Crystallography Open Database

Information card for entry 4328003

Preview

Coordinates	4328003.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H35 K3 O5
Calculated formula	C28 H35 K3 O5
Title of publication	Effects of the Alkali-Metal Cation Size on Molecular and Extended Structures: Formation of Coordination Polymers and Hybrid Materials in the Homologous Series [(4-Et-C6H4OM).(diox)n], M = Li, Na, K, Rb, Cs
Authors of publication	Jeffrey A. Bertke; Allen G. Oliver; Kenneth W. Henderson
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	1020 - 1027
a	19.2016 ± 0.0012 Å
b	20.4584 ± 0.0012 Å
c	7.2704 ± 0.0005 Å
α	90°
β	90.113 ± 0.004°
γ	90°
Cell volume	2856.1 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0956
Residual factor for significantly intense reflections	0.0659
Weighted residual factors for significantly intense reflections	0.1238
Weighted residual factors for all reflections included in the refinement	0.138
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179383 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/80.	4328003.cif
76947	2013-03-22	cif/ Adding structures of 4328003 via cif-deposit CGI script.	4328003.cif