Crystallography Open Database

Information card for entry 4303186

Preview

Coordinates	4303186.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H108 Mn2 N8 Na2
Calculated formula	C54 H108 Mn2 N8 Na2
SMILES	c1(ccc(cc1)[Mn](N1C(C)(C)CCCC1(C)C)[N]1([Na]2[N](C)(C)CC[N]2(C)C)C(C)(C)CCCC1(C)C)[Mn]([N]1(C(C)(C)CCCC1(C)C)[Na]1[N](C)(C)CC[N]1(C)C)N1C(C)(C)CCCC1(C)C
Title of publication	Alkali-Metal-Mediated Manganation(II) of Naphthalenes: Constructing Metalla-Anthracene and Metalla-Phenanthrene Structures
Authors of publication	Victoria L. Blair; William Clegg; Robert E. Mulvey; Luca Russo
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	8863 - 8870
a	8.333 ± 0.003 Å
b	22.027 ± 0.007 Å
c	16.32 ± 0.005 Å
α	90°
β	91.466 ± 0.005°
γ	90°
Cell volume	2994.6 ± 1.7 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0799
Residual factor for significantly intense reflections	0.077
Weighted residual factors for significantly intense reflections	0.1575
Weighted residual factors for all reflections included in the refinement	0.1584
Goodness-of-fit parameter for all reflections included in the refinement	1.518
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
179069 (current)	2016-03-22	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/31.	4303186.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4303186.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4303186.cif
1125	2010-04-25	cif/4/ Adding CIFs for the Inorg-Chem-2009_11-24 deposition.	4303186.cif