Crystallography Open Database

Information card for entry 1540671

Preview

Coordinates	1540671.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H27 Fe2 O5 P W
Calculated formula	C29 H27 Fe2 O5 P W
SMILES	[W]([P](CC[c]12[Fe]3456789([cH]%10[cH]3[cH]4[cH]5[cH]6%10)[cH]1[cH]7[cH]8[cH]29)CC[c]12[Fe]3456789([cH]%10[cH]6[cH]5[cH]4[cH]3%10)[cH]1[cH]7[cH]8[cH]29)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
Title of publication	Group 6 metal pentacarbonyl complexes of air-stable primary, secondary, and tertiary ferrocenylethylphosphines.
Authors of publication	Rabiee Kenaree, Amir; Sauvé, Ethan R; Ragogna, Paul J.; Gilroy, Joe B.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	7
Pages of publication	2859 - 2867
a	17.504 ± 0.002 Å
b	12.9315 ± 0.0014 Å
c	12.708 ± 0.002 Å
α	90°
β	109.26 ± 0.005°
γ	90°
Cell volume	2715.5 ± 0.6 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0684
Residual factor for significantly intense reflections	0.0412
Weighted residual factors for significantly intense reflections	0.0971
Weighted residual factors for all reflections included in the refinement	0.1115
Goodness-of-fit parameter for all reflections included in the refinement	1.019
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
177772 (current)	2016-03-05	cif/ Updating files of 1540668, 1540669, 1540670, 1540671, 1540672 Original log message: Adding full bibliography for 1540668--1540672.cif.	1540671.cif
171387	2015-12-10	cif/ Adding structures of 1540668, 1540669, 1540670, 1540671, 1540672 via cif-deposit CGI script.	1540671.cif