Crystallography Open Database

Information card for entry 7029458

Preview

Coordinates	7029458.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H74 Mo10 N32 O55 P4 Zn
Calculated formula	C48 H60 Mo10 N32 O55 P4 Zn
Title of publication	Three molybdophosphates based on Strandberg-type anions and Zn(ii)-H2biim/H2O subunits: syntheses, structures and catalytic properties.
Authors of publication	Li, Zi-Liang; Wang, Ying; Zhang, Lan-Cui; Wang, Jian-Ping; You, Wan-Sheng; Zhu, Zai-Ming
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	15
Pages of publication	5840 - 5846
a	11.112 ± 0.0016 Å
b	11.3558 ± 0.0016 Å
c	21.988 ± 0.003 Å
α	100.062 ± 0.002°
β	93.345 ± 0.002°
γ	116.935 ± 0.002°
Cell volume	2405.5 ± 0.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0355
Residual factor for significantly intense reflections	0.0335
Weighted residual factors for significantly intense reflections	0.0876
Weighted residual factors for all reflections included in the refinement	0.0892
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180000 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/94.	7029458.cif
108309	2014-03-30	cif/ Adding structures of 7029457, 7029458, 7029459 via cif-deposit CGI script.	7029458.cif