Crystallography Open Database

Information card for entry 4504073

Preview

Coordinates	4504073.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H26 Mn O15 S2
Calculated formula	C10 H20 Mn O15 S2
Title of publication	Solution and Solid-State Preparation of 18-Crown-6 and 15-Crown-5 Adducts of Hydrogen Sulfate Salts and an Investigation of the Reversible Dehydration Processes
Authors of publication	Braga, Dario; Gandolfi, Massimo; Lusi, Matteo; Polito, Marco; Rubini, Katia; Grepioni, Fabrizia
Journal of publication	Crystal Growth & Design
Year of publication	2007
Journal volume	7
Journal issue	5
Pages of publication	919
a	7.418 ± 0.003 Å
b	18.016 ± 0.005 Å
c	14.851 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	1984.7 ± 1.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	36
Hermann-Mauguin space group symbol	C c m 21
Hall space group symbol	C 2c -2c
Residual factor for all reflections	0.0555
Residual factor for significantly intense reflections	0.054
Weighted residual factors for significantly intense reflections	0.1516
Weighted residual factors for all reflections included in the refinement	0.1546
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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
179575 (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 4/50/40.	4504073.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4504073.cif
44906	2012-03-20	../uploads/cif-deposit/cod/cif Adding structures of 4504073 via cif-deposit CGI script.	4504073.cif