A novel triazidoruthenium(iii) building block for the construction of polynuclear compounds
Xiang, Jing; Jia, Li-Hui; Man, Wai-Lun; Qian, Kang; Lee, Gene-Hsiang; Peng, Shie-Ming; Yiu, Shek-Man; Gao, Song; Lau, Tai-Chu; Dalton Transactions 41 (2012) 5794–; doi:10.1039/c2dt11810f

data_7018800
_publ_section_title
;
 A novel triazidoruthenium(iii) building block for the construction of
 polynuclear compounds
;
_journal_issue                   19
_journal_name_full               'Dalton Transactions'
_journal_page_first              5794
_journal_paper_doi               10.1039/c2dt11810f
_journal_volume                  41
_journal_year                    2012
_chemical_formula_moiety
'2(C6.5 H4 N5 O Ru0.5), C H2 Cl2, 2(C24 H20 P)'
_chemical_formula_sum            'C62 H51 Cl2 N10 O2 P2 Ru'
_chemical_formula_weight         1202.04
_chemical_name_systematic
;
?
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           11
_space_group_name_Hall           '-P 2yb'
_space_group_name_H-M_alt        'P 1 21/m 1'
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             2011-07-05
_audit_creation_method
;
Olex2 1.1
(compiled 2011.02.15 svn.r1672, GUI svn.r3494)
;
_cell_angle_alpha                90.00
_cell_angle_beta                 104.704(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   9.80700(10)
_cell_length_b                   24.4502(3)
_cell_length_c                   12.8128(2)
_cell_measurement_reflns_used    7340
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      71.4283
_cell_measurement_theta_min      6.2598
_cell_volume                     2971.68(7)
_computing_molecular_graphics
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_detector_area_resol_mean 16.1270
_diffrn_measured_fraction_theta_full 0.965
_diffrn_measured_fraction_theta_max 0.965
_diffrn_measurement_device_type  'Xcalibur, Sapphire3, Gemini ultra'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0204
_diffrn_reflns_av_unetI/netI     0.0214
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            9020
_diffrn_reflns_theta_full        67.00
_diffrn_reflns_theta_max         67.00
_diffrn_reflns_theta_min         6.26
_diffrn_source                   'Ultra (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    3.882
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.59564
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.33.2 (release 28-02-2008 CrysAlis171 .NET)
(compiled Feb 28 2008,18:34:21)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.343
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1234
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.31
_exptl_crystal_size_min          0.06
_refine_diff_density_max         1.304
_refine_diff_density_min         -0.353
_refine_diff_density_rms         0.100
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.090
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     544
_refine_ls_number_reflns         5246
_refine_ls_number_restraints     239
_refine_ls_restrained_S_all      1.079
_refine_ls_R_factor_all          0.0602
_refine_ls_R_factor_gt           0.0564
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1098P)^2^+5.0127P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1711
_refine_ls_wR_factor_ref         0.1741
_reflns_number_gt                4840
_reflns_number_total             5246
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2dt11810f.txt
_cod_data_source_block           101008a_xj
_cod_original_cell_volume        2971.67(7)
_cod_database_code               7018800