Shedding light on the photochemistry of coinage-metal phosphorescent materials: a time-resolved laue diffraction study of an ag(i)-cu(i) tetranuclear complex.
Jarzembska, Katarzyna N.; Kamiński, Radosław; Fournier, Bertrand; Trzop, Elżbieta; Sokolow, Jesse D.; Henning, Robert; Chen, Yang; Coppens, Philip; Inorganic chemistry 53 (2014) 10594–10601; doi:10.1021/ic501696y

data_4341109
_publ_section_title
;
 Shedding light on the photochemistry of coinage-metal phosphorescent
 materials: a time-resolved laue diffraction study of an ag(i)-cu(i)
 tetranuclear complex.
;
_journal_issue                   19
_journal_name_full               'Inorganic chemistry'
_journal_page_first              10594
_journal_page_last               10601
_journal_paper_doi               10.1021/ic501696y
_journal_volume                  53
_journal_year                    2014
_chemical_formula_moiety         'C84 H68 Ag2 Cu2 N4 P4'
_chemical_formula_sum            'C84 H68 Ag2 Cu2 N4 P4'
_chemical_formula_weight         1600.22
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                76.3912(3)
_cell_angle_beta                 81.5811(3)
_cell_angle_gamma                66.8814(3)
_cell_formula_units_Z            2
_cell_length_a                   12.6106(2)
_cell_length_b                   14.1988(3)
_cell_length_c                   22.0662(4)
_cell_measurement_temperature    90
_cell_volume                     3525.30(11)
_diffrn_ambient_temperature      90
_diffrn_measured_fraction_theta_full 0.98
_diffrn_measured_fraction_theta_max 0.94
_diffrn_measurement_device
;
Bruker AXS APEX II diffractometer
;
_diffrn_measurement_device_type  'APEX II CCD detector'
_diffrn_measurement_method       \w-scans
_diffrn_radiation_monochromator  'multi-layer optics'
_diffrn_radiation_source         'TXS rotating anode'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0427
_diffrn_reflns_av_sigmaI/netI    0.059
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            98372
_diffrn_reflns_theta_full        34.23
_diffrn_reflns_theta_max         34.965
_diffrn_reflns_theta_min         1.590
_exptl_absorpt_coefficient_mu    1.283
_exptl_absorpt_correction_T_max  0.852
_exptl_absorpt_correction_T_min  0.816
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
 Absorption correction done by SORTAV
 Blessing, R. H.: (1995) Acta Cryst. A51, 33-38
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.507
_exptl_crystal_description       unspecified
_exptl_crystal_F_000             1624
_exptl_crystal_size_max          0.09
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.35
_refine_diff_density_min         -0.99
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_gt    1.10
_refine_ls_goodness_of_fit_ref   1.03
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_constraints    272
_refine_ls_number_parameters     865
_refine_ls_number_reflns         29066
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0476
_refine_ls_R_factor_gt           0.0281
_refine_ls_shift/su_max          0.0151
_refine_ls_shift/su_mean         0.0005
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
w=1/(\s^2^(I)+0.0004I^2^)
;
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_gt          0.0652
_refine_ls_wR_factor_ref         0.0741
_reflns_number_gt                19848
_reflns_number_total             29066
_reflns_threshold_expression     I>3\s(I)
_cod_data_source_file            ic501696y_si_002.cif
_cod_data_source_block           agcu-90K
_cod_depositor_comments          'Adding full bibliography for 4341109.cif.'
_cod_database_code               4341109