Crystallography Open Database

Information card for entry 2204323

2204322 << 2204323 >> 2204324

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Structure parameters

Chemical name	Diaquabis(1H-imidazole-κN^3^)bis(nitrobenzoato-κO)manganese(II)
Formula	C20 H20 Mn N6 O10
Calculated formula	C20 H20 Mn N6 O10
SMILES	[Mn](OC(=O)c1ccc(cc1)N(=O)=O)(OC(=O)c1ccc(cc1)N(=O)=O)([OH2])([OH2])([n]1c[nH]cc1)[n]1c[nH]cc1
Title of publication	Diaquabis(1<i>H</i>-imidazole-κ<i>N</i>^3^)bis(nitrobenzoato-κ<i>O</i>)manganese(II)
Authors of publication	Tu-Gen Xu; Duan-Jun Xu
Journal of publication	Acta Crystallographica Section E
Year of publication	2004
Journal volume	60
Journal issue	10
Pages of publication	m1462 - m1464
a	5.6745 ± 0.0003 Å
b	8.1082 ± 0.0003 Å
c	12.8399 ± 0.0006 Å
α	76.7284 ± 0.0015°
β	88.139 ± 0.002°
γ	86.3319 ± 0.0013°
Cell volume	573.71 ± 0.05 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 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 all reflections	0.033
Residual factor for significantly intense reflections	0.031
Weighted residual factors for significantly intense reflections	0.08
Weighted residual factors for all reflections included in the refinement	0.082
Goodness-of-fit parameter for all reflections included in the refinement	1.096
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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