Crystallography Open Database

Information card for entry 7219713

7219712 << 7219713 >> 7219714

Preview

Coordinates	7219713.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	a14269
Chemical name	Compound 1
Formula	C51 H47 Mn2 N9 O11 S4
Calculated formula	C51 H47 Mn2 N9 O11 S4
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	17.9446 ± 0.0005 Å
b	11.1704 ± 0.0003 Å
c	27.228 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	5457.8 ± 0.3 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0331
Residual factor for significantly intense reflections	0.0272
Weighted residual factors for significantly intense reflections	0.0646
Weighted residual factors for all reflections included in the refinement	0.0682
Goodness-of-fit parameter for all reflections included in the refinement	1.057
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
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.	7219713.cif
134931	2015-04-06	cif/ Updating files of 7219713, 7219714, 7219715, 7219716, 7219717 Original log message: Adding full bibliography for 7219713--7219717.cif.	7219713.cif
132719	2015-03-04	cif/ Adding structures of 7219713, 7219714, 7219715, 7219716, 7219717 via cif-deposit CGI script.	7219713.cif