Crystallography Open Database

Information card for entry 7111626

Preview

Coordinates	7111626.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C80 H86 Cu4 N16 O86 P2 W24
Calculated formula	C80 H72 Cu4 N16 O80 P2 W24
Title of publication	A polyoxometalate-encapsulated 3D porous metal‒organic pseudo-rotaxane framework
Authors of publication	Pang, Hai-jun; Peng, Jun; Zhang, Chun-jing; Li, Yang-guang; Zhang, Peng-peng; Ma, Hui-yuan; Su, Zhong-min
Journal of publication	Chemical Communications
Year of publication	2010
Journal volume	46
Journal issue	28
Pages of publication	5097 - 5099
a	14.172 ± 0.005 Å
b	24.011 ± 0.005 Å
c	26.274 ± 0.005 Å
α	90 ± 0.005°
β	90 ± 0.005°
γ	90 ± 0.005°
Cell volume	8941 ± 4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	48
Hermann-Mauguin space group symbol	P n n n :2
Hall space group symbol	-P 2ab 2bc
Residual factor for all reflections	0.1129
Residual factor for significantly intense reflections	0.0466
Weighted residual factors for significantly intense reflections	0.1034
Weighted residual factors for all reflections included in the refinement	0.1197
Goodness-of-fit parameter for all reflections included in the refinement	0.826
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180230 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/16.	7111626.cif
96709	2014-01-29	cif/ Adding structures of 7111626 via cif-deposit CGI script.	7111626.cif