Crystallography Open Database

Information card for entry 7017737

Preview

Coordinates	7017737.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H9 Cr F2 N O5 Si
Calculated formula	C13 H9 Cr F2 N O5 Si
SMILES	[Cr](C#[O])(C#[O])(C#[O])(C#[O])(C#[O])C#[N]C(=C(\C#C[Si](C)(C)C)F)\F
Title of publication	Syntheses of highly unsaturated isocyanides via organometallic pathways.
Authors of publication	Mujkic, Monika; Lentz, Dieter
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	3
Pages of publication	839 - 849
a	6.1314 ± 0.0018 Å
b	11.701 ± 0.002 Å
c	23.613 ± 0.006 Å
α	90°
β	93.923 ± 0.005°
γ	90°
Cell volume	1690.1 ± 0.7 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
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	0.07
Residual factor for significantly intense reflections	0.0463
Weighted residual factors for significantly intense reflections	0.1094
Weighted residual factors for all reflections included in the refinement	0.1219
Goodness-of-fit parameter for all reflections included in the refinement	1.054
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
179881 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/77.	7017737.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7017737.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7017737.cif
33404	2012-02-12	../uploads/cif-deposit/cod/cif Adding structures of 7017735, 7017736, 7017737, 7017738, 7017739 via cif-deposit CGI script.	7017737.cif