Crystallography Open Database

Information card for entry 4082798

Preview

Coordinates	4082798.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H44 Co F6 P Sn2
Calculated formula	C26 H44 Co F6 P Sn2
SMILES	[Co]123456789[c]%10([cH]4[cH]3[cH]2[cH]1%10)[Sn]([Sn]([c]15[cH]6[cH]7[cH]8[cH]91)(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C.[P](F)(F)(F)(F)(F)[F-]
Title of publication	Tin-Bridgedansa-Metallocenes of the Late Transition Metals Cobalt and Nickel: Preparation, Molecular and Electronic Structures, and Redox Chemistry
Authors of publication	Arnold, Thomas; Braunschweig, Holger; Damme, Alexander; Hörl, Christian; Kramer, Thomas; Krummenacher, Ivo; Mager, Julian
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	7
Pages of publication	1659
a	37.404 ± 0.003 Å
b	17.1777 ± 0.0013 Å
c	9.5402 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	6129.7 ± 0.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0387
Residual factor for significantly intense reflections	0.0318
Weighted residual factors for significantly intense reflections	0.053
Weighted residual factors for all reflections included in the refinement	0.0551
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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
178716 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/27.	4082798.cif
109796	2014-04-17	cif/ Updating files of 4082798 Original log message: Adding full bibliography for 4082798.cif.	4082798.cif
109780	2014-04-17	cif/ (saulius@koala.ibt.lt) Restoring in bulk the COD CIFs that had their bibliographies update recently: svn merge -r109779:109651 . The problem was that: a) the COD deposition pipeline incorrectly folded some text fields; b) it removed last page number from some CIFs that had it before. An attempt to updated bibliographies will be repeated with corrected scripts.	4082798.cif
109661	2014-04-17	cif/ Updating files of 4082798 Original log message: Adding full bibliography for ./tmp-cod-update-bibliographies-28993/cifs/4082798.cif.	4082798.cif
108666	2014-04-02	cif/ Adding structures of 4082797, 4082798, 4082799, 4082800 via cif-deposit CGI script.	4082798.cif