LMucko/crystallography-open-database huggingface dataset:
X-ray and 13C NMR studies on a Ru(IV) allyl complex. An explanation for the observed control of regioselectivity in allylic alkylation chemistry.
R. Hermatschweiler; I. Fernandez; P. S. Pregosin; E. Watson; A. Albinati; S. Rizzato; L. F. Veiros; M. J. Calhorda; Organometallics  (2005) –; doi:10.1021/om049057a

data_4060351
_publ_section_title
;
 X-ray and 13C NMR studies on a Ru(IV) allyl complex. An explanation for
 the observed control of regioselectivity in allylic alkylation chemistry.
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049057a
_journal_year                    2005
_chemical_formula_sum            'C21 H27 Cl F6 N P Ru'
_chemical_formula_weight         574.93
_chemical_name_common            '[Ru(Cp*)Cl(CH3CN)(eta3-Ph-CHCHCH2)](PF6)'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 104.605(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.8085(13)
_cell_length_b                   15.1804(17)
_cell_length_c                   13.4054(16)
_cell_measurement_temperature    120(2)
_cell_volume                     2325.4(5)
_diffrn_ambient_temperature      120(2)
_exptl_crystal_density_diffrn    1.642
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4060351
X-ray and 13C NMR studies on a Ru(IV) allyl complex. An explanation for the observed control of regioselectivity in allylic alkylation chemistry.
R. Hermatschweiler; I. Fernandez; P. S. Pregosin; E. Watson; A. Albinati; S. Rizzato; L. F. Veiros; M. J. Calhorda; Organometallics  (2005) –; doi:10.1021/om0490583

data_4060352
_publ_section_title
;
 X-ray and 13C NMR studies on a Ru(IV) allyl complex. An explanation for
 the observed control of regioselectivity in allylic alkylation chemistry.
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0490583
_journal_year                    2005
_chemical_formula_sum            'C42 H67 N O1.5 P2 Ti'
_chemical_formula_weight         719.81
_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                83.219(3)
_cell_angle_beta                 67.760(2)
_cell_angle_gamma                79.903(3)
_cell_formula_units_Z            2
_cell_length_a                   12.2209(11)
_cell_length_b                   12.4617(11)
_cell_length_c                   15.4714(15)
_cell_measurement_temperature    118(2)
_cell_volume                     2143.7(3)
_diffrn_ambient_temperature      118(2)
_exptl_crystal_density_diffrn    1.115
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_formula_sum        'C42 H67 N O1.50 P2 Ti'
_cod_database_code               4060352
X-ray and 13C NMR studies on a Ru(IV) allyl complex. An explanation for the observed control of regioselectivity in allylic alkylation chemistry.
R. Hermatschweiler; I. Fernandez; P. S. Pregosin; E. Watson; A. Albinati; S. Rizzato; L. F. Veiros; M. J. Calhorda; Organometallics  (2005) –; doi:10.1021/om0490583

data_4060353
_publ_section_title
;
 X-ray and 13C NMR studies on a Ru(IV) allyl complex. An explanation for
 the observed control of regioselectivity in allylic alkylation chemistry.
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0490583
_journal_year                    2005
_chemical_formula_sum            'C32 H50 F3 N O3 P2 S Ti'
_chemical_formula_weight         695.63
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 103.524(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.823(2)
_cell_length_b                   20.914(6)
_cell_length_c                   18.009(5)
_cell_volume                     3597.4(16)
_diffrn_ambient_temperature      122(2)
_exptl_crystal_density_diffrn    1.284
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4060353
X-ray and 13C NMR studies on a Ru(IV) allyl complex. An explanation for the observed control of regioselectivity in allylic alkylation chemistry.
R. Hermatschweiler; I. Fernandez; P. S. Pregosin; E. Watson; A. Albinati; S. Rizzato; L. F. Veiros; M. J. Calhorda; Organometallics  (2005) –; doi:10.1021/om0490583

