Crystallography Open Database

Information card for entry 7234412

Preview

Coordinates	7234412.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	catena-(dodecakis(μ~2~-cyano)-dodecacyano- hexakis(bis(3-aminopropyl)amine)-hexa- copper(II)-tri-molybdenum(IV) water solvate)
Formula	C60 H118 Cu6 Mo3 N42 O8
Calculated formula	C60 H118 Cu6 Mo3 N42 O8
Title of publication	Photo-induced magnetic properties of the [CuII(bapa)]2[MoIV(CN)8].7H2O molecular ribbon
Authors of publication	Olaf Stefanczyk; Anna M. Majcher; Michaf Rams; Wojciech Nitek; Corine Mathoniere; Barbara Sieklucka
Journal of publication	Journal of Materials Chemistry C
Year of publication	2015
Journal volume	3
Pages of publication	8712 - 8719
a	15.5673 ± 0.0006 Å
b	16.1758 ± 0.0006 Å
c	24.8869 ± 0.001 Å
α	102.37 ± 0.002°
β	91.285 ± 0.002°
γ	115.542 ± 0.002°
Cell volume	5476.1 ± 0.4 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0661
Residual factor for significantly intense reflections	0.0485
Weighted residual factors for significantly intense reflections	0.1478
Weighted residual factors for all reflections included in the refinement	0.1551
Goodness-of-fit parameter for all reflections included in the refinement	1.119
Diffraction radiation probe	x-ray
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
219124 (current)	2019-10-07	cif/ Adding structures of 7234412 via cif-deposit CGI script.	7234412.cif