Crystallography Open Database

Information card for entry 4502575

Preview

Coordinates	4502575.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H178 As4 Dy8 K2 N4 Na2 O239 W44
Calculated formula	C8 As4 Dy8 K2 N4 Na2 O239 W44
Title of publication	Disassembly and Reassembly of Polyoxometalates: The Formation of Chains from an Adaptable Precursor
Authors of publication	Ritchie, Chris; Boskovic, Colette
Journal of publication	Crystal Growth & Design
Year of publication	2010
Journal volume	10
Journal issue	2
Pages of publication	488
a	22.1515 ± 0.0002 Å
b	19.8626 ± 0.0002 Å
c	24.6483 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	10844.9 ± 0.17 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	9
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0483
Residual factor for significantly intense reflections	0.0403
Weighted residual factors for significantly intense reflections	0.1051
Weighted residual factors for all reflections included in the refinement	0.1079
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
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.	4502575.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4502575.cif
36479	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 4502574, 4502575 via cif-deposit CGI script.	4502575.cif