Tunable emission from a porous metal-organic framework by employing an excited-state intramolecular proton transfer responsive ligand.
Jayaramulu, K.; Kanoo, Prakash; George, Subi J.; Maji, Tapas Kumar; Chemical communications (Cambridge, England) 46 (2010) 7906–7908; doi:10.1039/c0cc02069a

data_7105639
_publ_section_title
;
 Tunable emission from a porous metal-organic framework by employing an
 excited-state intramolecular proton transfer responsive ligand.
;
_journal_issue                   42
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              7906
_journal_page_last               7908
_journal_paper_doi               10.1039/c0cc02069a
_journal_volume                  46
_journal_year                    2010
_chemical_formula_sum            'C14 H18 Mg N2 O8'
_chemical_formula_weight         366.61
_chemical_name_systematic
;
?
;
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_atom_sites_solution_primary     direct
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_cell_angle_alpha                90.00
_cell_angle_beta                 114.296(3)
_cell_angle_gamma                90.00
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_cell_length_c                   9.5856(9)
_cell_measurement_temperature    150(2)
_cell_volume                     1678.5(3)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker,2000)'
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_computing_publication_material  'PLATON (Spek, 2003)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR-92 (Altomare et al. 1994)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_radiation_monochromator  graphite
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_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            5363
_diffrn_reflns_theta_full        20.55
_diffrn_reflns_theta_max         20.55
_diffrn_reflns_theta_min         2.20
_exptl_absorpt_coefficient_mu    0.152
_exptl_absorpt_correction_T_max  0.9883
_exptl_absorpt_correction_T_min  0.8093
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            'light yellow'
_exptl_crystal_density_diffrn    1.451
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'square block'
_exptl_crystal_F_000             768
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.08
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_refine_ls_R_factor_all          0.0787
_refine_ls_R_factor_gt           0.0692
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1086P)^2^+16.1984P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1852
_refine_ls_wR_factor_ref         0.1950
_reflns_number_gt                713
_reflns_number_total             846
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            C0CC02069A.TXT
_cod_data_source_block           complex1
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

 Adding full bibliography for 7105639.cif.
;
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7105639