Crystallography Open Database

Information card for entry 4502730

Preview

Coordinates	4502730.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H4 B F4 Mn N2 O3
Calculated formula	C8 H4 Mn N2 O3
SMILES	C([Mn]1234(C#[O])([CH]5=[CH]2[C]4(=N#N)[CH]3=[CH]15)C#[O])#[O]
Title of publication	Organometallic electrodes: modification of electrode surfaces through cathodic reduction of cyclopentadienyldiazonium complexes of cobalt and manganese.
Authors of publication	Laws, Derek R.; Sheats, John; Rheingold, Arnold L.; Geiger, William E.
Journal of publication	Langmuir : the ACS journal of surfaces and colloids
Year of publication	2010
Journal volume	26
Journal issue	18
Pages of publication	15010 - 15021
a	12.0967 ± 0.001 Å
b	7.3951 ± 0.0006 Å
c	12.8488 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	1149.41 ± 0.16 Å³
Cell temperature	208 ± 2 K
Ambient diffraction temperature	208 ± 2 K
Number of distinct elements	7
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0331
Residual factor for significantly intense reflections	0.0304
Weighted residual factors for significantly intense reflections	0.0867
Weighted residual factors for all reflections included in the refinement	0.0889
Goodness-of-fit parameter for all reflections included in the refinement	1.089
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
179558 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/27.	4502730.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4502730.cif
36729	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 4502730 via cif-deposit CGI script.	4502730.cif