A porous coordination network catalyzes an olefin isomerization reaction in the pore.
Ohara, Kazuaki; Kawano, Masaki; Inokuma, Yasuhide; Fujita, Makoto; Journal of the American Chemical Society 132 (2010) 30–31; doi:10.1021/ja908794n

data_4101638
_publ_contact_author             'Makoto Fujita'
_publ_contact_author_email       mfujita@appchem.t.u-tokyo.ac.jp
_publ_section_title
;
 A porous coordination network catalyzes an olefin isomerization reaction
 in the pore.
;
_journal_issue                   1
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              30
_journal_page_last               31
_journal_paper_doi               10.1021/ja908794n
_journal_volume                  132
_journal_year                    2010
_chemical_formula_sum            'C56.57 H58.44 I6 N12 O0.56 Zn3'
_chemical_formula_weight         1872.90
_chemical_name_systematic
; 
 ? 
;
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_symmetry_space_group_name_Hall  '-C 2yc'
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_atom_sites_solution_secondary   difmap
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_cell_angle_gamma                90.00
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_computing_data_collection       'Rigaku Crystal Clear'
_computing_data_reduction        HKL2000
_computing_molecular_graphics    'Bruker XP'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      80(2)
_diffrn_measured_fraction_theta_full 0.928
_diffrn_measured_fraction_theta_max 0.928
_diffrn_measurement_device_type  CCD
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_diffrn_radiation_monochromator  Si
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_diffrn_radiation_type           Synchrotron
_diffrn_radiation_wavelength     0.68890
_diffrn_reflns_av_R_equivalents  0.0491
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_diffrn_reflns_limit_h_max       47
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_diffrn_reflns_limit_k_min       -19
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_diffrn_standards_decay_%        none
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_exptl_absorpt_correction_T_max  0.7364
_exptl_absorpt_correction_T_min  0.5617
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   none
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.562
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0792P)^2^+291.8945P] where P=(Fo^2^+2Fc^2^)/3'
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_cod_database_code               4101638