data_4060354
_publ_section_title
;
 X-ray and 13C NMR studies on a Ru(IV) allyl complex. An explanation for
 the observed control of regioselectivity in allylic alkylation chemistry.
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0490583
_journal_year                    2005
_chemical_formula_sum            'C54 H92 N P3 Ti'
_chemical_formula_weight         896.10
_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                107.202(2)
_cell_angle_beta                 103.737(2)
_cell_angle_gamma                95.098(2)
_cell_formula_units_Z            2
_cell_length_a                   10.4954(10)
_cell_length_b                   14.5554(14)
_cell_length_c                   19.3081(18)
_cell_measurement_temperature    125(2)
_cell_volume                     2696.5(4)
_diffrn_ambient_temperature      125(2)
_exptl_crystal_density_diffrn    1.104
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               4060354
X-ray and 13C NMR studies on a Ru(IV) allyl complex. An explanation for the observed control of regioselectivity in allylic alkylation chemistry.
R. Hermatschweiler; I. Fernandez; P. S. Pregosin; E. Watson; A. Albinati; S. Rizzato; L. F. Veiros; M. J. Calhorda; Organometallics  (2005) –; doi:10.1021/om0490583

data_4060355
_publ_section_title
;
 X-ray and 13C NMR studies on a Ru(IV) allyl complex. An explanation for
 the observed control of regioselectivity in allylic alkylation chemistry.
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0490583
_journal_year                    2005
_chemical_formula_sum            'C43 H66 N2 P2 Ti'
_chemical_formula_weight         720.82
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.807(7)
_cell_length_b                   16.571(12)
_cell_length_c                   21.743(15)
_cell_measurement_temperature    125(2)
_cell_volume                     4254(5)
_diffrn_ambient_temperature      125(2)
_exptl_crystal_density_diffrn    1.125
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               4060355
X-ray and 13C NMR studies on a Ru(IV) allyl complex. An explanation for the observed control of regioselectivity in allylic alkylation chemistry.
R. Hermatschweiler; I. Fernandez; P. S. Pregosin; E. Watson; A. Albinati; S. Rizzato; L. F. Veiros; M. J. Calhorda; Organometallics  (2005) –; doi:10.1021/om0490637

data_4060356
_publ_section_title
;
 X-ray and 13C NMR studies on a Ru(IV) allyl complex. An explanation for
 the observed control of regioselectivity in allylic alkylation chemistry.
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0490637
_journal_year                    2005
_chemical_formula_sum            'C16 H14 Fe'
_chemical_formula_weight         262.12
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 103.094(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.1566(17)
_cell_length_b                   7.6311(9)
_cell_length_c                   11.8956(14)
_cell_measurement_temperature    293(2)
_cell_volume                     1251.7(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.391
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4060356
X-ray and 13C NMR studies on a Ru(IV) allyl complex. An explanation for the observed control of regioselectivity in allylic alkylation chemistry.
R. Hermatschweiler; I. Fernandez; P. S. Pregosin; E. Watson; A. Albinati; S. Rizzato; L. F. Veiros; M. J. Calhorda; Organometallics  (2005) –; doi:10.1021/om0490637

data_4060357
_publ_section_title
;
 X-ray and 13C NMR studies on a Ru(IV) allyl complex. An explanation for
 the observed control of regioselectivity in allylic alkylation chemistry.
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0490637
_journal_year                    2005
_chemical_formula_sum            'C26 H43 Cl Fe O P3 Ru'
_chemical_formula_weight         656.88
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 112.050(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.467(3)
_cell_length_b                   14.134(3)
_cell_length_c                   16.930(3)
_cell_measurement_temperature    100(2)
_cell_volume                     2986.5(10)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.461
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4060357
Photochemistry of 1-Isopropylcycloalkyl Aryl Ketones: Ring Size Effects, Medium Effects, and Asymmetric Induction
Xia, Wujiong; Scheffer, John R.; Botoshansky, Mark; Kaftory, Menahem; Organic Letters 7 (2005) 1315–1318; doi:10.1021/ol050104k

