Double-step CO2 sorption and guest-induced single-crystal-to-single-crystal transformation in a flexible porous framework.
Wu, Wei-Ping; Li, Zhi-Sen; Liu, Bo; Liu, Ping; Xi, Zheng-Ping; Wang, Yao-Yu; Dalton transactions (Cambridge, England : 2003) 44 (2015) 10141–10145; doi:10.1039/c5dt00460h

data_7034943
_publ_section_title
;
 Double-step CO2 sorption and guest-induced
 single-crystal-to-single-crystal transformation in a flexible porous
 framework.
;
_journal_issue                   22
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              10141
_journal_page_last               10145
_journal_paper_doi               10.1039/c5dt00460h
_journal_volume                  44
_journal_year                    2015
_chemical_formula_sum            'C36 H44 Cu2 N6 O13'
_chemical_formula_weight         895.85
_space_group_crystal_system      triclinic
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_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2015-03-17 deposited with the CCDC.
2015-04-28 downloaded from the CCDC.
;
_cell_angle_alpha                99.393(8)
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_cell_measurement_temperature    293(2)
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_cell_volume                     1022.3(8)
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_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  graphite
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_diffrn_reflns_laue_measured_fraction_full 0.996
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_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.1000P)^2^+1.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_ref         0.1730
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_reflns_number_gt                3762
_reflns_number_total             5055
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c5dt00460h2.cif
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_cod_depositor_comments
'Adding full bibliography for 7034943--7034944.cif.'
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_shelx_res_checksum              15109