(2,2-Bipyridyl)bis(η^5^-pentamethylcyclopentadienyl)strontium(II)
Kazhdan, Daniel; Hu, Yung-Jin; Kokai, Akos; Levi, Zerubba; Rozenel, Sergio; Acta Crystallographica Section E 64 (2008) m1134–; doi:10.1107/S1600536808024677

data_2219462
_publ_section_title
;
 (2,2-Bipyridyl)bis(\h^5^-pentamethylcyclopentadienyl)strontium(II)
;
_journal_coeditor_code           WW2113
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1134
_journal_paper_doi               10.1107/S1600536808024677
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac          '[Sr (C10 H15)2 (C10 H8 N2)]'
_chemical_formula_moiety         'C30 H38 N2 Sr'
_chemical_formula_sum            'C30 H38 N2 Sr'
_chemical_formula_weight         514.26
_chemical_name_systematic
;
(2,2-Bipyridyl)bis(\h^5^-pentamethylcyclopentadienyl)strontium(II)
;
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   15.5489(9)
_cell_length_b                   16.7821(9)
_cell_length_c                   20.5610(10)
_cell_measurement_reflns_used    5093
_cell_measurement_temperature    168.2
_cell_measurement_theta_max      25.2
_cell_measurement_theta_min      2.4
_cell_volume                     5365.3(5)
_computing_cell_refinement       'SAINT (Bruker, 2002)'
_computing_data_collection       'SMART (Bruker, 1999)'
_computing_data_reduction        'SAINT (Bruker, 2002)'
_computing_molecular_graphics    'TEXSAN (MSC/Rigaku, 1998)'
_computing_publication_material  'TEXSAN (MSC/Rigaku, 1998)'
_computing_structure_refinement  'TEXSAN (MSC/Rigaku, 1998)'
_computing_structure_solution    'SIR97 (Altomare <i>et al.</i>,  1999)'
_diffrn_measured_fraction_theta_full 0.9993
_diffrn_measured_fraction_theta_max 0.9993
_diffrn_measurement_device_type  'Bruker APEX CCD'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.034
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            30804
_diffrn_reflns_theta_full        26.37
_diffrn_reflns_theta_max         26.37
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.026
_exptl_absorpt_correction_T_max  0.941
_exptl_absorpt_correction_T_min  0.772
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Blessing, 1995)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.273
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             2160.00
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.090
_exptl_crystal_size_min          0.030
_refine_diff_density_max         0.53
_refine_diff_density_min         -0.30
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.566
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     298
_refine_ls_number_reflns         3494
_refine_ls_R_factor_all          0.0676
_refine_ls_R_factor_gt           0.0337
_refine_ls_shift/su_max          0.0015
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00022|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.0439
_refine_ls_wR_factor_ref         0.0385
_reflns_number_gt                3494
_reflns_number_total             5478
_reflns_threshold_expression     F^2^>3\s(F^2^)
_cod_data_source_file            ww2113.cif
_cod_data_source_block           I
_cod_original_cell_volume        5365.4(5)
_cod_database_code               2219462
_cod_database_fobs_code          2219462