Molecular Zirconium Nitride Super Base from a Mononuclear Parent Imide.
Grant, Lauren N.; Pinter, Balazs; Gu, Jun; Mindiola, Daniel J.; Journal of the American Chemical Society 140 (2018) 17399–17403; doi:10.1021/jacs.8b11198

data_4133565
_publ_section_title
;
 Molecular Zirconium Nitride Super Base from a Mononuclear Parent Imide.
;
_journal_issue                   50
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              17399
_journal_page_last               17403
_journal_paper_doi               10.1021/jacs.8b11198
_journal_volume                  140
_journal_year                    2018
_chemical_formula_moiety         'C44 H62 N8 P2 Zr'
_chemical_formula_sum            'C44 H62 N8 P2 Zr'
_chemical_formula_weight         856.17
_space_group_crystal_system      orthorhombic
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_space_group_name_Hall           '-P 2ac 2ab'
_space_group_name_H-M_alt        'P b c a'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_audit_creation_date             2018-09-18
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
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_cell_angle_gamma                90
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_cell_measurement_temperature    100
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_cell_measurement_theta_min      2.82
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_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device       'CCD Area Detector'
_diffrn_measurement_device_type  'Bruker D8QUEST'
_diffrn_measurement_method       '\w and \f scans'
_diffrn_radiation_monochromator  graphite
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_diffrn_reflns_Laue_measured_fraction_full 0.998
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_diffrn_reflns_limit_l_min       -41
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_diffrn_source                   'sealed tube'
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_exptl_crystal_colour            yellow
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0347P)^2^+14.1620P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     'I > 2\s(I)'
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_shelx_shelxl_version_number     2014/7