Crystallography Open Database

Information card for entry 7002906

Preview

Coordinates	7002906.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H66 Mn4 N16 O20
Calculated formula	C60 H58 Mn4 N16 O20
Title of publication	Synthesis, structures and magnetic properties of polynuclear mixed-valence MnIIMnIII complexes containing 3-(2-phenol)-5-(pyridin-2-yl)-1,2,4-triazole ligand
Authors of publication	Liu, Hui; Tian, Jinlei; Kou, Yingying; Zhang, Jingyan; Feng, Li; Li, Dongdong; Gu, Wen; Liu, Xin; Liao, Daizheng; Cheng, Peng; Ribas, Joan; Yan, Shiping
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	47
Pages of publication	10511 - 10517
a	18.617 ± 0.008 Å
b	16.674 ± 0.007 Å
c	21.381 ± 0.009 Å
α	90°
β	91.018 ± 0.005°
γ	90°
Cell volume	6636 ± 5 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0739
Residual factor for significantly intense reflections	0.0666
Weighted residual factors for significantly intense reflections	0.1452
Weighted residual factors for all reflections included in the refinement	0.1495
Goodness-of-fit parameter for all reflections included in the refinement	1.179
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179733 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/29.	7002906.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7002906.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7002906.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7002906.cif