Crystallography Open Database

Information card for entry 4320360

4320359 << 4320360 >> 4320361

Preview

Coordinates	4320360.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 Mn4 O15 S4
Calculated formula	C15 Mn4 O15 S4
SMILES	[Mn]12([S]3([Mn]4([S]1[S]2[Mn]([S]34)(C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])[Mn](C#[O])(C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O]
Title of publication	Mn2(CO)6(μ-CO)(μ-S2): The Simplest Disulfide of Manganese Carbonyl
Authors of publication	Richard D. Adams; O-Sung Kwon; Mark D. Smith
Journal of publication	Inorganic Chemistry
Year of publication	2001
Journal volume	40
Pages of publication	5322 - 5323
a	9.3161 ± 0.0007 Å
b	15.5165 ± 0.0011 Å
c	18.1976 ± 0.0013 Å
α	90°
β	96.028 ± 0.002°
γ	90°
Cell volume	2616 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
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	0.0582
Residual factor for significantly intense reflections	0.0374
Weighted residual factors for significantly intense reflections	0.0745
Weighted residual factors for all reflections included in the refinement	0.0811
Goodness-of-fit parameter for all reflections included in the refinement	0.908
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
179306 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/03.	4320360.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4320360.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4320360.cif
17264	2011-04-06	../uploads/cif-deposit/cod/cif Adding structures of 4320360 via cif-deposit CGI script.	4320360.cif