Crystallography Open Database

Information card for entry 1519070

1519069 << 1519070 >> 1519071

Preview

Coordinates	1519070.cif

Structure parameters

Formula	C42 H50 Mn N14 O8
Calculated formula	C42 Mn N14 O8
SMILES	[Mn]([OH2])([OH2])([n]1cn(cc1)Cc1ccc(cc1)Cn1cncc1)([n]1cn(cc1)Cc1ccc(cc1)Cn1c[n](cc1)[Mn]([OH2])([OH2])([n]1cn(cc1)Cc1ccc(cc1)Cn1cncc1)([n]1cn(cc1)Cc1ccc(Cn2cncc2)cc1)[n]1cn(cc1)Cc1ccc(cc1)Cn1cncc1)[n]1cn(cc1)Cc1ccc(cc1)Cn1cncc1.O=N[O-].O.O=N[O-].O.O=N[O-].O.O=N[O-].O
Title of publication	Crystal Structure of a New Quasi-Two-Dimensional Compound Containing 1,4-Bis(imidazol-1-ylmethyl)benzene (bix) and MnII ions.
Authors of publication	Shen, Hao-Yu; Liao, Dai-Zheng; Jiang, Zong-Hui; Yan, Shi-Ping; Wang, Geng-Lin; Yao, Xin-Kan; Wang, Hong-Gen
Journal of publication	Acta Chemica Scandinavica
Year of publication	1999
Journal volume	53
Pages of publication	387 - 390
a	9.037 ± 0.002 Å
b	11.498 ± 0.002 Å
c	12.404 ± 0.002 Å
α	110.09 ± 0.03°
β	109.62 ± 0.03°
γ	93.05 ± 0.03°
Cell volume	1119.3 ± 0.5 Å³
Ambient diffraction temperature	299 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.072
Weighted residual factors for significantly intense reflections	0.0725
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1519070.cif
135332	2015-04-22	cif/ Adding structures of 1519070 via cif-deposit CGI script.	1519070.cif