Crystallography Open Database

Information card for entry 8105317

Preview

Coordinates	8105317.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H36 Mo8 N6 O29
Calculated formula	C8 H36 Mo8 N6 O29
Title of publication	The crystal structure of catena-poly[bis[3-azoniapentane-1,5-diammonium][bis(μ4-oxo)-tetrakis(μ3-oxo)-heptakis(μ2-oxo)-tetradecaoxo-octa-molybdenum] dihydrate], (C8H36N6O29Mo8) n
Authors of publication	Wu-Hua, Chen; Dai-Bin, Yang; Zhao-Bin, Jiang
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2020
Journal volume	235
Journal issue	4
Pages of publication	879 - 880
a	10.5883 ± 0.0004 Å
b	9.4385 ± 0.0003 Å
c	16.5154 ± 0.0007 Å
α	90°
β	94.616 ± 0.004°
γ	90°
Cell volume	1645.16 ± 0.11 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0433
Residual factor for significantly intense reflections	0.0359
Weighted residual factors for significantly intense reflections	0.0842
Weighted residual factors for all reflections included in the refinement	0.0887
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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
275573 (current)	2022-05-20	cif/ Adding structures of 8105317 via cif-deposit CGI script.	8105317.cif