Layered inorganic-organic frameworks based on the 2,2-dimethylsuccinate ligand: structural diversity and its effect on nanosheet exfoliation and magnetic properties.
Saines, Paul J.; Tan, Jin-Chong; Yeung, Hamish H.-M.; Barton, Phillip T.; Cheetham, Anthony K.; Dalton transactions (Cambridge, England : 2003) 41 (2012) 8585–8593; doi:10.1039/c2dt30648d

data_7019580
_publ_section_title
;
 Layered inorganic-organic frameworks based on the 2,2-dimethylsuccinate
 ligand: structural diversity and its effect on nanosheet exfoliation and
 magnetic properties.
;
_journal_issue                   28
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              8585
_journal_page_last               8593
_journal_paper_doi               10.1039/c2dt30648d
_journal_volume                  41
_journal_year                    2012
_chemical_formula_moiety         'C36 H50 O26 Zn7'
_chemical_formula_sum            'C36 H50 O26 Zn7'
_chemical_formula_weight         1356.35
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     heavy
_atom_sites_solution_secondary   difmap
_audit_creation_date             2011-09-08T11:57:03-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                99.347(7)
_cell_angle_beta                 114.566(8)
_cell_angle_gamma                106.545(7)
_cell_formula_units_Z            1
_cell_length_a                   10.5108(8)
_cell_length_b                   11.5667(10)
_cell_length_c                   11.9714(10)
_cell_measurement_reflns_used    4648
_cell_measurement_temperature    121(2)
_cell_measurement_theta_max      29.1079
_cell_measurement_theta_min      3.0965
_cell_measurement_wavelength     0.71073
_cell_volume                     1201.3(2)
_computing_cell_refinement       'CrysAlisPro, Oxford Diffraction, 2010'
_computing_data_collection       'CrysAlisPro, Oxford Diffraction, 2010'
_computing_data_reduction        'CrysAlisPro, Oxford Diffraction, 2010'
_computing_molecular_graphics    'Diamond (Brandenburg 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'DIRDIF-2008 (Beurskens, 2008)'
_diffrn_ambient_temperature      121(2)
_diffrn_detector_area_resol_mean 16.1183
_diffrn_measured_fraction_theta_full 0.9984
_diffrn_measured_fraction_theta_max 0.849
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini ultra'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0268
_diffrn_reflns_av_unetI/netI     0.0419
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            10975
_diffrn_reflns_theta_full        26.32
_diffrn_reflns_theta_max         29.17
_diffrn_reflns_theta_min         3.1
_exptl_absorpt_coefficient_mu    3.521
_exptl_absorpt_correction_T_max  0.719
_exptl_absorpt_correction_T_min  0.393
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.34.49 (release 20-01-2011 CrysAlis171 .NET)
(compiled Jan 20 2011,15:58:25)
Analytical numeric absorption correction using a multifaceted crystal
model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.875
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             684
_exptl_crystal_size_max          0.3356
_exptl_crystal_size_mid          0.1302
_exptl_crystal_size_min          0.1082
_refine_diff_density_max         0.462
_refine_diff_density_min         -0.406
_refine_diff_density_rms         0.089
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     322
_refine_ls_number_reflns         5512
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.028
_refine_ls_R_factor_all          0.0361
_refine_ls_R_factor_gt           0.0267
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0161P)^2^+0.5478P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0537
_refine_ls_wR_factor_ref         0.0576
_reflns_number_gt                4703
_reflns_number_total             5512
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2dt30648d.txt
_cod_data_source_block           ZnDMS
_cod_original_cell_volume        1201.26(17)
_cod_database_code               7019580