Crystallography Open Database

Information card for entry 4511100

Preview

Coordinates	4511100.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H20 Mn2 O14
Calculated formula	C10 H20 Mn2 O14
Title of publication	Coordination Chemistry of Cyclohexane-1,2,4,5-tetracarboxylate (H4L). Synthesis, Structure, and Magnetic Properties of Metal-Organic Frameworks with Conformation-Flexible H4L Ligand
Authors of publication	Wang, Jing; Ou, Yong-Cong; Shen, Yong; Yun, Lei; Leng, Ji-Dong; Lin, Zhuojia; Tong, Ming-Liang
Journal of publication	Crystal Growth & Design
Year of publication	2009
Journal volume	9
Journal issue	5
Pages of publication	2442
a	7.0769 ± 0.0006 Å
b	9.5083 ± 0.0008 Å
c	12.3146 ± 0.0007 Å
α	102.361 ± 0.006°
β	95.785 ± 0.005°
γ	94.597 ± 0.007°
Cell volume	800.89 ± 0.11 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0614
Residual factor for significantly intense reflections	0.0341
Weighted residual factors for significantly intense reflections	0.0615
Weighted residual factors for all reflections included in the refinement	0.0659
Goodness-of-fit parameter for all reflections included in the refinement	0.849
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
179658 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/11.	4511100.cif
114704	2014-05-29	cif/ Adding structures of 4511100, 4511101, 4511102, 4511103 via cif-deposit CGI script.	4511100.cif