Crystallography Open Database

Information card for entry 4503360

Preview

Coordinates	4503360.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cu H10 Na3 O17 S4 Zn2
Calculated formula	Cu H8 Na3 O17 S4 Zn2
Title of publication	Cu(SO3)47-: A Readily Accessible Building Block for New Coordination Polymers
Authors of publication	Abrahams, Brendan F.; Haywood, Marissa G.; Robson, Richard
Journal of publication	Crystal Growth & Design
Year of publication	2008
Journal volume	8
Journal issue	4
Pages of publication	1288
a	7.4909 ± 0.0009 Å
b	14.0406 ± 0.0017 Å
c	7.7846 ± 0.0009 Å
α	90°
β	99.963 ± 0.002°
γ	90°
Cell volume	806.41 ± 0.17 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	6
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0367
Residual factor for significantly intense reflections	0.0332
Weighted residual factors for significantly intense reflections	0.0764
Weighted residual factors for all reflections included in the refinement	0.0778
Goodness-of-fit parameter for all reflections included in the refinement	1.09
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4503360.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4503360.cif
41499	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4503360, 4503361, 4503362, 4503363, 4503364 via cif-deposit CGI script.	4503360.cif