Crystallography Open Database

Information card for entry 2206981

2206980 << 2206981 >> 2206982

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Coordinates	2206981.cif
Structure factors	2206981.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	di-μ-acetato-κ^4^O:O'-bis[bis(1,10-phenanthroline-κ^2^N,N')manganese(II)] bis(perchlorate)
Formula	C52 H38 Cl2 Mn2 N8 O12
Calculated formula	C52 H38 Cl2 Mn2 N8 O12
SMILES	c1[n]2[Mn]34([n]5cccc6c5c5[n]3cccc5cc6)([O]=C(O[Mn]35([n]6cccc7c6c6c(ccc[n]36)cc7)([n]3cccc6c3c3[n]5cccc3cc6)[O]=C(O4)C)C)[n]3c4c2c(cc1)ccc4ccc3.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
Title of publication	A binuclear manganese(II) complex: di-μ-acetato-κ^4^<i>O</i>:<i>O</i>'-bis[bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')manganese(II)] bis(perchlorate)
Authors of publication	Xueli Niu; Jianmin Dou; Changwen Hu; Dacheng Li; Daqi Wang
Journal of publication	Acta Crystallographica Section E
Year of publication	2005
Journal volume	61
Journal issue	10
Pages of publication	m1909 - m1911
a	9.5474 ± 0.0012 Å
b	14.1858 ± 0.0018 Å
c	18.802 ± 0.002 Å
α	90°
β	96.224 ± 0.002°
γ	90°
Cell volume	2531.5 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0529
Residual factor for significantly intense reflections	0.0436
Weighted residual factors for significantly intense reflections	0.1238
Weighted residual factors for all reflections included in the refinement	0.1321
Goodness-of-fit parameter for all reflections included in the refinement	1.008
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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