Crystallography Open Database

Information card for entry 4310722

Preview

Coordinates	4310722.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H42 Co11 N5 O22
Calculated formula	C36 H42 Co11 N5 O22
SMILES	[Co]123456789([Co]%10%11%12%13%14%15([Co]%16%17%18%191([Co]1%20%21%222([Co]2%23%243%10([Co]3%10%257([Co]7%264%11([Co]%1223([N]9%13%23%107)(C#[O])(C%26=O)C%25=O)(C#[O])C%15=O)(C#[O])C%24=O)(C#[O])C%21=O)([Co]2346([Co]675%16([Co]%1712([N]8%18%2036)(C#[O])(C7=O)C4=O)(C#[O])C%19=O)(C#[O])C%22=O)C#[O])(C#[O])C%14=O)C#[O])C#[O].[N+](C)(C)(C)C.[N+](C)(C)(C)C.[N+](C)(C)(C)C.O=C(C)C
Title of publication	Electron Transfer and CO Addition to Polynitrido Cobalt Carbonyl Clusters: Parallel Pathways for Conversion of the [Co10N2(CO)19]4- Anion to the Novel [Co11N2(CO)21]3- Anion
Authors of publication	Alessandro Fumagalli; Paola Ulivieri; Michela Costa; Ornella Crispu; Roberto Della Pergola; Fabrizia Fabrizi de Biani; Franco Laschi; Piero Zanello; Piero Macchi; Angelo Sironi
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	2125 - 2131
a	11.413 ± 0.005 Å
b	21.241 ± 0.005 Å
c	23.044 ± 0.005 Å
α	90°
β	100.773 ± 0.005°
γ	90°
Cell volume	5488 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.1242
Residual factor for significantly intense reflections	0.0628
Weighted residual factors for significantly intense reflections	0.1332
Weighted residual factors for all reflections included in the refinement	0.1532
Goodness-of-fit parameter for all reflections included in the refinement	1.007
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
198640 (current)	2017-07-11	cif/4/ (antanas@echidna.ibt.lt) Marking attached hydrogen atoms in entries 4124446, 4310722, 4310723.	4310722.cif
179146	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/07.	4310722.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4310722.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4310722.cif
2211	2010-11-09	../uploads/cif-deposit/cod/cif Adding structures of 4310722 via cif-deposit CGI script.	4310722.cif