Crystallography Open Database

Information card for entry 7202856

7202855 << 7202856 >> 7202857

Preview

Coordinates	7202856.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H72 N Nd7 O61
Calculated formula	C42 H40 N Nd7 O60
Title of publication	Neodymium(iii) d(?)-citramalate: a chiral three-dimensional framework with water-filled channels
Authors of publication	Pierre Thuéry
Journal of publication	CrystEngComm
Year of publication	2007
Journal volume	9
Journal issue	6
Pages of publication	460
a	12.7819 ± 0.0006 Å
b	12.7819 ± 0.0006 Å
c	85.294 ± 0.004 Å
α	90°
β	90°
γ	120°
Cell volume	12068.1 ± 1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	178
Hermann-Mauguin space group symbol	P 61 2 2
Hall space group symbol	P 61 2 (0 0 5)
Residual factor for all reflections	0.081
Residual factor for significantly intense reflections	0.0516
Weighted residual factors for significantly intense reflections	0.1146
Weighted residual factors for all reflections included in the refinement	0.1266
Goodness-of-fit parameter for all reflections included in the refinement	0.993
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
180359 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/28.	7202856.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7202856.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7202856.cif
1188	2010-06-06	cif/{1,7}/ Adding CIFs from Miguel-Quiros-2010_05, New-J-Chem-2007, Org-Biomol-Chem-2007 and RSC-2007 data extraction directories.	7202856.cif