Crystallography Open Database

Information card for entry 7220833

7220832 << 7220833 >> 7220834

Preview

Coordinates	7220833.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H64 Cr2 Cu3 Mo12 N12 O64
Calculated formula	C26 H28 Cr2 Cu3 Mo12 N12 O64
Title of publication	Application of flexible bis-pyrazine-bis-amide ligands to construct various polyoxometalate-based metal-organic complexes
Authors of publication	Wang, Xiuli; Liu, Danna; Lin, Hongyan; Liu, Guocheng; Han, Na; Luan, Jian; Chang, Zhihan
Journal of publication	RSC Adv.
Year of publication	2015
a	10.678 ± 0.0006 Å
b	13.448 ± 0.0008 Å
c	14.015 ± 0.0008 Å
α	105.587 ± 0.001°
β	102.566 ± 0.001°
γ	93.589 ± 0.0011°
Cell volume	1876.32 ± 0.19 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	0.0554
Residual factor for significantly intense reflections	0.0412
Weighted residual factors for significantly intense reflections	0.1056
Weighted residual factors for all reflections included in the refinement	0.1112
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	7220833.cif
139503	2015-06-23	cif/ Adding structures of 7220833, 7220834, 7220835, 7220836, 7220837 via cif-deposit CGI script.	7220833.cif