Crystallography Open Database

Information card for entry 4503634

Preview

Coordinates	4503634.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H11 Mg N O6
Calculated formula	C5 H3 Mg N0.99 O6
Title of publication	Phase Transitions and CO2Adsorption Properties of Polymeric Magnesium Formate
Authors of publication	Rossin, Andrea; Ienco, Andrea; Costantino, Ferdinando; Montini, Tiziano; Di Credico, Barbara; Caporali, Maria; Gonsalvi, Luca; Fornasiero, Paolo; Peruzzini, Maurizio
Journal of publication	Crystal Growth & Design
Year of publication	2008
Journal volume	8
Journal issue	9
Pages of publication	3302
a	8.149 ± 0.003 Å
b	8.149 ± 0.003 Å
c	22.598 ± 0.008 Å
α	90°
β	90°
γ	120°
Cell volume	1299.6 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0471
Residual factor for significantly intense reflections	0.043
Weighted residual factors for significantly intense reflections	0.116
Weighted residual factors for all reflections included in the refinement	0.1203
Goodness-of-fit parameter for all reflections included in the refinement	1.445
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179571 (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 4/50/36.	4503634.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4503634.cif
41676	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4503634 via cif-deposit CGI script.	4503634.cif