Crystallography Open Database

Information card for entry 7035961

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Coordinates	7035961.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	trans-Carbonylchlorido-[1,1?-bis(5-(phospholano)pentyl)ferrocene-κ2P,P?]-rhodium(I)
Formula	C29 H44 Cl Fe O P2 Rh
Calculated formula	C29 H44 Cl Fe O P2 Rh
SMILES	[c]123[cH]4[cH]5[cH]6[cH]1[Fe]17893456[c]3([cH]9[cH]8[cH]7[cH]13)CCCCC[P]1(CCCC1)[Rh](C#[O])([P]1(CCCCC2)CCCC1)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	10.773 ± 0.005 Å
b	12.183 ± 0.005 Å
c	22.166 ± 0.005 Å
α	90 ± 0.005°
β	97.477 ± 0.005°
γ	90 ± 0.005°
Cell volume	2884.5 ± 1.9 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	7
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	0.0427
Residual factor for significantly intense reflections	0.0315
Weighted residual factors for significantly intense reflections	0.0668
Weighted residual factors for all reflections included in the refinement	0.0714
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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.	7035961.cif
152547	2015-07-25	cif/ Adding structures of 7035957, 7035958, 7035959, 7035960, 7035961, 7035962 via cif-deposit CGI script.	7035961.cif