Crystallography Open Database

Information card for entry 7026811

Preview

Coordinates	7026811.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	joerg142 H.Helten ''HHE-DR05'' 100K 13.02.08
Formula	C26 H34 Fe N3 O5 P Si2 W
Calculated formula	C26 H34 Fe N3 O5 P Si2 W
SMILES	[W]([P]1(N=C(N=C1[c]12[cH]3[Fe]4567891([cH]3[cH]4[cH]25)[cH]1[cH]6[cH]7[cH]8[cH]91)N(C)C)C([Si](C)(C)C)[Si](C)(C)C)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
Title of publication	Developing click reactions of a 3-ferrocenyl-2H-azaphosphirene complex.
Authors of publication	Streubel, Rainer; Pérez, Janaina Marinas; Helten, Holger; Daniels, Jörg; Nieger, Martin
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	47
Pages of publication	11445 - 11450
a	16.0145 ± 0.0005 Å
b	12.3033 ± 0.0004 Å
c	16.1955 ± 0.0003 Å
α	90°
β	103.387 ± 0.002°
γ	90°
Cell volume	3104.31 ± 0.15 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	8
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	0.0317
Residual factor for significantly intense reflections	0.0257
Weighted residual factors for significantly intense reflections	0.0594
Weighted residual factors for all reflections included in the refinement	0.0613
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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
179974 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/68.	7026811.cif
93606	2014-01-13	cif/ Adding structures of 7026809, 7026810, 7026811 via cif-deposit CGI script.	7026811.cif