Crystallography Open Database

Information card for entry 4110194

Preview

Coordinates	4110194.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H44 Mn3 N2 O14
Calculated formula	C28 H35 Mn3 N2 O14
Title of publication	Manganese and Magnesium Homochiral Materials: Decoration of Honeycomb Channels with Homochiral Chains
Authors of publication	Jian Zhang; Shumei Chen; Henry Valle; Matthew Wong; Cristina Austria; Maria Cruz; Xianhui Bu
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	14168 - 14169
a	8.8724 ± 0.0003 Å
b	13.7075 ± 0.0005 Å
c	14.4409 ± 0.0006 Å
α	90°
β	97.746 ± 0.002°
γ	90°
Cell volume	1740.25 ± 0.11 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0726
Residual factor for significantly intense reflections	0.0646
Weighted residual factors for significantly intense reflections	0.1722
Weighted residual factors for all reflections included in the refinement	0.1858
Goodness-of-fit parameter for all reflections included in the refinement	0.991
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
178872 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/01.	4110194.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4110194.cif
59221	2012-06-05	cif/4/ Setting up the svn:keywords property on the recently moved CIFs, so that the file checked out under English locales do not contain high-bit-set characters.	4110194.cif
59116	2012-06-03	smi/7 Adding SMILES for metal carbonyls. cif/4 Moving files wrongly appearing as 4/4xxyyzz.cif as 4/xx/yy/4xxyyzz.cif	4110194.cif