Crystallography Open Database

Information card for entry 7216645

Preview

Coordinates	7216645.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H44 Mo6 N6 O29.5 P
Calculated formula	C6 H13 Mo6 N6 O29.5 P
Title of publication	Self assembly of carboxylate/alcoholate functionalized ring-shape phosphomolybdates
Authors of publication	Yang, Donghui; Liang, Yanfen; Ma, Pengtao; Li, Suzhi; Wang, Jingping; Niu, Jingyang
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	34
Pages of publication	8041
a	14.3564 ± 0.0012 Å
b	13.8963 ± 0.0012 Å
c	18.4197 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	3674.7 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0325
Residual factor for significantly intense reflections	0.0307
Weighted residual factors for significantly intense reflections	0.0825
Weighted residual factors for all reflections included in the refinement	0.0837
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7216645.cif
121599	2014-08-08	cif/ Updating files of 7216645, 7216646, 7216647, 7216648, 7216649, 7216650 Original log message: Adding full bibliography for 7216645--7216650.cif.	7216645.cif
117764	2014-06-17	cif/ Adding structures of 7216645, 7216646, 7216647, 7216648, 7216649, 7216650 via cif-deposit CGI script.	7216645.cif