maryam; Mosavi, S. Talaat; Habib Kazemi, Sayed; Kia, Reza; Shirkhan, Shima; Abdollahi Aghdam, Siamak; Raithby, Paul R.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2017
Journal volume	46
Journal issue	6
Pages of publication	2013 - 2022
a	10.497 ± 0.0001 Å
b	11.748 ± 0.0001 Å
c	30.043 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	3704.87 ± 0.07 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0727
Residual factor for significantly intense reflections	0.0466
Weighted residual factors for significantly intense reflections	0.0927
Weighted residual factors for all reflections included in the refinement	0.1033
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
193802 (current)	2017-03-05	cif/ Updating files of 7041688 Original log message: Adding full bibliography for 7041688.cif.	7041688.cif
190506	2017-01-14	cif/ Adding structures of 7041688 via cif-deposit CGI script.	7041688.cif