2-η^3^-Allyl-1,1,1-tricarbonyl-μ-(η^1^:η^6^-diphenylmethyl)chromiumpalladium(<i>Pd</i>‒<i>Cr</i>) at 130 K
Kalinin, V. N.; Cherepanov, I. A.; Moiseev, S. K.; Dolgushin, F. M.; Yanovsky, A. I.; Struchkov, Yu. T.; Acta Crystallographica Section C 49 (1993) 805–808; doi:10.1107/S0108270192011223

data_2001818
_publ_contact_author
;
Dr. Alexander I. Yanovsky
Institute of Organoelement Compounds
28 Vavilov St.,
Moscow 117813
Russia
;
_publ_section_title
;2-\h^3^-Allyl-1,1,1-tricarbonyl-\m-(\h^1^:\h^6^-diphenylmethyl)chromiumpalladium(<i>Pd</i>--<i>Cr</i>)
 at 130 K
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              805
_journal_page_last               808
_journal_paper_doi               10.1107/S0108270192011223
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         'C19 H16 Cr O3 Pd'
_chemical_formula_sum            'C19 H16 Cr O3 Pd'
_chemical_formula_weight         450.72
_chemical_name_systematic
;
\h^3^-allylpalladium-\m-(\h^1^:\h^6^-
diphenylmethyl)tricarbonylchromium
;
_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                118.180(10)
_cell_angle_beta                 90.26(2)
_cell_angle_gamma                92.37(2)
_cell_formula_units_Z            4
_cell_length_a                   11.470(2)
_cell_length_b                   12.645(3)
_cell_length_c                   13.027(3)
_cell_measurement_reflns_used    24
_cell_measurement_temperature    133.0(10)
_cell_measurement_theta_max      13.5
_cell_measurement_theta_min      13
_cell_volume                     1663.4(6)
_computing_structure_refinement  'SHELXL-92 (Sheldrick, 1992)'
_computing_structure_solution
'SHELXTL-PLUS, PC Version (Robinson & Sheldrick, 1988)'
_diffrn_ambient_temperature      133.0(10)
_diffrn_measurement_device       'Siemens P3/PC'
_diffrn_measurement_method       \q/2\q
_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  0.0134
_diffrn_reflns_av_sigmaI/netI    0.0227
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            7169
_diffrn_reflns_theta_max         27.06
_diffrn_reflns_theta_min         1.77
_diffrn_standards_decay_%        1.5
_diffrn_standards_interval_count 98
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    1.747
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            'light brown'
_exptl_crystal_density_diffrn    1.800
_exptl_crystal_description       'well-formed plates'
_exptl_crystal_F_000             892
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_refine_diff_density_max         0.30
_refine_diff_density_min         -0.24
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.044
_refine_ls_goodness_of_fit_obs   1.063
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           fullcycle
_refine_ls_number_parameters     597
_refine_ls_number_reflns         6781
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.095
_refine_ls_restrained_S_obs      1.063
_refine_ls_R_factor_all          0.0302
_refine_ls_R_factor_obs          '0.030 (on F)'
_refine_ls_shift/esd_max         0.054
_refine_ls_shift/esd_mean        0.006
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_scheme
; calc w = 1/[\s^2^(Fo^2^)+(0.0310P)^2^+1.0337P]
where P = (F~o~^2^+2F~c~^2^)/3
;
_refine_ls_wR_factor_all         0.0623
_refine_ls_wR_factor_obs         '0.063 (on F^2^)'
_reflns_number_observed          6032
_reflns_number_total             6796
_reflns_observed_criterion       >2\s(I)
_cod_data_source_file            mu1029.cif
_cod_data_source_block           pdcrmo
_cod_database_code               2001818