Crystallography Open Database

Information card for entry 2206825

2206824 << 2206825 >> 2206826

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Structure parameters

Chemical name	Bis[5-bromo-1H-indole-3-carbaldehyde (2-nitrobenzoyl)hydrazonato- κ^2^N,O]bis(pyridine-κN)nickel(II) pyridine disolvate
Formula	C52 H40 Br2 N12 Ni O6
Calculated formula	C52 H40 Br2 N12 Ni O6
SMILES	c1(ccccc1C1=N[N](=Cc2c[nH]c3ccc(Br)cc23)[Ni]2([n]3ccccc3)(O1)([N](=Cc1c[nH]c3ccc(Br)cc13)N=C(c1c(cccc1)N(=O)=O)O2)[n]1ccccc1)N(=O)=O.n1ccccc1.n1ccccc1
Title of publication	Bis[5-bromo-1<i>H</i>-indole-3-carbaldehyde (2-nitrobenzoyl)hydrazonato-κ^2^<i>N</i>,<i>O</i>]bis(pyridine-κ<i>N</i>)nickel(II) pyridine disolvate
Authors of publication	Ali, Hapipah M.; Abdul Halim, Siti Nadiah; Ng, Seik Weng
Journal of publication	Acta Crystallographica Section E
Year of publication	2005
Journal volume	61
Journal issue	9
Pages of publication	m1682 - m1683
a	19.369 ± 0.003 Å
b	15.515 ± 0.002 Å
c	17.246 ± 0.003 Å
α	90°
β	93.72 ± 0.01°
γ	90°
Cell volume	5171.7 ± 1.4 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 3 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.059
Residual factor for significantly intense reflections	0.038
Weighted residual factors for significantly intense reflections	0.101
Weighted residual factors for all reflections included in the refinement	0.111
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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