Crystallography Open Database

Information card for entry 7039886

Preview

Coordinates	7039886.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H28 Mn4 O12 S4
Calculated formula	C24 H28 Mn4 O12 S4
SMILES	[Mn]12(S3([Mn]4(S1([Mn]1(S2([Mn]3(S41CCC)(C#[O])(C#[O])C#[O])CCC)(C#[O])(C#[O])C#[O])CCC)(C#[O])(C#[O])C#[O])CCC)(C#[O])(C#[O])C#[O]
Title of publication	Remote-controlled delivery of CO via photoactive CO-releasing materials on a fiber optical device.
Authors of publication	Gläser, Steve; Mede, Ralf; Görls, Helmar; Seupel, Susanne; Bohlender, Carmen; Wyrwa, Ralf; Schirmer, Sina; Dochow, Sebastian; Reddy, Gandra Upendar; Popp, Jürgen; Westerhausen, Matthias; Schiller, Alexander
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	33
Pages of publication	13222 - 13233
a	17.7283 ± 0.0002 Å
b	17.9385 ± 0.0002 Å
c	20.8681 ± 0.0003 Å
α	66.466 ± 0.001°
β	89.888 ± 0.001°
γ	60.578 ± 0.001°
Cell volume	5140.63 ± 0.14 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0395
Residual factor for significantly intense reflections	0.0376
Weighted residual factors for significantly intense reflections	0.0872
Weighted residual factors for all reflections included in the refinement	0.0886
Goodness-of-fit parameter for all reflections included in the refinement	1.12
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
186423 (current)	2016-09-10	cif/ Updating files of 7039886, 7039887 Original log message: Adding full bibliography for 7039886--7039887.cif.	7039886.cif
184333	2016-07-09	cif/ Adding structures of 7039886, 7039887 via cif-deposit CGI script.	7039886.cif