LMucko/crystallography-open-database huggingface dataset:
Benzene C-H Activation by Platinum(II) Complexes of Bis(2-diphenylphosphinophenyl)amide
Lan-Chang Liang; Wei-Ying Lee; Jia-Ming Lin; Chemical Communications  (2005) –; doi:10.1039/b501520k

data_7100449
_publ_section_title
;
Benzene C-H Activation by Platinum(II) Complexes of
Bis(2-diphenylphosphinophenyl)amide
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b501520k
_journal_year                    2005
_chemical_formula_sum            'C49 H41 F3 N2 O3 P2 Pt S'
_chemical_formula_weight         1051.93
_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                 105.9800(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.1140(2)
_cell_length_b                   17.6950(3)
_cell_length_c                   16.9010(3)
_cell_measurement_temperature    293(2)
_cell_volume                     4345.38(12)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.608
_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               7100449
Benzene C-H Activation by Platinum(II) Complexes of Bis(2-diphenylphosphinophenyl)amide
Lan-Chang Liang; Wei-Ying Lee; Jia-Ming Lin; Chemical Communications  (2005) –; doi:10.1039/b501520k

data_7100450
_publ_section_title
;
Benzene C-H Activation by Platinum(II) Complexes of
Bis(2-diphenylphosphinophenyl)amide
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b501520k
_journal_year                    2005
_chemical_formula_moiety         'C37 H31 N1 P2 Pt1'
_chemical_formula_sum            'C37 H31 N P2 Pt'
_chemical_formula_weight         746.66
_space_group_IT_number           43
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'F -2d 2'
_symmetry_space_group_name_H-M   'F 2 d d'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   9.9610(2)
_cell_length_b                   18.6010(4)
_cell_length_c                   32.7250(9)
_cell_measurement_temperature    293(2)
_cell_volume                     6063.4(2)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.636
_cod_database_code               7100450
Benzene C-H Activation by Platinum(II) Complexes of Bis(2-diphenylphosphinophenyl)amide
Lan-Chang Liang; Wei-Ying Lee; Jia-Ming Lin; Chemical Communications  (2005) –; doi:10.1039/b501520k

data_7100451
_publ_section_title
;
Benzene C-H Activation by Platinum(II) Complexes of
Bis(2-diphenylphosphinophenyl)amide
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b501520k
_journal_year                    2005
_chemical_formula_moiety         'C66 H58 Cl1 N1 P2 Pt1'
_chemical_formula_sum            'C66 H58 Cl N P2 Pt'
_chemical_formula_weight         1157.61
_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                 104.5820(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.3780(5)
_cell_length_b                   12.7050(4)
_cell_length_c                   25.5550(7)
_cell_measurement_temperature    100(2)
_cell_volume                     5460.5(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.408
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7100451
Thermal solid state synthesis of coordination complexes from hydrogen bonded precursors.
A. Orpen; Christopher J. Adams; Paul C. Crawford; Thomas J. Podesta; Benjamin Salt; Chemical Communications  (2005) –; doi:10.1039/b501555c

data_7100452
_publ_section_title
;
Thermal solid state synthesis of coordination
complexes from hydrogen bonded precursors.
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b501555c
_journal_year                    2005
_chemical_formula_sum            'C12 H16 Cl4 N2 Pt'
_chemical_formula_weight         525.16
_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                102.459(11)
_cell_angle_beta                 91.078(11)
_cell_angle_gamma                114.901(11)
_cell_formula_units_Z            2
_cell_length_a                   7.430(6)
_cell_length_b                   8.401(6)
_cell_length_c                   14.686(11)
_cell_measurement_temperature    173(2)
_cell_volume                     805.7(10)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    2.165
_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               7100452
Thermal solid state synthesis of coordination complexes from hydrogen bonded precursors.
A. Orpen; Christopher J. Adams; Paul C. Crawford; Thomas J. Podesta; Benjamin Salt; Chemical Communications  (2005) –; doi:10.1039/b501555c

