Crystallography Open Database

Information card for entry 7008295

Preview

Coordinates	7008295.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H30 Mn O2 P
Calculated formula	C36 H30 Mn O2 P
SMILES	[Mn]12345(C#[O])(C#[O])([C](P(c6ccccc6)c6ccccc6)(C\1=C\c1ccc(cc1)C)c1ccccc1)[c]1([cH]5[cH]4[cH]3[cH]21)C
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	9.625 ± 0.002 Å
b	20.583 ± 0.009 Å
c	14.798 ± 0.003 Å
α	90°
β	95.87 ± 0.03°
γ	90°
Cell volume	2916.3 ± 1.5 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	0.0355
Residual factor for significantly intense reflections	0.0307
Weighted residual factors for significantly intense reflections	0.0801
Weighted residual factors for all reflections included in the refinement	0.0833
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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.	7008295.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7008295.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7008295.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7008295.cif