Efficient fixation of atmospheric CO2 as carbonate by lanthanide-based complex via synergistic effect of zinc ion.
Zhang, Bin; Zheng, Xiaodu; Su, Hao; Zhu, Yu; Du, Chenxia; Song, Maoping; Dalton transactions (Cambridge, England : 2003) 42 (2013) 8571–8574; doi:10.1039/c3dt50230a

data_7021412
_publ_section_title
;
 Efficient fixation of atmospheric CO2 as carbonate by lanthanide-based
 complex via synergistic effect of zinc ion.
;
_journal_issue                   24
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              8571
_journal_page_last               8574
_journal_paper_doi               10.1039/c3dt50230a
_journal_volume                  42
_journal_year                    2013
_chemical_formula_moiety         'C41 H40 Eu2 N4 O17 Zn2, C2 H6 O'
_chemical_formula_sum            'C43 H46 Eu2 N4 O18 Zn2'
_chemical_formula_weight         1341.50
_chemical_name_systematic
;
?
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_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   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             2012-12-21
_audit_creation_method
;
Olex2 1.1
(compiled 2011.11.01 svn.r2039, GUI svn.r3906)
;
_cell_angle_alpha                109.520(4)
_cell_angle_beta                 93.854(4)
_cell_angle_gamma                115.671(4)
_cell_formula_units_Z            2
_cell_length_a                   14.7702(5)
_cell_length_b                   14.9866(6)
_cell_length_c                   15.7271(8)
_cell_measurement_reflns_used    5005
_cell_measurement_temperature    291(2)
_cell_measurement_theta_max      26.3153
_cell_measurement_theta_min      3.0138
_cell_volume                     2863.8(3)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.15 (release 03-08-2011 CrysAlis171 .NET)
(compiled Aug 3 2011,13:03:54)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.15 (release 03-08-2011 CrysAlis171 .NET)
(compiled Aug 3 2011,13:03:54)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.15 (release 03-08-2011 CrysAlis171 .NET)
(compiled Aug 3 2011,13:03:54)
;
_computing_molecular_graphics
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement
;
XL, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_computing_structure_solution
;
XS, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_diffrn_ambient_temperature      291.15
_diffrn_detector_area_resol_mean 16.2312
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_details
;
1 omega -18.00 22.00 1.0000 64.9600
omega____ theta____ kappa____ phi______ frames
- -17.1323 -99.0000 -180.0000 40
2 omega -24.00 7.00 1.0000 64.9600
omega____ theta____ kappa____ phi______ frames
- 19.8666 -99.0000 150.0000 31
3 omega -37.00 61.00 1.0000 64.9600
omega____ theta____ kappa____ phi______ frames
- 19.8666 -19.0000 120.0000 98
4 omega 5.00 84.00 1.0000 64.9600
omega____ theta____ kappa____ phi______ frames
- 19.8666 57.0000 90.0000 79
5 omega -1.00 56.00 1.0000 64.9600
omega____ theta____ kappa____ phi______ frames
- 19.8666 57.0000 30.0000 57
6 omega 18.00 48.00 1.0000 64.9600
omega____ theta____ kappa____ phi______ frames
- 19.8666 -99.0000 150.0000 30
7 omega -2.00 89.00 1.0000 64.9600
omega____ theta____ kappa____ phi______ frames
- 19.8666 57.0000 -60.0000 91
;
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini'
_diffrn_measurement_method       '\w scans'
_diffrn_orient_matrix_UB_11      -0.0033319000
_diffrn_orient_matrix_UB_12      0.0036866000
_diffrn_orient_matrix_UB_13      0.0457642000
_diffrn_orient_matrix_UB_21      0.0187743000
_diffrn_orient_matrix_UB_22      -0.0373609000
_diffrn_orient_matrix_UB_23      -0.0052476000
_diffrn_orient_matrix_UB_31      0.0516561000
_diffrn_orient_matrix_UB_32      0.0434931000
_diffrn_orient_matrix_UB_33      0.0180154000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.0523
_diffrn_reflns_av_unetI/netI     0.0781
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            22603
_diffrn_reflns_theta_full        26.35
_diffrn_reflns_theta_max         26.35
_diffrn_reflns_theta_min         3.02
_diffrn_source                   'Enhance (Mo) X-ray Source'
_diffrn_source_current           n/a
_diffrn_source_voltage           n/a
_exptl_absorpt_coefficient_mu    3.052
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.50637
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.15 (release 03-08-2011 CrysAlis171 .NET)
(compiled Aug 3 2011,13:03:54)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.556
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             1324
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.276
_refine_diff_density_min         -0.867
_refine_diff_density_rms         0.105
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     648
_refine_ls_number_reflns         11620
_refine_ls_number_restraints     89
_refine_ls_restrained_S_all      1.042
_refine_ls_R_factor_all          0.0951
_refine_ls_R_factor_gt           0.0524
_refine_ls_shift/su_max          0.007
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0515P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1213
_refine_ls_wR_factor_ref         0.1373
_reflns_number_gt                6762
_reflns_number_total             11620
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3dt50230a.txt
_cod_data_source_block           sha409
_cod_original_cell_volume        2863.8(2)
_cod_database_code               7021412
_reflns_odcompleteness_completeness 99.73
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32