A zinc‒lanthanum carboxylate complex, [LaZn~2~<i>L</i>~6~(NO~3~)(bipy)~2~] (<i>L</i> = α-methylacrylate and bipy = 2,2'-bipyridine)
Zhu, Yue; Lu, Wei-Min; Chen, Fang; Acta Crystallographica Section E 60 (2004) m963–m965; doi:10.1107/S1600536804013613

data_2203967
_publ_section_title
;
 A zinc--lanthanum carboxylate complex,
 [LaZn~2~<i>L</i>~6~(NO~3~)(bipy)~2~] (<i>L</i> = \a-methylacrylate and
 bipy = 2,2'-bipyridine)
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m963
_journal_page_last               m965
_journal_paper_doi               10.1107/S1600536804013613
_journal_volume                  60
_journal_year                    2004
_chemical_formula_iupac          '[La Zn2 (C4 H5 O2)6 (N O3) (C10 H8 N2)2]'
_chemical_formula_moiety         'C44 H46 La N5 O15 Zn2'
_chemical_formula_sum            'C44 H46 La N5 O15 Zn2'
_chemical_formula_weight         1154.51
_chemical_name_systematic
;
tris-(\m-\a-methylacrylato-1:2\k^2^O:O')tris-(\m-\a-methylacrylato-
2:3\k^2^O:O')(2,2'-bipyridine-1\k^2^N,N')(2,2'-bipyridine-3\k^2^N,N')(nitro-
3\k^2^O,O')dizinc(II)lanthanum(III)
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_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_method           SHELXL97
_cell_angle_alpha                104.3600(10)
_cell_angle_beta                 98.7950(10)
_cell_angle_gamma                100.214(2)
_cell_formula_units_Z            2
_cell_length_a                   11.3171(3)
_cell_length_b                   13.9042(4)
_cell_length_c                   16.4290(5)
_cell_measurement_reflns_used    8912
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      1.3
_cell_volume                     2411.61(12)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       'PROCESS-AUTO (Rigaku Corporation, 1998)'
_computing_data_reduction
'CrystalStructure (Rigaku/MSC and Rigaku Corporation, 2002)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR92 (Altomare et al., 1993)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.942
_diffrn_measured_fraction_theta_max 0.942
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.020
_diffrn_reflns_av_sigmaI/netI    0.025
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            13497
_diffrn_reflns_theta_full        25.2
_diffrn_reflns_theta_max         25.2
_diffrn_reflns_theta_min         1.3
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.93
_exptl_absorpt_correction_T_max  0.677
_exptl_absorpt_correction_T_min  0.599
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1995)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.590
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    .
_exptl_crystal_description       chunk
_exptl_crystal_F_000             1164
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.01
_refine_diff_density_min         -0.95
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.03
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     604
_refine_ls_number_reflns         8229
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.03
_refine_ls_R_factor_all          0.044
_refine_ls_R_factor_gt           0.033
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0642P)^2^+1.7743P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.086
_refine_ls_wR_factor_ref         0.101
_reflns_number_gt                6983
_reflns_number_total             8229
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ya6208.cif
_cod_data_source_block           I
_cod_original_cell_volume        2411.60(10)
_cod_database_code               2203967
_cod_database_fobs_code          2203967