Crystallography Open Database

Information card for entry 7214549

Preview

Coordinates	7214549.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H8 Mo O7 P
Calculated formula	C4 H8 Mo O7 P
Title of publication	A molybdenum diphosphonate network structure exhibiting reversible dehydration and selective uptake of methanol
Authors of publication	Ayi, Ayi A.; Burrows, Andrew D.; Mahon, Mary F.; Sebestyen, Viorica M.
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	45
Pages of publication	9301
a	20.8424 ± 0.0008 Å
b	10.6114 ± 0.0003 Å
c	9.0023 ± 0.0004 Å
α	90°
β	111.686 ± 0.004°
γ	90°
Cell volume	1850.09 ± 0.13 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0328
Residual factor for significantly intense reflections	0.02
Weighted residual factors for significantly intense reflections	0.0405
Weighted residual factors for all reflections included in the refinement	0.0415
Goodness-of-fit parameter for all reflections included in the refinement	0.946
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180476 (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 7/21/45.	7214549.cif
110298	2014-04-18	cif/ Adding structures of 7214549 via cif-deposit CGI script.	7214549.cif