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_7019579
_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_compound_source        'synthesis as described'
_chemical_formula_moiety         'C12 H18 Co3 O10'
_chemical_formula_sum            'C12 H18 Co3 O10'
_chemical_formula_weight         499.0632
_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             2011-04-26T17:39:00-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                73.604(5)
_cell_angle_beta                 81.487(4)
_cell_angle_gamma                84.066(3)
_cell_formula_units_Z            2
_cell_length_a                   5.7864(2)
_cell_length_b                   12.1514(6)
_cell_length_c                   12.1524(7)
_cell_measurement_reflns_used    4276
_cell_measurement_temperature    121(2)
_cell_measurement_theta_max      29.2461
_cell_measurement_theta_min      3.4604
_cell_measurement_wavelength     0.71073
_cell_volume                     808.98(7)
_computing_cell_refinement       'CrysAlisPro (Oxford Diffraction Ltd, 2010)'
_computing_data_collection       'CrysAlisPro (Oxford Diffraction Ltd, 2010)'
_computing_data_reduction        'CrysAlisPro (Oxford Diffraction Ltd, 2010)'
_computing_molecular_graphics    'Diamond (Brandenburg 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'DIRDIF-2008 (Beurskens, 2008)'
_diffrn_ambient_temperature      121(2)
_diffrn_detector_area_resol_mean 16.1183
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.84
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini ultra'
_diffrn_measurement_method       '\w scans'
_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  0.0289
_diffrn_reflns_av_unetI/netI     0.0449
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            7261
_diffrn_reflns_theta_full        26.32
_diffrn_reflns_theta_max         29.31
_diffrn_reflns_theta_min         3.47
_exptl_absorpt_coefficient_mu    3.092
_exptl_absorpt_correction_T_max  0.876
_exptl_absorpt_correction_T_min  0.554
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.44 (release 25-10-2010 CrysAlis171 .NET)
(compiled Oct 25 2010,18:11:34)
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            purple
_exptl_crystal_density_diffrn    2.049
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       blade
_exptl_crystal_F_000             502
_exptl_crystal_size_max          0.398
_exptl_crystal_size_mid          0.105
_exptl_crystal_size_min          0.057
_refine_diff_density_max         2.155
_refine_diff_density_min         -0.852
_refine_diff_density_rms         0.182
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.147
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     239
_refine_ls_number_reflns         3706
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.146
_refine_ls_R_factor_all          0.0637
_refine_ls_R_factor_gt           0.0533
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0451P)^2^+7.2123P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.137
_refine_ls_wR_factor_ref         0.1432
_reflns_number_gt                3140
_reflns_number_total             3706
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2dt30648d.txt
_cod_data_source_block           CoDMS2
_cod_database_code               7019579