Crystallography Open Database

Information card for entry 7112060

7112059 << 7112060 >> 7112061

Preview

Coordinates	7112060.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H18 Mn2 O9
Calculated formula	C16 H18 Mn2 O9
Title of publication	Observation of allylic rearrangement in water-rich reaction
Authors of publication	Yuan-Chao Pang; Xiufang Hou; Lei Qin; Chao Wu; Wei Xue; Yan-Zhen Zheng; Zhiping Zheng; Xiao-Ming Chen
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	2910
a	7.583 ± 0.0006 Å
b	9.8009 ± 0.0008 Å
c	13.5331 ± 0.001 Å
α	71.891 ± 0.001°
β	86.053 ± 0.001°
γ	71.757 ± 0.001°
Cell volume	907.46 ± 0.12 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0323
Residual factor for significantly intense reflections	0.0289
Weighted residual factors for significantly intense reflections	0.0759
Weighted residual factors for all reflections included in the refinement	0.0779
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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
180234 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/20.	7112060.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7112060.cif
103764	2014-03-07	cif/ Adding structures of 7112059, 7112060 via cif-deposit CGI script.	7112060.cif