C11N4 crystallizes in the tetragonal P-42m space group. There are five inequivalent C sites. In the first C site, C(1) is bonded to two equivalent C(4) and two equivalent N(1) atoms to form distorted CC2N2 tetrahedra that share corners with two equivalent C(2)C4 tetrahedra, corners with two equivalent C(3)C4 tetrahedra, corners with two equivalent C(5)N4 tetrahedra, and corners with four equivalent C(1)C2N2 tetrahedra. In the second C site, C(2) is bonded to four equivalent C(4) atoms to form CC4 tetrahedra that share corners with four equivalent C(3)C4 tetrahedra and corners with eight equivalent C(1)C2N2 tetrahedra. In the third C site, C(3) is bonded to four equivalent C(4) atoms to form CC4 tetrahedra that share corners with four equivalent C(2)C4 tetrahedra and corners with eight equivalent C(1)C2N2 tetrahedra. In the fourth C site, C(4) is bonded to one C(2), one C(3), and two equivalent C(1) atoms to form corner-sharing CC4 tetrahedra. In the fifth C site, C(5) is bonded to four equivalent N(1) atoms to form corner-sharing CN4 tetrahedra. N(1) is bonded in a trigonal non-coplanar geometry to one C(5) and two equivalent C(1) atoms.
C11N4 crystallizes in the tetragonal P-42m space group. There are five inequivalent C sites. In the first C site, C(1) is bonded to two equivalent C(4) and two equivalent N(1) atoms to form distorted CC2N2 tetrahedra that share corners with two equivalent C(2)C4 tetrahedra, corners with two equivalent C(3)C4 tetrahedra, corners with two equivalent C(5)N4 tetrahedra, and corners with four equivalent C(1)C2N2 tetrahedra. Both C(1)-C(4) bond lengths are 1.54 Å. Both C(1)-N(1) bond lengths are 1.50 Å. In the second C site, C(2) is bonded to four equivalent C(4) atoms to form CC4 tetrahedra that share corners with four equivalent C(3)C4 tetrahedra and corners with eight equivalent C(1)C2N2 tetrahedra. All C(2)-C(4) bond lengths are 1.56 Å. In the third C site, C(3) is bonded to four equivalent C(4) atoms to form CC4 tetrahedra that share corners with four equivalent C(2)C4 tetrahedra and corners with eight equivalent C(1)C2N2 tetrahedra. All C(3)-C(4) bond lengths are 1.52 Å. In the fourth C site, C(4) is bonded to one C(2), one C(3), and two equivalent C(1) atoms to form corner-sharing CC4 tetrahedra. In the fifth C site, C(5) is bonded to four equivalent N(1) atoms to form corner-sharing CN4 tetrahedra. All C(5)-N(1) bond lengths are 1.47 Å. N(1) is bonded in a trigonal non-coplanar geometry to one C(5) and two equivalent C(1) atoms.