Crystallography Open Database

Information card for entry 4320359

4320358 << 4320359 >> 4320360

Preview

Coordinates	4320359.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 Mn2 O7 S2
Calculated formula	C7 Mn2 O7 S2
SMILES	[Mn]123([Mn]4([S]1[S]24)(C3=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	6.8528 ± 0.0006 Å
b	10.0584 ± 0.0009 Å
c	17.3064 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	1192.9 ± 0.18 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.027
Residual factor for significantly intense reflections	0.0257
Weighted residual factors for significantly intense reflections	0.0601
Weighted residual factors for all reflections included in the refinement	0.0606
Goodness-of-fit parameter for all reflections included in the refinement	1.002
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.	4320359.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4320359.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4320359.cif
17263	2011-04-06	../uploads/cif-deposit/cod/cif Adding structures of 4320359 via cif-deposit CGI script.	4320359.cif