data_4060358
_publ_section_title
;
 Photochemistry of 1-Isopropylcycloalkyl Aryl Ketones:
 Ring Size Effects, Medium Effects, and Asymmetric Induction
;
_journal_coden_ASTM              ORLEF7
_journal_issue                   7
_journal_name_full               'Organic Letters'
_journal_page_first              1315
_journal_page_last               1318
_journal_paper_doi               10.1021/ol050104k
_journal_volume                  7
_journal_year                    2005
_chemical_absolute_configuration syn
_chemical_formula_moiety         'C17 H21 O3, C8 H12 N'
_chemical_formula_sum            'C25 H33 N O3'
_chemical_formula_weight         395.52
_chemical_name_common            Canada-12
_space_group_IT_number           5
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 92.22(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   48.05(1)
_cell_length_b                   6.381(1)
_cell_length_c                   14.630(3)
_cell_measurement_temperature    293(2)
_cell_volume                     4482.3(15)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.172
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

 Updated bibliographic information.

 Antanas Vaitkus,
 2019-10-10
;
_cod_original_sg_symbol_H-M      'C 2'
_cod_database_code               4060358
Photochemistry of 1-Isopropylcycloalkyl Aryl Ketones: Ring Size Effects, Medium Effects, and Asymmetric Induction
Xia, Wujiong; Scheffer, John R.; Botoshansky, Mark; Kaftory, Menahem; Organic Letters 7 (2005) 1315–1318; doi:10.1021/ol050104k

data_4060359
_publ_section_title
;
 Photochemistry of 1-Isopropylcycloalkyl Aryl Ketones:
 Ring Size Effects, Medium Effects, and Asymmetric Induction
;
_journal_coden_ASTM              ORLEF7
_journal_issue                   7
_journal_name_full               'Organic Letters'
_journal_page_first              1315
_journal_page_last               1318
_journal_paper_doi               10.1021/ol050104k
_journal_volume                  7
_journal_year                    2005
_chemical_absolute_configuration syn
_chemical_formula_moiety         'C17 H21 O3, C9 H14 N'
_chemical_formula_sum            'C26 H35 N O3'
_chemical_formula_weight         409.55
_chemical_name_common            'Canada-11 XW-168'
_space_group_IT_number           19
_space_group_name_Hall           'P 2ac 2ab'
_space_group_name_H-M_alt        'P 21 21 21'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.807(3)
_cell_length_b                   6.340(1)
_cell_length_c                   26.961(5)
_cell_measurement_temperature    293(2)
_cell_volume                     2360.1(8)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.153
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

 Updated bibliographic information.

 Antanas Vaitkus,
 2019-10-10
;
_cod_database_code               4060359
Photochemistry of 1-Isopropylcycloalkyl Aryl Ketones: Ring Size Effects, Medium Effects, and Asymmetric Induction
Xia, Wujiong; Scheffer, John R.; Botoshansky, Mark; Kaftory, Menahem; Organic Letters 7 (2005) 1315–1318; doi:10.1021/ol050104k

data_4060360
_publ_section_title
;
 Photochemistry of 1-Isopropylcycloalkyl Aryl Ketones:
 Ring Size Effects, Medium Effects, and Asymmetric Induction
;
_journal_coden_ASTM              ORLEF7
_journal_issue                   7
_journal_name_full               'Organic Letters'
_journal_page_first              1315
_journal_page_last               1318
_journal_paper_doi               10.1021/ol050104k
_journal_volume                  7
_journal_year                    2005
_chemical_formula_moiety         'C17 H22 O3'
_chemical_formula_sum            'C17 H22 O3'
_chemical_formula_weight         274.35
_chemical_name_common            XW-174-2
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                76.90(2)
_cell_angle_beta                 81.73(2)
_cell_angle_gamma                68.40(2)
_cell_formula_units_Z            2
_cell_length_a                   6.279(1)
_cell_length_b                   8.183(2)
_cell_length_c                   16.506(3)
_cell_measurement_temperature    293(2)
_cell_volume                     766.3(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.189
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

 Updated bibliographic information.

