Sr2MgCuC(NO)2 crystallizes in the tetragonal P4/mmm space group. Sr(1) is bonded in a 4-coordinate geometry to one Mg(1) and four equivalent O(1) atoms. Mg(1) is bonded to two equivalent Sr(1) and four equivalent C(1) atoms to form MgSr2C4 octahedra that share corners with four equivalent Mg(1)Sr2C4 octahedra, corners with eight equivalent O(1)Sr4Cu2 octahedra, and edges with four equivalent Mg(1)Sr2C4 octahedra. The corner-sharing octahedral tilt angles range from 0-51°. Cu(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. C(1) is bonded in a linear geometry to four equivalent Mg(1) and two equivalent N(1) atoms. N(1) is bonded in a single-bond geometry to one C(1) atom. O(1) is bonded to four equivalent Sr(1) and two equivalent Cu(1) atoms to form OSr4Cu2 octahedra that share corners with two equivalent O(1)Sr4Cu2 octahedra, corners with four equivalent Mg(1)Sr2C4 octahedra, edges with two equivalent O(1)Sr4Cu2 octahedra, and faces with four equivalent O(1)Sr4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-51°.
Sr2MgCuC(NO)2 crystallizes in the tetragonal P4/mmm space group. Sr(1) is bonded in a 4-coordinate geometry to one Mg(1) and four equivalent O(1) atoms. The Sr(1)-Mg(1) bond length is 3.15 Å. All Sr(1)-O(1) bond lengths are 2.56 Å. Mg(1) is bonded to two equivalent Sr(1) and four equivalent C(1) atoms to form MgSr2C4 octahedra that share corners with four equivalent Mg(1)Sr2C4 octahedra, corners with eight equivalent O(1)Sr4Cu2 octahedra, and edges with four equivalent Mg(1)Sr2C4 octahedra. The corner-sharing octahedral tilt angles range from 0-51°. All Mg(1)-C(1) bond lengths are 2.82 Å. Cu(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. All Cu(1)-O(1) bond lengths are 1.99 Å. C(1) is bonded in a linear geometry to four equivalent Mg(1) and two equivalent N(1) atoms. Both C(1)-N(1) bond lengths are 1.26 Å. N(1) is bonded in a single-bond geometry to one C(1) atom. O(1) is bonded to four equivalent Sr(1) and two equivalent Cu(1) atoms to form OSr4Cu2 octahedra that share corners with two equivalent O(1)Sr4Cu2 octahedra, corners with four equivalent Mg(1)Sr2C4 octahedra, edges with two equivalent O(1)Sr4Cu2 octahedra, and faces with four equivalent O(1)Sr4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-51°.