Crystallography Open Database

Information card for entry 4333984

Preview

Coordinates	4333984.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H46 Co Si4
Calculated formula	C30 H46 Co Si4
SMILES	[Co]12345678([c]9([Si](C)(C)C)[cH]1[c]2([Si](C)(C)C)[c]13cccc[c]491)[c]1([Si](C)(C)C)[cH]5[c]6([Si](C)(C)C)[c]27[c]81cccc2
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	9.6496 ± 0.0008 Å
b	21.3367 ± 0.0019 Å
c	15.5714 ± 0.0014 Å
α	90°
β	92.024 ± 0.002°
γ	90°
Cell volume	3204 ± 0.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
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	0.0347
Residual factor for significantly intense reflections	0.028
Weighted residual factors for significantly intense reflections	0.0695
Weighted residual factors for all reflections included in the refinement	0.0733
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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.	4333984.cif
99793	2014-02-03	cif/ Adding structures of 4333984 via cif-deposit CGI script.	4333984.cif