Crystallography Open Database

Information card for entry 4501968

4501967 << 4501968 >> 4501969

Preview

Coordinates	4501968.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H102 N6 Ni3 O92 P2 W18
Calculated formula	C39 H42 N6 Ni3 O68 P2 W18
Title of publication	Polyoxometalate-Based Porous Framework with Perovskite Topology
Authors of publication	Wang, Xiao-Lan; Li, Yang-Guang; Lu, Ying; Fu, Hai; Su, Zhong-Min; Wang, En-Bo
Journal of publication	Crystal Growth & Design
Year of publication	2010
Journal volume	10
Journal issue	10
Pages of publication	4227
a	29.557 ± 0.003 Å
b	29.557 ± 0.003 Å
c	29.557 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	25821 ± 5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	223
Hermann-Mauguin space group symbol	P m -3 n
Hall space group symbol	-P 4n 2 3
Residual factor for all reflections	0.1028
Residual factor for significantly intense reflections	0.0848
Weighted residual factors for significantly intense reflections	0.2146
Weighted residual factors for all reflections included in the refinement	0.2258
Goodness-of-fit parameter for all reflections included in the refinement	1.136
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
179550 (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 4/50/19.	4501968.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4501968.cif
36186	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 4501968 via cif-deposit CGI script.	4501968.cif