data_7100453
_publ_section_title
;
Thermal solid state synthesis of coordination
complexes from hydrogen bonded precursors.
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b501555c
_journal_year                    2005
_chemical_formula_moiety         '2(C6 H8 N), Cl4 Pd'
_chemical_formula_sum            'C12 H16 Cl4 N2 Pd'
_chemical_formula_weight         436.47
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 112.81(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.592(3)
_cell_length_b                   11.311(3)
_cell_length_c                   7.4277(17)
_cell_measurement_temperature    173(2)
_cell_volume                     820.3(4)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.767
_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      'C 2/m'
_cod_database_code               7100453
Thermal solid state synthesis of coordination complexes from hydrogen bonded precursors.
A. Orpen; Christopher J. Adams; Paul C. Crawford; Thomas J. Podesta; Benjamin Salt; Chemical Communications  (2005) –; doi:10.1039/b501555c

data_7100454
_publ_section_title
;
Thermal solid state synthesis of coordination
complexes from hydrogen bonded precursors.
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b501555c
_journal_year                    2005
_chemical_formula_sum            'C12 H15 Cl3 N2 Pt'
_chemical_formula_weight         488.70
_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                 102.73(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.5223(19)
_cell_length_b                   16.206(3)
_cell_length_c                   9.6271(19)
_cell_measurement_temperature    100(2)
_cell_volume                     1449.1(5)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    2.240
_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               7100454
Thermal solid state synthesis of coordination complexes from hydrogen bonded precursors.
A. Orpen; Christopher J. Adams; Paul C. Crawford; Thomas J. Podesta; Benjamin Salt; Chemical Communications  (2005) –; doi:10.1039/b501555c

data_7100455
_publ_section_title
;
Thermal solid state synthesis of coordination
complexes from hydrogen bonded precursors.
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b501555c
_journal_year                    2005
_chemical_formula_moiety         'C12 H14 Cl2 N2 Pd'
_chemical_formula_sum            'C12 H14 Cl2 N2 Pd'
_chemical_formula_weight         363.55
_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                 98.73(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.461(2)
_cell_length_b                   3.9775(8)
_cell_length_c                   15.911(3)
_cell_measurement_temperature    100(2)
_cell_volume                     654.4(2)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.845
_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               7100455
Enantio-specific inclusion of chiral 1,2-dichloroethane rotamers in the crystal lattice of chiral square-pyramidal Cu(II) complexes with perfectly polar alignment of guest and host molecules
Samudranil Pal; Vamsee Krishna Muppidi; Panthappally S. Zacharias; Chemical Communications  (2005) –; doi:10.1039/b501642h

data_7100456
_publ_section_title
;
Enantio-specific inclusion of chiral
1,2-dichloroethane rotamers in the crystal lattice of chiral
square-pyramidal Cu(II) complexes with perfectly polar alignment of
guest and host molecules
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b501642h
_journal_year                    2005
_chemical_formula_sum            'C32 H36 Cl2 Cu N4 O7'
_chemical_formula_weight         723.09
_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                 128.6480(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   20.2834(12)
_cell_length_b                   8.1769(5)
_cell_length_c                   12.8766(7)
_cell_measurement_temperature    293(2)
_cell_volume                     1667.94(17)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.440
_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      'C 2'
_cod_database_code               7100456
Enantio-specific inclusion of chiral 1,2-dichloroethane rotamers in the crystal lattice of chiral square-pyramidal Cu(II) complexes with perfectly polar alignment of guest and host molecules
Samudranil Pal; Vamsee Krishna Muppidi; Panthappally S. Zacharias; Chemical Communications  (2005) –; doi:10.1039/b501642h

