Crystal structure of (2-{3-[4-(4'-cyanobiphenyl-4-yloxy)butoxy]pyridin-2-yl-κ<i>N</i>}-5-(dodecyloxy)phenyl-κ<i>C</i>^1^)(9-oxotetracos-7-en-7-olato-κ^2^<i>O</i>,<i>O</i>')platinum(II)
Luo, Kaijun; Liu, Hanlin; Guo, Qing; Luo, Daibing; Acta Crystallographica Section E 70 (2014) m392–m393; doi:10.1107/S1600536814021928

data_2240176
_publ_section_title
;
 Crystal structure of
 (2-{3-[4-(4'-cyanobiphenyl-4-yloxy)butoxy]pyridin-2-yl-\k<i>N</i>}-5-(dodecyloxy)phenyl-\k<i>C</i>^1^)(9-oxotetracos-7-en-7-olato-\k^2^<i>O</i>,<i>O</i>')platinum(II)
;
_journal_coeditor_code           VN2086
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m392
_journal_page_last               m393
_journal_paper_doi               10.1107/S1600536814021928
_journal_volume                  70
_journal_year                    2014
_chemical_formula_iupac          '[Pt (C40 H47 N2 O3) (C24 H45 O2)]'
_chemical_formula_moiety         'C64 H92 N2 O5 Pt'
_chemical_formula_sum            'C64 H92 N2 O5 Pt'
_chemical_formula_weight         1164.49
_chemical_name_systematic
(2-{3-[4-(4'-Cyanobiphenyl-4-yloxy)butoxy]pyridin-2-yl-\k<i>N</i>}-5-(dodecyloxy)phenyl-\k<i>C</i>^1^)(9-oxotetracos-7-en-7-olato-\k^2^<i>O</i>,<i>O</i>')platinum(II)
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                88.215(3)
_cell_angle_beta                 78.816(3)
_cell_angle_gamma                83.072(3)
_cell_formula_units_Z            2
_cell_length_a                   8.4938(3)
_cell_length_b                   18.9062(7)
_cell_length_c                   19.9303(7)
_cell_measurement_reflns_used    6800
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.1425
_cell_measurement_theta_min      2.9435
_cell_volume                     3116.7(2)
_computing_cell_refinement
'<i>CrysAlisPro</i> (Oxford Diffraction, 2007)'
_computing_data_collection
;
<i>CrysAlisPro</i> (Oxford Diffraction, 2007)
;
_computing_data_reduction
'<i>CrysAlisPro</i> (Oxford Diffraction, 2007)'
_computing_molecular_graphics
;
OLEX2 (Dolomanov <i>et al.</i>,  2009)
;
_computing_publication_material
;
OLEX2 (Dolomanov <i>et al.</i>,  2009)
;
_computing_structure_refinement
;
SHELXL (Sheldrick, 2008)
;
_computing_structure_solution
;
SHELXS-97 (Sheldrick, 2008)
;
_diffrn_ambient_temperature      293.15
_diffrn_detector_area_resol_mean 16.0874
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Oxford Diffraction Xcalibur, Eos'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.0441
_diffrn_reflns_av_sigmaI/netI    0.0719
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            25616
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         3.09
_exptl_absorpt_coefficient_mu    2.297
_exptl_absorpt_correction_T_max  0.8557
_exptl_absorpt_correction_T_min  0.6201
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(<i>CrysAlisPro</i>; Oxford Diffraction, 2007)
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.241
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1216
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.07
_refine_diff_density_max         1.424
_refine_diff_density_min         -0.590
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     609
_refine_ls_number_reflns         10933
_refine_ls_number_restraints     50
_refine_ls_restrained_S_all      1.028
_refine_ls_R_factor_all          0.0975
_refine_ls_R_factor_gt           0.0611
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
calc w=1/[\s^2^(Fo^2^)+(0.0717P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1308
_refine_ls_wR_factor_ref         0.1521
_reflns_number_gt                7310
_reflns_number_total             10933
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            vn2086sup1.cf
_cod_data_source_block           I
_cod_original_cell_volume        3116.71(19)
_cod_database_code               2240176
_cod_database_fobs_code          2240176