Crystallography Open Database

Information card for entry 8106702

Preview

Coordinates	8106702.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H40 Cl8 Mn4 O16
Calculated formula	C40 H40 Cl8 Mn4 O16
Title of publication	Synthesis and crystal structure tetrakis(μ2-methanolato)-dimethanol-bis(μ2-2-acetyl-1,3-bis(3,5-dichloro-2-oxidophenyl)propane-1,3-bis(olato)-κ5 O 1,O 2,O 3:O 3,O 4,O 5), tetramanganese(III), C40H40Cl8Mn4O16
Authors of publication	Zhao, Ji-Xing; Zhao, Li; Li, Peng-Peng; Zhu, Zhao-Bin; Wang, Fei; An, Qin-Qin
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2017
Journal volume	232
Journal issue	6
Pages of publication	859 - 861
a	9.2586 ± 0.0005 Å
b	11.6798 ± 0.001 Å
c	12.3267 ± 0.0008 Å
α	70.237 ± 0.007°
β	75.557 ± 0.005°
γ	81.358 ± 0.006°
Cell volume	1211.65 ± 0.16 Å³
Cell temperature	293.6 ± 0.1 K
Ambient diffraction temperature	293.6 ± 0.1 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	0.0407
Residual factor for significantly intense reflections	0.0333
Weighted residual factors for significantly intense reflections	0.0848
Weighted residual factors for all reflections included in the refinement	0.0906
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
280802 (current)	2023-02-07	cif/ Adding structures of 8106702 via cif-deposit CGI script.	8106702.cif