Crystallography Open Database

Information card for entry 7039661

Preview

Coordinates	7039661.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Compound X
Formula	C92 H66 Cu4 Mo N26 O12
Calculated formula	C92 H66 Cu4 Mo N26 O12
Title of publication	Photoswitchable CuMo(IV) and CuMo(IV) cyanido-bridged molecules.
Authors of publication	Korzeniak, Tomasz; Pinkowicz, Dawid; Nitek, Wojciech; Dańko, Tomasz; Pełka, Robert; Sieklucka, Barbara
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	42
Pages of publication	16585 - 16595
a	17.002 ± 0.0003 Å
b	17.002 ± 0.0003 Å
c	16.694 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	4825.7 ± 0.15 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	86
Hermann-Mauguin space group symbol	P 42/n :2
Hall space group symbol	-P 4bc
Residual factor for all reflections	0.0865
Residual factor for significantly intense reflections	0.0525
Weighted residual factors for significantly intense reflections	0.1236
Weighted residual factors for all reflections included in the refinement	0.1461
Goodness-of-fit parameter for significantly intense reflections	26.113
Goodness-of-fit parameter for all reflections included in the refinement	1.067
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
188224 (current)	2016-11-08	cif/ Updating files of 7039660, 7039661 Original log message: Adding full bibliography for 7039660--7039661.cif.	7039661.cif
183921	2016-06-25	cif/ Adding structures of 7039660, 7039661 via cif-deposit CGI script.	7039661.cif