Crystallography Open Database

Information card for entry 4504074

Preview

Coordinates	4504074.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H26 Cd O15 S2
Calculated formula	C10 H20 Cd 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	7.511 ± 0.003 Å
b	18.212 ± 0.006 Å
c	14.92 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	2040.9 ± 1.3 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	0.0566
Residual factor for significantly intense reflections	0.0541
Weighted residual factors for significantly intense reflections	0.1271
Weighted residual factors for all reflections included in the refinement	0.131
Goodness-of-fit parameter for all reflections included in the refinement	0.969
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
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.	4504074.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4504074.cif
44907	2012-03-20	../uploads/cif-deposit/cod/cif Adding structures of 4504074 via cif-deposit CGI script.	4504074.cif