Crystallography Open Database

Information card for entry 7008293

Preview

Coordinates	7008293.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H34 B Mn O2
Calculated formula	C40 H34 B Mn O2
SMILES	C(#[O])[Mn]1234(C#[O])(#Cc5ccc(cc5)C)[c]5([cH]1[cH]2[cH]3[cH]45)C.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Subtle reactivity patterns of non-heteroatom-substituted manganese alkynyl carbene complexes in the presence of phosphorus probes.
Authors of publication	Ortin, Yannick; Lugan, Noêl; Mathieu, René
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2005
Journal issue	9
Pages of publication	1620 - 1636
a	8.9056 ± 0.0007 Å
b	27.574 ± 0.002 Å
c	13.2761 ± 0.0011 Å
α	90°
β	100.188 ± 0.01°
γ	90°
Cell volume	3208.7 ± 0.4 Å³
Cell temperature	160 ± 2 K
Ambient diffraction temperature	160 ± 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	0.0732
Residual factor for significantly intense reflections	0.0471
Weighted residual factors for significantly intense reflections	0.1167
Weighted residual factors for all reflections included in the refinement	0.1298
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
179786 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/82.	7008293.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7008293.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7008293.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7008293.cif