Crystallography Open Database

Information card for entry 4302707

Preview

Coordinates	4302707.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H16 Mn N10
Calculated formula	C24 H16 Mn N10
Title of publication	Porous Manganese(II) 3-(2-Pyridyl)-5-(4-Pyridyl)-1,2,4-Triazolate Frameworks: Rational Self-Assembly, Supramolecular Isomerism, Solid-State Transformation, and Sorption Properties
Authors of publication	Jian-Bin Lin; Jie-Peng Zhang; Wei-Xiong Zhang; Wei Xue; Dong-Xu Xue; Xiao-Ming Chen
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	6652 - 6660
a	8.7996 ± 0.0019 Å
b	14.92 ± 0.003 Å
c	9.3771 ± 0.0019 Å
α	90°
β	108.615 ± 0.004°
γ	90°
Cell volume	1166.7 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
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	0.0977
Residual factor for significantly intense reflections	0.0788
Weighted residual factors for significantly intense reflections	0.2216
Weighted residual factors for all reflections included in the refinement	0.2391
Goodness-of-fit parameter for all reflections included in the refinement	1.005
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
179065 (current)	2016-03-22	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/27.	4302707.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4302707.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4302707.cif
1125	2010-04-25	cif/4/ Adding CIFs for the Inorg-Chem-2009_11-24 deposition.	4302707.cif