Crystallography Open Database

Information card for entry 4350548

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Coordinates	4350548.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C82 H72 F6 Fe2 Ni P5
Calculated formula	C82 H56 F6 Fe2 Ni P5
SMILES	[Ni]12([P]([c]34[cH]5[Fe]6789%10%113([cH]4[cH]6[cH]57)[c]3([cH]8[cH]9[cH]%10[cH]%113)[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[P]([c]13[Fe]456789%10([cH]1[cH]4[cH]5[cH]36)[c]1([P]2(c2ccccc2)c2ccccc2)[cH]7[cH]8[cH]9[cH]%101)(c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-].c1(ccccc1)C.c1(ccccc1)C
Title of publication	Homoleptic complexes of cobalt(0) and nickel(0,I) with 1,1'-bis(diphenylphosphino)ferrocene (dppf): synthesis and characterization.
Authors of publication	Pilloni, Giuseppe; Toffoletti, Antonio; Bandoli, Giuliano; Longato, Bruno
Journal of publication	Inorganic chemistry
Year of publication	2006
Journal volume	45
Journal issue	25
Pages of publication	10321 - 10328
a	24.21 ± 0.004 Å
b	21.279 ± 0.005 Å
c	27.345 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	14087 ± 5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1395
Residual factor for significantly intense reflections	0.0787
Weighted residual factors for significantly intense reflections	0.1454
Weighted residual factors for all reflections included in the refinement	0.1868
Goodness-of-fit parameter for all reflections included in the refinement	1.135
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
239938 (current)	2019-11-25	cif/ Adding structures of 4350548 via cif-deposit CGI script.	4350548.cif