Crystallography Open Database

Information card for entry 4506796

Preview

Coordinates	4506796.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H50 Co2 N8 O18
Calculated formula	C42 H50 Co2 N8 O18
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	10.3375 ± 0.0006 Å
b	15.2574 ± 0.0015 Å
c	15.087 ± 0.0015 Å
α	90°
β	91.745 ± 0.007°
γ	90°
Cell volume	2378.5 ± 0.4 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 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	0.0711
Residual factor for significantly intense reflections	0.0422
Weighted residual factors for significantly intense reflections	0.0868
Weighted residual factors for all reflections included in the refinement	0.0955
Goodness-of-fit parameter for all reflections included in the refinement	1
Diffraction radiation probe	x-ray
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.	4506796.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4506796.cif
71821	2013-01-21	cif/ Adding structures of 4506796 via cif-deposit CGI script.	4506796.cif