Crystallography Open Database

Information card for entry 7035958

Preview

Coordinates	7035958.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	cis-Dichlorido-[1,1?-Bis(5-(phospholano)pentyl)ferrocene-κ2P,P?]-platinum(II)
Formula	C28 H44 Cl2 Fe P2 Pt
Calculated formula	C28 H44 Cl2 Fe P2 Pt
SMILES	C1CCCC[P]2(CCCC2)[Pt]([P]2(CCCCC[c]34[cH]5[cH]6[cH]7[cH]3[Fe]389%104567[c]41[cH]3[cH]8[cH]9[cH]%104)CCCC2)(Cl)Cl
Title of publication	Heterobimetallic complexes with highly flexible 1,1'-bis(phospholanoalkyl)ferrocene ligands.
Authors of publication	Schmied, Andy; Straube, Axel; Grell, Toni; Jähnigen, Sascha; Hey-Hawkins, Evamarie
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	43
Pages of publication	18760 - 18768
a	19.869 ± 0.005 Å
b	7.774 ± 0.005 Å
c	20.216 ± 0.005 Å
α	90 ± 0.005°
β	112.348 ± 0.005°
γ	90 ± 0.005°
Cell volume	2888 ± 2 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 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	0.0795
Residual factor for significantly intense reflections	0.052
Weighted residual factors for significantly intense reflections	0.0931
Weighted residual factors for all reflections included in the refinement	0.1027
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation probe	x-ray
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
171232 (current)	2015-12-09	cif/ Updating files of 7035957, 7035958, 7035959, 7035960, 7035961, 7035962 Original log message: Adding full bibliography for 7035957--7035962.cif.	7035958.cif
152547	2015-07-25	cif/ Adding structures of 7035957, 7035958, 7035959, 7035960, 7035961, 7035962 via cif-deposit CGI script.	7035958.cif