Crystallography Open Database

Information card for entry 7039887

Preview

Coordinates	7039887.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H36 Mn4 O12 S4
Calculated formula	C28 H36 Mn4 O12 S4
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	19.1734 ± 0.0009 Å
b	18.1618 ± 0.0009 Å
c	65.709 ± 0.003 Å
α	90°
β	91.582 ± 0.002°
γ	90°
Cell volume	22872.7 ± 1.9 Å³
Cell temperature	413 ± 2 K
Ambient diffraction temperature	413 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1154
Residual factor for significantly intense reflections	0.0598
Weighted residual factors for significantly intense reflections	0.1092
Weighted residual factors for all reflections included in the refinement	0.1276
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	Yes
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.	7039887.cif
184333	2016-07-09	cif/ Adding structures of 7039886, 7039887 via cif-deposit CGI script.	7039887.cif