Exploring the System Lanthanide/Succinate in the Formation of Porous Metal‒Organic Frameworks: Experimental and Theoretical Study
D’Vries, Richard F.; Camps, Ihosvany; Ellena, Javier; Crystal Growth & Design 15 (2015) 3015–; doi:10.1021/acs.cgd.5b00426

data_4512964
_publ_section_title
;
 Exploring the System Lanthanide/Succinate in the Formation of Porous
 Metal--Organic Frameworks: Experimental and Theoretical Study
;
_journal_issue                   6
_journal_name_full               'Crystal Growth &amp; Design'
_journal_page_first              3015
_journal_paper_doi               10.1021/acs.cgd.5b00426
_journal_volume                  15
_journal_year                    2015
_chemical_formula_moiety         'C12 H16 Gd2 O14'
_chemical_formula_sum            'C12 H16 Gd2 O14'
_chemical_formula_weight         698.75
_chemical_name_systematic
;
 ?
;
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_space_group_name_Hall           '-P 1'
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_cell_angle_gamma                99.580(3)
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_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      293(2)
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_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       'CCD rotation images, thick slices'
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_diffrn_reflns_laue_measured_fraction_full 0.999
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_diffrn_reflns_point_group_measured_fraction_full 0.999
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_diffrn_reflns_theta_max         26.182
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_diffrn_source                   'Enraf Nonius FR590'
_exptl_absorpt_coefficient_mu    6.592
_exptl_absorpt_correction_T_max  0.806
_exptl_absorpt_correction_T_min  0.730
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_exptl_absorpt_process_details
;
 R.H. Blessing, Acta Cryst. (1995), A51, 33-38
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.263
_exptl_crystal_description       Prism
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_exptl_crystal_size_max          0.200
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_refine_diff_density_rms         0.595
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
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_refine_ls_R_factor_all          0.1661
_refine_ls_R_factor_gt           0.1365
_refine_ls_shift/su_max          0.025
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1531P)^2^+183.0459P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_Friedel_coverage         0.000
_reflns_number_gt                3212
_reflns_number_total             4063
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments
'Adding full bibliography for 4512902--4512966.cif.'
_cod_database_code               4512964
_shelx_estimated_absorpt_t_min   0.352
_shelx_estimated_absorpt_t_max   0.931
_shelxl_version_number           2013-4
_shelx_res_checksum              60149
_shelx_hkl_checksum              94148
_shelx_fab_checksum              74483