Crystallography Open Database

Information card for entry 7219715

7219714 << 7219715 >> 7219716

Preview

Coordinates	7219715.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	ch14268
Chemical name	Compound 3
Formula	C72 H44 Mn3 N12 O17 S8
Calculated formula	C72 H42 Mn3 N12 O17 S8
Title of publication	Self-triggered conformations of disulfide ensembles in coordination polymers with multiple metal clusters
Authors of publication	Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Shih, Ying-Ru; Shen, Jing-Wen; Lee, Li-Wei; Chiang, Ming-Hsi; Lu, Kuang-Lieh
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	14
Pages of publication	2847
a	12.1946 ± 0.0007 Å
b	12.5819 ± 0.0009 Å
c	14.6838 ± 0.0009 Å
α	72.43 ± 0.004°
β	69.157 ± 0.004°
γ	62.887 ± 0.004°
Cell volume	1847.5 ± 0.2 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1123
Residual factor for significantly intense reflections	0.0563
Weighted residual factors for significantly intense reflections	0.1435
Weighted residual factors for all reflections included in the refinement	0.1966
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
180528 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/97.	7219715.cif
134931	2015-04-06	cif/ Updating files of 7219713, 7219714, 7219715, 7219716, 7219717 Original log message: Adding full bibliography for 7219713--7219717.cif.	7219715.cif
132719	2015-03-04	cif/ Adding structures of 7219713, 7219714, 7219715, 7219716, 7219717 via cif-deposit CGI script.	7219715.cif