The question is not fully clear. So you got the unit cell parameters determined for the compound you prepared and it was not matching any known structure in CSD? If yes, and you have crystals of sufficient quality, you should go and have complete data measured and solve the structure for sure. Maybe you got some other polymorph?

Dear Tapan Kumar Ghosh ,

MOF is susceptible to crystallization in a particular arrangement due to environmental conditions, such as ionic strength, pH, solubility limits, among others. Especially the organic component may assume different lower energy configurations due to external interactions. That's for sure you must consider complete structure solve procedure after carefully checking if the difference in lattice parameters may not be explained by some interlayer metal, such as interstitial substitution. You must be sure the already determined problem is not due to phase mixture by loose stoichiometry in the synthesis.

Best regards,

WNM

Hello Tapan,

Thank you for sharing your question with the RG community. I completely agree Michal Hegedus, a crystal that promises a good data set is always worth measuring if its cell parameters did not match structures in CSD.

It is possible and even common that when measuring two crystals of the same compound, the cell parameters can differ up to about 0.1 A or 0.5°. For this to happen, however, the quality of the cell determination must differ noticeably.

Thank you all for your valuable suggestion.