Crystallography Open Database

Information card for entry 7217022

Preview

Coordinates	7217022.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C88 H207 As4 N13 O216 Re12 W44
Calculated formula	C88 H156 As4 N13 O216 Re12 W44
Title of publication	A monovacant heteropolytungstate-incorporated trimeric carbonyl rhenium cluster, [(AsW11O39){Re(CO)3}3(μ3-OH)(μ2-OH)]6−: synthesis, structure and catalytic properties
Authors of publication	Zhang, Yanhui; Zhang, Dongdi; Huo, Zhiyuan; Ma, Pengtao; Niu, Jingyang; Wang, Jingping
Journal of publication	RSC Advances
Year of publication	2014
Journal volume	4
Journal issue	55
Pages of publication	28848
a	23.4276 ± 0.0004 Å
b	23.4276 ± 0.0004 Å
c	32.0967 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	17616.4 ± 0.7 Å³
Cell temperature	124.8 ± 0.3 K
Ambient diffraction temperature	124.8 ± 0.3 K
Number of distinct elements	7
Space group number	114
Hermann-Mauguin space group symbol	P -4 21 c
Hall space group symbol	P -4 2n
Residual factor for all reflections	0.1079
Residual factor for significantly intense reflections	0.0665
Weighted residual factors for significantly intense reflections	0.1355
Weighted residual factors for all reflections included in the refinement	0.1572
Goodness-of-fit parameter for all reflections included in the refinement	1.054
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
180501 (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 7/21/70.	7217022.cif
118978	2014-07-04	cif/ Adding structures of 7217022 via cif-deposit CGI script.	7217022.cif