Xiao-Bin Fang

China Jiliang University

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Feng Niu

China Jiliang University

Jiaojiao He

Yunnan Agricultural University

Wen‐Xiang Chai

China Jiliang University

Haibo Yu

Sinochem Group (China)

Song Li

National Synchrotron Radiation Laboratory

Minna Cao

Fujian Institute of Research on the Structure of Matter

J. D. Wang

Li Song

Zhejiang Sci-Tech University

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University of Science and Technology of China

China Jiliang University

Chinese Academy of Sciences

Nankai University

Fujian Institute of Research on the Structure of Matter

University of Chinese Academy of Sciences

Fuzhou University

Beijing Normal University

Sinochem Group (China)

Shenyang Sinochem Agrochemicals R&D Co., Ltd. (China)

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CCDC 899053: Experimental Crystal Structure Determination

The Cambridge Structural Database (2012)

Jiaojiao He Wen‐Xiang Chai Song Li Feng Niu Xiao-Bin Fang

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

10.5517/ccz5jqc

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Diiodidobis(1,10-phenanthroline-kappa N-2,N ')cadmium(II)

Minna Cao Xiao-Bin Fang Haibo Yu J. D. Wang

The title compound, [CdI2(C12H8N2)(2)], consists of two 1,10-phenanthroline (phen) ligands, two I atoms and one Cd atom. The coordination geometry around the Cd atom, which lies on a twofold rotation axis, is slightly distorted octahedral. In the crystal structure, the dihedral angle between the two phen ligands is 89.03 (5)degrees. The crystal packing is stabilized by intermolecular pi-pi interactions of phen rings, with a parallel distance of 3.362 angstrom, a centroid-centroid distance of 3.903 angstrom and a slip distance of 1.983 angstrom, and C - H center dot center dot center dot I hydrogen bonding [I center dot center dot center dot H = 3.091 and 2.990 angstrom].

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A new potential NLO compound with a supramolecular layered structure: aqua(hexamethylenetetramine-κN)(iminodiacetato-κ³O,N,O′)copper(II)

Acta Crystallographica Section C Crystal Structure Communications (2012)

Jiaojiao He Wen‐Xiang Chai Li Song Feng Niu Xiao-Bin Fang

In the noncentrosymmetric title compound, [Cu(C(4)H(5)NO(4))(C(6)H(12)N(4))(H(2)O)] or [Cu(IDA)(HMTA)(H(2)O)], where IDA is iminodiacetate and HMTA is hexamethylenetetramine, the asymmetric unit consists of a whole mononuclear neutral molecule, where the Cu(II) cation is coordinated by two carboxylate O atoms and one N atom from the IDA ligand, by one N atom from the HMTA ligand and by the O atom of the coordinated water molecule, giving rise to a CuN(2)O(3) distorted square-pyramidal coordination geometry. The IDA and HTMA ligands adopt terminal tri- and monocoordinated modes, respectively. All adjacent molecules within the ac plane are connected to each other via two pairs of O-H···O and one N-H...O hydrogen bond, forming a (4,4) supramolecular two-dimensional network. In the unit cell, these layers stack alternately in an …ABABAB… sequence along the b axis. The optical absorption properties of this compound have been studied on powder samples, which had previously been examined by powder X-ray diffraction.

Hexamethylenetetramine

Carboxylate

10.1107/s0108270112028442

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