data_7100457
_publ_section_title
;
Enantio-specific inclusion of chiral
1,2-dichloroethane rotamers in the crystal lattice of chiral
square-pyramidal Cu(II) complexes with perfectly polar alignment of
guest and host molecules
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b501642h
_journal_year                    2005
_chemical_formula_sum            'C32 H36 Cl2 Cu N4 O7'
_chemical_formula_weight         723.09
_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                 128.290(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   20.1329(17)
_cell_length_b                   8.0328(6)
_cell_length_c                   12.7987(13)
_cell_measurement_temperature    293(2)
_cell_volume                     1624.6(2)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.478
_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      'C 2'
_cod_database_code               7100457
Selective Ir-Catalysed Borylation of Polycyclic Aromatic Hydrocarbons: Structures of Naphthalene-2,6-bis(boronate), Pyrene-2,7-bis(boronate) and Perylene-2,5,8,11-tetra(boronate) esters
Todd Marder; Andrei S. Batsanov; David N. Coventry; Andres Eduardo Goeta; Judith A.K. Howard; Robin N Perutz; Chemical Communications  (2005) –; doi:10.1039/b501778e

data_7100458
_publ_section_title
;
Selective Ir-Catalysed Borylation of Polycyclic
Aromatic Hydrocarbons: Structures of Naphthalene-2,6-bis(boronate),
Pyrene-2,7-bis(boronate) and Perylene-2,5,8,11-tetra(boronate) esters
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b501778e
_journal_year                    2005
_chemical_formula_moiety         'C22 H30 B2 O4'
_chemical_formula_sum            'C22 H30 B2 O4'
_chemical_formula_weight         380.08
_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                 99.70(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   6.501(1)
_cell_length_b                   16.249(2)
_cell_length_c                   10.146(2)
_cell_measurement_temperature    120(2)
_cell_volume                     1056.4(3)
_diffrn_ambient_temperature      120(2)
_exptl_crystal_density_diffrn    1.195
_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               7100458
Selective Ir-Catalysed Borylation of Polycyclic Aromatic Hydrocarbons: Structures of Naphthalene-2,6-bis(boronate), Pyrene-2,7-bis(boronate) and Perylene-2,5,8,11-tetra(boronate) esters
Todd Marder; Andrei S. Batsanov; David N. Coventry; Andres Eduardo Goeta; Judith A.K. Howard; Robin N Perutz; Chemical Communications  (2005) –; doi:10.1039/b501778e

data_7100459
_publ_section_title
;
Selective Ir-Catalysed Borylation of Polycyclic
Aromatic Hydrocarbons: Structures of Naphthalene-2,6-bis(boronate),
Pyrene-2,7-bis(boronate) and Perylene-2,5,8,11-tetra(boronate) esters
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b501778e
_journal_year                    2005
_chemical_absolute_configuration und
_chemical_formula_moiety         'C28 H32 B2 O4'
_chemical_formula_sum            'C28 H32 B2 O4'
_chemical_formula_weight         454.16
_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                   6.7931(5)
_cell_length_b                   17.790(2)
_cell_length_c                   20.368(2)
_cell_measurement_temperature    120(2)
_cell_volume                     2461.5(4)
_diffrn_ambient_temperature      120(2)
_exptl_crystal_density_diffrn    1.226
_reflns_Friedel_coverage         0.77
_cod_database_code               7100459
Selective Ir-Catalysed Borylation of Polycyclic Aromatic Hydrocarbons: Structures of Naphthalene-2,6-bis(boronate), Pyrene-2,7-bis(boronate) and Perylene-2,5,8,11-tetra(boronate) esters
Todd Marder; Andrei S. Batsanov; David N. Coventry; Andres Eduardo Goeta; Judith A.K. Howard; Robin N Perutz; Chemical Communications  (2005) –; doi:10.1039/b501778e

