Crystallography Open Database

Information card for entry 2021560

2021559 << 2021560 >> 2021561

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Coordinates	2021560.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Pentacarbonyl(2,2-difluoropropanethioato-κ<i>S</i>)manganese(I)
Formula	C8 H3 F2 Mn O6 S
Calculated formula	C8 H3 F2 Mn O6 S
Title of publication	Crystal structure of pentacarbonyl(2,2-difluoropropanethioato-κS)manganese(I)
Authors of publication	Daran, Jean-Claude; Morales-Cerrada, Roberto; Fliedel, Christophe; Gayet, Florence; Ladmiral, Vincent; Ameduri, Bruno; Poli, Rinaldo
Journal of publication	Acta Crystallographica Section E Crystallographic Communications
Year of publication	2019
Journal volume	75
Journal issue	5
Pages of publication	529
a	6.3503 ± 0.0004 Å
b	14.9583 ± 0.0009 Å
c	12.3127 ± 0.0009 Å
α	90°
β	97.149 ± 0.003°
γ	90°
Cell volume	1160.49 ± 0.13 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
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	0.0291
Residual factor for significantly intense reflections	0.0232
Weighted residual factors for significantly intense reflections	0.0587
Weighted residual factors for all reflections included in the refinement	0.0619
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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
214469 (current)	2019-04-03	cif/ Adding structures of 2021560 via cif-deposit CGI script.	2021560.cif