Crystallography Open Database

Information card for entry 7211037

Preview

Coordinates	7211037.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C118 H142 Cu4 N10 O88 P W12
Calculated formula	C118 H142 Cu4 N10 O88 P W12
Title of publication	Encapsulation of polyoxometalates within layered metal‒organic frameworks with topological and pore control
Authors of publication	He, Zhi; Pang, Qingqing; Rankine, Damien; Sumby, Christopher J.; Zhang, Lijuan; Doonan, Christian J.; Li, Qiaowei
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	45
Pages of publication	9340
a	18.041 ± 0.0038 Å
b	27.83 ± 0.0058 Å
c	24.1272 ± 0.0051 Å
α	90°
β	106.695 ± 0.003°
γ	90°
Cell volume	11603 ± 4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.1178
Residual factor for significantly intense reflections	0.0673
Weighted residual factors for significantly intense reflections	0.2236
Weighted residual factors for all reflections included in the refinement	0.2716
Goodness-of-fit parameter for all reflections included in the refinement	1.063
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
180441 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/10.	7211037.cif
90186	2013-11-17	cif/ Adding structures of 7211035, 7211036, 7211037 via cif-deposit CGI script.	7211037.cif