Crystallography Open Database

Information card for entry 7221713

Preview

Coordinates	7221713.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H23 Mo3 N5 O29.5 P Re4
Calculated formula	C12 Mo3 N5 O29.5 P Re4
Title of publication	Nona-Vacant Keggin-Type Tricarbonyl Rhenium Derivate {[PMo3O16][Re(CO)3]4}5‒ and its Catalytic Performance for CO2 Cycloaddition Reactions
Authors of publication	Huo, Zhiyuan; Guo, Jipeng; Lu, Jingkun; Xu, Qiaofei; Ma, Pengtao; Zhao, Juan; Zhang, Dongdi; Niu, Jingyang; Wang, Jingping
Journal of publication	RSC Adv.
Year of publication	2015
a	15.6576 ± 0.0019 Å
b	19.748 ± 0.002 Å
c	18.942 ± 0.002 Å
α	90°
β	96.895 ± 0.002°
γ	90°
Cell volume	5814.6 ± 1.1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0667
Residual factor for significantly intense reflections	0.0497
Weighted residual factors for significantly intense reflections	0.1363
Weighted residual factors for all reflections included in the refinement	0.1433
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
176429 (current)	2016-02-13	cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary.	7221713.cif
176428	2016-02-13	cif/ (antanas@kurmis) Replacing _cod_cif_authors_sg_Hall tag with _cod_original_sg_symbol_Hall tag and _cod_cif_authors_sg_H-M tag with _cod_original_sg_symbol_H-M tag in multiple entries sine the replaced tags are deprecated according to the COD CIF dictionary.	7221713.cif
152684	2015-08-01	cif/ Adding structures of 7221713 via cif-deposit CGI script.	7221713.cif