Crystallography Open Database

Information card for entry 7209982

7209981 << 7209982 >> 7209983

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Coordinates	7209982.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H18 Mn2 N14 O4
Calculated formula	C18 H16 Mn2 N14 O4
Title of publication	Two solvent-dependent manganese(ii) supramolecular isomers: solid-state transformation and magnetic properties
Authors of publication	Dong, Wen-Wen; Li, Dong-Sheng; Zhao, Jun; Ma, Lu-Fang; Wu, Ya-Pan; Duan, Ya-Ping
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	27
Pages of publication	5412
a	23.746 ± 0.008 Å
b	12.946 ± 0.004 Å
c	15.957 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	4905 ± 3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
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	0.0698
Residual factor for significantly intense reflections	0.0542
Weighted residual factors for significantly intense reflections	0.1264
Weighted residual factors for all reflections included in the refinement	0.1356
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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
180430 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/99.	7209982.cif
86890	2013-07-12	cif/ Adding structures of 7209982, 7209983 via cif-deposit CGI script.	7209982.cif