data_7100460
_publ_section_title
;
Selective Ir-Catalysed Borylation of Polycyclic
Aromatic Hydrocarbons: Structures of Naphthalene-2,6-bis(boronate),
Pyrene-2,7-bis(boronate) and Perylene-2,5,8,11-tetra(boronate) esters
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b501778e
_journal_year                    2005
_chemical_formula_moiety         'C44 H56 B4 O8,2(C H2 Cl2)'
_chemical_formula_sum            'C46 H60 B4 Cl4 O8'
_chemical_formula_weight         925.98
_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                103.68(1)
_cell_angle_beta                 99.11(1)
_cell_angle_gamma                96.50(1)
_cell_formula_units_Z            1
_cell_length_a                   6.6669(5)
_cell_length_b                   12.519(1)
_cell_length_c                   14.791(1)
_cell_measurement_temperature    120(2)
_cell_volume                     1169.7(2)
_diffrn_ambient_temperature      120(2)
_exptl_crystal_density_diffrn    1.315
_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               7100460
Model systems for flavoenzyme activity: anelectrochemically tuneable intramolecularly hydrogen bonded flavin-diamidopyridine complex
Graeme Cooke; Alan S. F. Boyd; Josepth B. Carroll; James F Garety; B.J.Jordan; Suhil Mabruk; Georgina Rosair; V.M. Rotello; Chemical Communications  (2005) –; doi:10.1039/b501887k

data_7100461
_publ_section_title
;
Model systems for flavoenzyme activity: anelectrochemically
tuneable intramolecularly hydrogen bonded flavin-diamidopyridine complex
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b501887k
_journal_year                    2005
_chemical_formula_moiety         'C34 H43 N7 O6, Cl2 C H2'
_chemical_formula_sum            'C35 H45 Cl2 N7 O6'
_chemical_formula_weight         730.68
_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                71.272(4)
_cell_angle_beta                 76.201(6)
_cell_angle_gamma                81.735(4)
_cell_formula_units_Z            2
_cell_length_a                   9.1226(12)
_cell_length_b                   13.640(2)
_cell_length_c                   15.435(2)
_cell_measurement_temperature    100(2)
_cell_volume                     1761.7(4)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.377
_exptl_crystal_density_meas      0
_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               7100461
First Transamination Reactions for the One-Pot Synthesis of Substituted Zwitterionic Quinones
Qing-Zheng Yang.; Olivier Siri; Pierre Braunstein; Chemical Communications  (2005) –; doi:10.1039/b501926e

data_7100462
_publ_section_title
;
First Transamination Reactions for the One-Pot Synthesis
of Substituted Zwitterionic Quinones
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b501926e
_journal_year                    2005
_chemical_formula_moiety         'C10 H14 N2 O4'
_chemical_formula_sum            'C10 H14 N2 O4'
_chemical_formula_weight         226.23
_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                74.67(5)
_cell_angle_beta                 76.63(5)
_cell_angle_gamma                85.42(5)
_cell_formula_units_Z            2
_cell_length_a                   5.2310(10)
_cell_length_b                   9.8570(10)
_cell_length_c                   10.5170(10)
_cell_measurement_temperature    173(2)
_cell_volume                     508.71(12)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.477
_cod_database_code               7100462
First Transamination Reactions for the One-Pot Synthesis of Substituted Zwitterionic Quinones
Qing-Zheng Yang.; Olivier Siri; Pierre Braunstein; Chemical Communications  (2005) –; doi:10.1039/b501926e

data_7100463
_publ_section_title
;
First Transamination Reactions for the One-Pot Synthesis
of Substituted Zwitterionic Quinones
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b501926e
_journal_year                    2005
_chemical_formula_moiety         'C28 H46 N8 O4 Zn'
_chemical_formula_sum            'C28 H46 N8 O4 Zn'
_chemical_formula_weight         624.10
_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                 96.02(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.309(5)
_cell_length_b                   17.060(5)
_cell_length_c                   15.059(5)
_cell_measurement_temperature    173(2)
_cell_volume                     3144.8(19)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.318
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7100463