C11N4 crystallizes in the orthorhombic P222 space group. There are six 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 corner-sharing CC2N2 tetrahedra. In the second C site, C(2) is bonded to four equivalent N(1) atoms to form corner-sharing CN4 tetrahedra. In the third C site, C(3) is bonded in a distorted bent 120 degrees geometry to two equivalent C(4) and two equivalent N(1) atoms. In the fourth C site, C(4) is bonded to one C(1), one C(3), one C(5), and one C(6) atom to form a mixture of distorted corner and edge-sharing CC4 tetrahedra. In the fifth C site, C(5) is bonded in a 6-coordinate geometry to two equivalent C(6) and four equivalent C(4) atoms. In the sixth C site, C(6) is bonded in a 6-coordinate geometry to two equivalent C(5) and four equivalent C(4) atoms. N(1) is bonded in a trigonal non-coplanar geometry to one C(1), one C(2), and one C(3) atom.
C11N4 crystallizes in the orthorhombic P222 space group. There are six 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 corner-sharing CC2N2 tetrahedra. Both C(1)-C(4) bond lengths are 1.58 Å. Both C(1)-N(1) bond lengths are 1.53 Å. In the second C site, C(2) is bonded to four equivalent N(1) atoms to form corner-sharing CN4 tetrahedra. All C(2)-N(1) bond lengths are 1.48 Å. In the third C site, C(3) is bonded in a distorted bent 120 degrees geometry to two equivalent C(4) and two equivalent N(1) atoms. Both C(3)-C(4) bond lengths are 1.55 Å. Both C(3)-N(1) bond lengths are 1.49 Å. In the fourth C site, C(4) is bonded to one C(1), one C(3), one C(5), and one C(6) atom to form a mixture of distorted corner and edge-sharing CC4 tetrahedra. The C(4)-C(5) bond length is 1.61 Å. The C(4)-C(6) bond length is 1.55 Å. In the fifth C site, C(5) is bonded in a 6-coordinate geometry to two equivalent C(6) and four equivalent C(4) atoms. Both C(5)-C(6) bond lengths are 1.79 Å. In the sixth C site, C(6) is bonded in a 6-coordinate geometry to two equivalent C(5) and four equivalent C(4) atoms. N(1) is bonded in a trigonal non-coplanar geometry to one C(1), one C(2), and one C(3) atom.