Crystallography Open Database

Information card for entry 7209983

7209982 << 7209983 >> 7209984

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Coordinates	7209983.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H21 Mn2 N15 O3
Calculated formula	C21 H21 Mn2 N15 O3
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	19.6971 ± 0.0009 Å
b	19.6971 ± 0.0009 Å
c	19.9978 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	7758.7 ± 0.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.0711
Residual factor for significantly intense reflections	0.0624
Weighted residual factors for significantly intense reflections	0.1755
Weighted residual factors for all reflections included in the refinement	0.1846
Goodness-of-fit parameter for all reflections included in the refinement	1.064
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.	7209983.cif
86890	2013-07-12	cif/ Adding structures of 7209982, 7209983 via cif-deposit CGI script.	7209983.cif