Synthesis and Crystal Structure of Trans-diaquabis(hexamethylenetetramine-N)bis(isothiocyanato)cobal

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The synthesis and crystal structure of [Co(NCS)2(hmt)2(H2- O)2]穂Co(NCS)2(H2O)4]?H2O (hmt = hexamethylenetetramine) are reported. The crystal belongs to triclinic, space group P with unit cell parameters: a = 7.917(1), b = 9.023(1), c = 12.877(1) ? ?= 94.21(1), = 96.68(1), ?= 115.42(1)? C16H40Co2N12O8S4, Mr = 774.7, V = 817.33 3, Z = 1, Dc = 1.574 g/cm3, F(000) = 402 and (MoK? = 1.328mm-1. The final values of R and wR are 0.0251 and 0.0598, respectively, for 2545 observed reflections with I > 2(I). Each Co atom is in an octahedral coordination environment, and the independent uncharged components [Co(NCS)2(hmt)2(H2O)2], [Co(NCS)2(H2O)4] and H2O are linked together by three kinds of hydrogen bonds (O(2)H贩種(3) and O(3)H贩種(2), O(1)H贩稯(4) and O(3)H贩稯(4), O(2)H贩稴(2) and O(4)H贩稴(1)) to form a three-dimensional supramolecular architecture. The synthesis and crystal structure of [Co (NCS) 2 (hmt) 2 (H 2 O) 2] 穂 Co (NCS) 2 (H 2 O) 4] space group P with unit cell parameters: a = 7.917 (1), b = 9.023 (1), c = 12.877 (1) =? 94.21 (1) = 96.68 (1)? = 115.42 (1)? C16H40Co2N12O8S4 The final values ​​of R and wR are 0.0251 and 0.0598, respectively. The final values ​​of R and wR are 0.0251 and 0.0598, respectively, and V = 817.33 3, Z = 1, Dc = 1.574 g / cm3, , for 2545 observed reflections with I> 2 (I). Each Co atom is in an octahedral coordination environment, and the independent uncharged components [Co (NCS) 2 (hmt) 2 (H2O) 4] and H2O are linked together by three kinds of hydrogen bonds (O (2) H Trafficking (3) and O (3) H Trafficking (2), O O (3) H 稯 稯 (4), O (2) H 稴 稴 (2) and O (4) H 稴 稴 (1)) to form a three-dimensional supramolecular architecture.
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