A snapshot of a coordination polymer self-assembly process: the crystallization of a metastable 3D network followed by the spontaneous transformation in water to a 2D pseudopolymorphic phase.
Bataille, Thierry; Costantino, Ferdinando; Ienco, Andrea; Guerri, Annalisa; Marmottini, Fabio; Midollini, Stefano; Chemical communications (Cambridge, England)  (2008) 6381–6383; doi:10.1039/b813222d

data_7103591
_publ_section_title
;
 A snapshot of a coordination polymer self-assembly process: the
 crystallization of a metastable 3D network followed by the spontaneous
 transformation in water to a 2D pseudopolymorphic phase.
;
_journal_issue                   47
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              6381
_journal_page_last               6383
_journal_paper_doi               10.1039/b813222d
_journal_year                    2008
_chemical_compound_source        'synthesis as describe'
_chemical_formula_moiety         'C24 H30 Cu N2 O8 P2'
_chemical_formula_structural     'C24 H30 Cu N2 O8 P2'
_chemical_formula_sum            'C24 H30 Cu N2 O8 P2'
_chemical_formula_weight         599.98
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             2008-06-20T10:21:50-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 107.253(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.6204(5)
_cell_length_b                   22.0127(7)
_cell_length_c                   11.9398(5)
_cell_measurement_reflns_used    3875
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.6089
_cell_measurement_theta_min      3.8683
_cell_volume                     2665.73(19)
_computing_cell_refinement
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.31.2 (release 07-07-2006 CrysAlis171 .NET)
(compiled Jul 10 2006,00:11:42)
;
_computing_data_collection
;
CrysAlis CCD, Oxford Diffraction Ltd.,
Version 1.171.31.2 (release 07-07-2006 CrysAlis171 .NET)
(compiled Jul 10 2006,00:11:42)
;
_computing_data_reduction
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.31.2 (release 07-07-2006 CrysAlis171 .NET)
(compiled Jul 10 2006,00:11:42)
;
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
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_diffrn_ambient_temperature      293(2)
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_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Xcalibur3 4 circles diffractometer'
_diffrn_measurement_method       '\w scans'
_diffrn_orient_matrix_UB_11      0.0054099605
_diffrn_orient_matrix_UB_12      0.0271537006
_diffrn_orient_matrix_UB_13      -0.0297954622
_diffrn_orient_matrix_UB_21      0.0421761855
_diffrn_orient_matrix_UB_22      -0.0147871121
_diffrn_orient_matrix_UB_23      -0.0272744005
_diffrn_orient_matrix_UB_31      -0.0552036305
_diffrn_orient_matrix_UB_32      -0.0086262273
_diffrn_orient_matrix_UB_33      -0.0470110805
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
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_exptl_absorpt_coefficient_mu    0.989
_exptl_absorpt_correction_T_max  0.9951
_exptl_absorpt_correction_T_min  0.9756
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.31.2 (release 07-07-2006 CrysAlis171 .NET)
(compiled Jul 10 2006,00:11:42)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.495
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1244
_exptl_crystal_size_max          0.04
_exptl_crystal_size_mid          0.01
_exptl_crystal_size_min          0.005
_refine_diff_density_max         0.41
_refine_diff_density_min         -0.36
_refine_diff_density_rms         0.078
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.061
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     334
_refine_ls_number_reflns         3505
_refine_ls_number_restraints     8
_refine_ls_restrained_S_all      1.06
_refine_ls_R_factor_all          0.0994
_refine_ls_R_factor_gt           0.0534
_refine_ls_shift/su_max          0.011
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0421P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.09
_refine_ls_wR_factor_ref         0.1062
_reflns_number_gt                2322
_reflns_number_total             3505
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b813222d.txt
_cod_data_source_block           2
_cod_database_code               7103591