Crystallography Open Database

Information card for entry 4506797

Preview

Coordinates	4506797.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H91 Co2 N11 O31
Calculated formula	C51 H18 Co2 N11 O31
Title of publication	Solvothermal Synthesis of Oxamate-Based Helicate: Temperature Dependence of the Hydrogen Bond Structuring in the Solid
Authors of publication	Lisnard, Laurent; Chamoreau, Lise-Marie; Li, Yanling; Journaux, Yves
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	10
Pages of publication	4955
a	17.527 ± 0.002 Å
b	17.527 ± 0.002 Å
c	46.452 ± 0.007 Å
α	90°
β	90°
γ	120°
Cell volume	12358 ± 3 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
Space group number	167
Hermann-Mauguin space group symbol	R -3 c :H
Hall space group symbol	-R 3 2"c
Residual factor for all reflections	0.1257
Residual factor for significantly intense reflections	0.0849
Weighted residual factors for significantly intense reflections	0.2619
Weighted residual factors for all reflections included in the refinement	0.2981
Goodness-of-fit parameter for all reflections included in the refinement	1.135
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179603 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/67.	4506797.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4506797.cif
71822	2013-01-21	cif/ Adding structures of 4506797 via cif-deposit CGI script.	4506797.cif