Synthesis and X-ray diffraction structures of novel half-sandwich Os(ii)-and Ru(ii)-hydroxamate complexes
Godó, Attila J.; Bényei, Attila Cs.; Duff, Brian; Egan, Denise A.; Buglyó, Péter; RSC Adv. 2 (2012) 1486–; doi:10.1039/C1RA00998B

data_7238473
_publ_section_title
;
 Synthesis and X-ray diffraction structures of novel half-sandwich
 Os(ii)-and Ru(ii)-hydroxamate complexes
;
_journal_issue                   4
_journal_name_full               'RSC Adv.'
_journal_page_first              1486
_journal_paper_doi               10.1039/C1RA00998B
_journal_volume                  2
_journal_year                    2012
_chemical_formula_moiety         'C13 H20 Cl1 N1 O2 Os1'
_chemical_formula_sum            'C13 H20 Cl N O2 Os'
_chemical_formula_weight         447.95
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
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_symmetry_space_group_name_H-M   'P 1 21/c 1'
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_cell_angle_alpha                90
_cell_angle_beta                 100.934(3)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   16.0879(6)
_cell_length_b                   10.0754(4)
_cell_length_c                   17.8788(6)
_cell_measurement_reflns_used    5880
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      29.2051
_cell_measurement_theta_min      3.0718
_cell_volume                     2845.40(18)
_computing_cell_refinement
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CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.64 (release 22-03-2010 CrysAlis171 .NET)
(compiled Mar 22 2010,13:57:49)
;
_computing_data_collection
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CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.64 (release 22-03-2010 CrysAlis171 .NET)
(compiled Mar 22 2010,13:57:49)
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_computing_data_reduction
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CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.64 (release 22-03-2010 CrysAlis171 .NET)
(compiled Mar 22 2010,13:57:49)
;
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
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_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 16.1695
_diffrn_measured_fraction_theta_full 0.997
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_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini ultra'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.043
_diffrn_reflns_av_unetI/netI     0.0684
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_diffrn_reflns_limit_h_min       -13
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_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            11078
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_exptl_absorpt_coefficient_mu    9.144
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_exptl_absorpt_correction_T_min  0.604
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_exptl_absorpt_process_details
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CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.64 (release 22-03-2010 CrysAlis171 .NET)
(compiled Mar 22 2010,13:57:49)
Analytical numeric absorption correction using a multifaceted crystal
model based on expressions derived by R.C. Clark & J.S.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
;
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    2.091
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1712
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.1557
_exptl_crystal_size_min          0.0603
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_refine_ls_matrix_type           full
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_refine_ls_number_reflns         5185
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.866
_refine_ls_R_factor_all          0.0405
_refine_ls_R_factor_gt           0.0281
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0139P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.05
_reflns_number_gt                4003
_reflns_number_total             5185
_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            c1ra00998b.txt
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