Porous coordination network, method for preparing sample for crystal structure analysis, and method for determining molecular structure

A porous coordination network which has a three-dimensional network structure and in which pores capable of encapsulating guest molecules are formed,

• the porous coordination network comprising a crystal structure having a unit structure represented by any one of following formulas (I) to (VIII):
• where M2+ represents a divalent metal ion, M3+ represents a trivalent metal ion,
• L1a and L1b represent tridentate ligands having hexaazaphenalenyl,
• L1a− represents a first ligand ion of a following formula (1), or a first ligand ion in which 1 to 12 hydrogen atoms of an aromatic ring of the formula (1) are each independently replaced by a group selected from an alkyl group having 1 to 4 carbon atoms, a halogen, a hydroxyl group, and an amino group,
• L1b3− represents a first ligand ion represented by a following formula (2), or a first ligand ion in which 1 to 12 hydrogen atoms of an aromatic ring of the formula (2) are each independently replaced by a group selected from an alkyl group having 1 to 4 carbon atoms, a halogen, a hydroxyl group, and an amino group,
• L2a represents a bidentate ligand containing two or more carboxy groups,
• L2a2− represents a second ligand ion in which two of the carboxy groups are coordinated to the metal ion as carboxylate anions,
• L2b represents a tridentate ligand containing three or more carboxy groups,
• L2b3− represents a second ligand ion in which three of the carboxy groups are coordinated to the metal ion as carboxylate anions,
• L3− represents a third ligand ion that is an anion of triazole or a triazole derivative,
• Y represents a cation, p represents 1/(charge of Y), and
• a solvent is optionally further coordinated to the unit structures of formulas (I) to (VII).