Crystallography Open Database

Information card for entry 4333989

Preview

Coordinates	4333989.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H41 N2 Na O Si2
Calculated formula	C29 H41 N2 Na O Si2
SMILES	[Na]12345([n]6ccccc6c6[n]1cccc6)([O](CC)CC)[c]1([c]65[c]4([c]3([Si](C)(C)C)[cH]21)cccc6)[Si](C)(C)C
Title of publication	Synthesis of a Bis(indenyl) Co(I) Anion: A Reactive Source of a 14 Electron Indenyl Co(I) Equivalent
Authors of publication	Fernando Hung-Low; Christopher A. Bradley
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	2446 - 2457
a	10.059 ± 0.003 Å
b	16.956 ± 0.005 Å
c	18.599 ± 0.005 Å
α	97.466 ± 0.004°
β	96.572 ± 0.003°
γ	95.421 ± 0.004°
Cell volume	3105.4 ± 1.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0781
Residual factor for significantly intense reflections	0.0482
Weighted residual factors for significantly intense reflections	0.1123
Weighted residual factors for all reflections included in the refinement	0.127
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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
179442 (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 4/33/39.	4333989.cif
99798	2014-02-03	cif/ Adding structures of 4333989 via cif-deposit CGI script.	4333989.cif