 Antanas Vaitkus,
 2019-10-10
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4060360
Photochemistry of 1-Isopropylcycloalkyl Aryl Ketones: Ring Size Effects, Medium Effects, and Asymmetric Induction
Xia, Wujiong; Scheffer, John R.; Botoshansky, Mark; Kaftory, Menahem; Organic Letters 7 (2005) 1315–1318; doi:10.1021/ol050104k

data_4060361
_publ_section_title
;
 Photochemistry of 1-Isopropylcycloalkyl Aryl Ketones:
 Ring Size Effects, Medium Effects, and Asymmetric Induction
;
_journal_coden_ASTM              ORLEF7
_journal_issue                   7
_journal_name_full               'Organic Letters'
_journal_page_first              1315
_journal_page_last               1318
_journal_paper_doi               10.1021/ol050104k
_journal_volume                  7
_journal_year                    2005
_chemical_absolute_configuration syn
_chemical_formula_moiety         'C18 H23 O3, C9 H14 N'
_chemical_formula_sum            'C27 H37 N O3'
_chemical_formula_weight         423.58
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 111.01(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   14.050(3)
_cell_length_b                   6.380(1)
_cell_length_c                   14.914(3)
_cell_measurement_temperature    293(2)
_cell_volume                     1248.0(4)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.127
_cod_depositor_comments
;
 Updated bibliographic information.

 Antanas Vaitkus,
 2019-10-10
;
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               4060361
Lee, Hon Man; Organometallics  (2005) –; doi:10.1021/om049070v

data_4060362
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049070v
_journal_year                    2005
_chemical_formula_moiety         'C62 H60 Ag3 Cl N4 P4, 2(N O3)'
_chemical_formula_sum            'C62 H60 Ag3 Cl N6 O6 P4'
_chemical_formula_weight         1468.10
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 106.215(17)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   18.543(8)
_cell_length_b                   14.980(5)
_cell_length_c                   23.226(8)
_cell_measurement_temperature    273(2)
_cell_volume                     6195(4)
_diffrn_ambient_temperature      273(2)
_exptl_crystal_density_diffrn    1.574
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4060362
Lee, Hon Man; Organometallics  (2005) –; doi:10.1021/om049070v

data_4060363
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049070v
_journal_year                    2005
_chemical_formula_moiety
'C127 H127 Ag6 Cl2 N11 O7 P8, 2(C3 H7 N O), 2(N O3)'
_chemical_formula_sum            'C133 H141 Ag6 Cl2 N15 O15 P8'
_chemical_formula_weight         3155.49
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_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                65.55(3)
_cell_angle_beta                 66.36(2)
_cell_angle_gamma                87.31(3)
_cell_formula_units_Z            1
_cell_length_a                   15.023(7)
_cell_length_b                   15.734(8)
_cell_length_c                   17.460(8)
_cell_measurement_temperature    273(2)
_cell_volume                     3406(3)
_diffrn_ambient_temperature      273(2)
_exptl_crystal_density_diffrn    1.538
_cod_database_code               4060363
Lee, Hon Man; Organometallics  (2005) –; doi:10.1021/om049070v

data_4060364
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049070v
_journal_year                    2005
_chemical_formula_sum            'C62 H60 Cl4 N4 P4 Ru2'
_chemical_formula_weight         1328.96
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 92.846(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.096(3)
_cell_length_b                   18.891(4)
_cell_length_c                   25.927(6)
_cell_measurement_temperature    571(2)
_cell_volume                     6896(3)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    1.280
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4060364