Crystallography Open Database

Information card for entry 4504393

Preview

Coordinates	4504393.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Cu-pyrimidine helix
Formula	C4 H14 Cu F6 N2 O5 Si
Calculated formula	C4 H14 Cu F6 N2 O5 Si
Title of publication	Enantiomorphic Helical Coordination Polymers of {[M(pyrimidine)(OH2)4][SiF6]·H2O}∞(M = Co2+, Cu2+, Zn2+)
Authors of publication	Cordes, David, B.; Rogers, Robin D.
Journal of publication	Crystal Growth & Design
Year of publication	2007
Journal volume	7
Journal issue	10
Pages of publication	1943
a	11.1513 ± 0.0006 Å
b	11.1513 ± 0.0006 Å
c	19.3206 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	2402.5 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	92
Hermann-Mauguin space group symbol	P 41 21 2
Hall space group symbol	P 4abw 2nw
Residual factor for all reflections	0.0484
Residual factor for significantly intense reflections	0.0295
Weighted residual factors for significantly intense reflections	0.0521
Weighted residual factors for all reflections included in the refinement	0.0561
Goodness-of-fit parameter for all reflections included in the refinement	0.927
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
179578 (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 4/50/43.	4504393.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4504393.cif
45102	2012-03-20	../uploads/cif-deposit/cod/cif Adding structures of 4504392, 4504393, 4504394 via cif-deposit CGI script.	4504393.cif