Crystallography Open Database

Information card for entry 7015544

Preview

Coordinates	7015544.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C192 H142 Mo2 N8 O50 S W12
Calculated formula	C192 H136 Mo2 N8 O50 S W12
Title of publication	Enclosure of a Keggin-type heteropolyoxometalate into a tubular π-space via hydrogen bonds with a nonplanar Mo(v)-porphyrin complex forming a supramolecular assembly.
Authors of publication	Yokoyama, Atsutoshi; Kojima, Takahiko; Fukuzumi, Shunichi
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2011
Journal volume	40
Journal issue	24
Pages of publication	6445 - 6450
a	16.185 ± 0.002 Å
b	17.072 ± 0.002 Å
c	20.604 ± 0.003 Å
α	91.431 ± 0.002°
β	111.262 ± 0.002°
γ	116.401 ± 0.002°
Cell volume	4632.5 ± 1 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0587
Residual factor for significantly intense reflections	0.0398
Weighted residual factors for significantly intense reflections	0.0915
Weighted residual factors for all reflections included in the refinement	0.1058
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
179859 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/55.	7015544.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7015544.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7015544.cif
21185	2011-06-21	../uploads/cif-deposit/cod/cif Adding structures of 7015544 via cif-deposit CGI script.	7015544.cif