Crystallography Open Database

Information card for entry 4330521

Preview

Coordinates	4330521.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H26 N2 O7 P2 W
Calculated formula	C34 H26 N2 O7 P2 W
SMILES	C1(N(C(=C(N1C)P(=O)(c1ccccc1)c1ccccc1)P(=O)(c1ccccc1)c1ccccc1)C)=[W](C#[O])(C#[O])(C#[O])(C#[O])C#[O]
Title of publication	Synthesis of Backbone P-Functionalized Imidazol-2-ylidene Complexes: En Route to Novel Functional Ionic Liquids
Authors of publication	Paresh Kumar Majhi; Susanne Sauerbrey; Gregor Schnakenburg; Anthony J. Arduengo; Rainer Streubel
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	10408 - 10416
a	11.2946 ± 0.0007 Å
b	26.3024 ± 0.0012 Å
c	22.2793 ± 0.0009 Å
α	90°
β	97.591 ± 0.003°
γ	90°
Cell volume	6560.6 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.0548
Residual factor for significantly intense reflections	0.0449
Weighted residual factors for significantly intense reflections	0.1291
Weighted residual factors for all reflections included in the refinement	0.1357
Goodness-of-fit parameter for all reflections included in the refinement	1.129
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
179408 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/05.	4330521.cif
79792	2013-04-05	cif/ Adding structures of 4330521 via cif-deposit CGI script.	4330521.cif