Crystallography Open Database

Information card for entry 7037123

Preview

Coordinates	7037123.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H11 Fe O5 P W
Calculated formula	C15 H11 Fe O5 P W
SMILES	[W]([PH2][c]12[Fe]3456789([cH]1[cH]3[cH]4[cH]25)[cH]1[cH]9[cH]8[cH]7[cH]61)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
Title of publication	Hydrophosphination reactions with transition metal ferrocenylphosphine complexes.
Authors of publication	Pritzwald-Stegmann, Julian Rodger Frederic; Lönnecke, Peter; Hey-Hawkins, Evamarie
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	5
Pages of publication	2208 - 2217
a	12.0167 ± 0.0001 Å
b	12.9896 ± 0.0001 Å
c	20.833 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	3251.87 ± 0.05 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 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	0.039
Residual factor for significantly intense reflections	0.032
Weighted residual factors for significantly intense reflections	0.0606
Weighted residual factors for all reflections included in the refinement	0.0629
Goodness-of-fit parameter for all reflections included in the refinement	1.235
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
176060 (current)	2016-02-05	cif/ Updating files of 7037122, 7037123, 7037124, 7037125, 7037126, 7037127, 7037128, 7037129 Original log message: Adding full bibliography for 7037122--7037129.cif.	7037123.cif
170233	2015-11-12	cif/ Adding structures of 7037122, 7037123, 7037124, 7037125, 7037126, 7037127, 7037128, 7037129 via cif-deposit CGI script.	7037123.cif