Crystallography Open Database

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4509135 CIFC4 H10 Cd5 N20 O10 S2P 1 21/c 18.8482; 9.5706; 13.312
90; 102.43; 90
1100.9Yao, Ya-Li; Xue, Lin; Che, Yun-Xia; Zheng, Ji-Min
Syntheses, Structures, and Characterizations of Two Pairs of Cd(II)-5-Aminotetrazolate Coordination Polymers
Crystal Growth & Design, 2009, 9, 606
4509136 CIFC2 H6 Cd Cl2 N10P 1 21/n 13.7527; 16.473; 8.0342
90; 94.71; 90
494.98Yao, Ya-Li; Xue, Lin; Che, Yun-Xia; Zheng, Ji-Min
Syntheses, Structures, and Characterizations of Two Pairs of Cd(II)-5-Aminotetrazolate Coordination Polymers
Crystal Growth & Design, 2009, 9, 606
4509137 CIFC8 H14 Cd3 Cl2 N22P n n m12.993; 9.3582; 9.85
90; 90; 90
1197.7Yao, Ya-Li; Xue, Lin; Che, Yun-Xia; Zheng, Ji-Min
Syntheses, Structures, and Characterizations of Two Pairs of Cd(II)-5-Aminotetrazolate Coordination Polymers
Crystal Growth & Design, 2009, 9, 606
4509138 CIFC11 H16 Br2 N4 ZnP 1 21/n 19.5574; 8.7122; 18.1866
90; 100.459; 90
1489.16Mondal, Raju; Basu, Tannistha; Sadhukhan, Dipali; Chattopadhyay, Tanmay; Bhunia, Manas kumar
Influence of Anion on the Coordination Mode of a Flexible Neutral Ligand in Zn(II) Complexes: From Discrete Zero-Dimensional to Infinite 1D Helical Chains, 2D Nanoporous Bilayer Networks, and 3D Interpenetrated Metal−Organic Frameworks
Crystal Growth & Design, 2009, 9, 1095
4509139 CIFC22 H32 N10 O6 ZnI 41/a c d :213.4139; 13.4139; 31.309
90; 90; 90
5633.5Mondal, Raju; Basu, Tannistha; Sadhukhan, Dipali; Chattopadhyay, Tanmay; Bhunia, Manas kumar
Influence of Anion on the Coordination Mode of a Flexible Neutral Ligand in Zn(II) Complexes: From Discrete Zero-Dimensional to Infinite 1D Helical Chains, 2D Nanoporous Bilayer Networks, and 3D Interpenetrated Metal−Organic Frameworks
Crystal Growth & Design, 2009, 9, 1095
4509140 CIFC11 H16 Cl2 N4 ZnP 1 21/n 19.2787; 8.7453; 17.7348
90; 99.192; 90
1420.61Mondal, Raju; Basu, Tannistha; Sadhukhan, Dipali; Chattopadhyay, Tanmay; Bhunia, Manas kumar
Influence of Anion on the Coordination Mode of a Flexible Neutral Ligand in Zn(II) Complexes: From Discrete Zero-Dimensional to Infinite 1D Helical Chains, 2D Nanoporous Bilayer Networks, and 3D Interpenetrated Metal−Organic Frameworks
Crystal Growth & Design, 2009, 9, 1095
4509141 CIFC13 H18 N4 O4 ZnP b c a13.4095; 14.0204; 16.6409
90; 90; 90
3128.6Mondal, Raju; Basu, Tannistha; Sadhukhan, Dipali; Chattopadhyay, Tanmay; Bhunia, Manas kumar
Influence of Anion on the Coordination Mode of a Flexible Neutral Ligand in Zn(II) Complexes: From Discrete Zero-Dimensional to Infinite 1D Helical Chains, 2D Nanoporous Bilayer Networks, and 3D Interpenetrated Metal−Organic Frameworks
Crystal Growth & Design, 2009, 9, 1095
4509142 CIFC11 H18 I2 N4 O ZnP 21 21 219.9103; 12.8091; 13.3863
90; 90; 90
1699.28Mondal, Raju; Basu, Tannistha; Sadhukhan, Dipali; Chattopadhyay, Tanmay; Bhunia, Manas kumar
Influence of Anion on the Coordination Mode of a Flexible Neutral Ligand in Zn(II) Complexes: From Discrete Zero-Dimensional to Infinite 1D Helical Chains, 2D Nanoporous Bilayer Networks, and 3D Interpenetrated Metal−Organic Frameworks
Crystal Growth & Design, 2009, 9, 1095
4509143 CIFC30 H50 N8 O11 Zn2P 21 21 2112.7651; 12.9336; 22.579
90; 90; 90
3727.8Mondal, Raju; Basu, Tannistha; Sadhukhan, Dipali; Chattopadhyay, Tanmay; Bhunia, Manas kumar
Influence of Anion on the Coordination Mode of a Flexible Neutral Ligand in Zn(II) Complexes: From Discrete Zero-Dimensional to Infinite 1D Helical Chains, 2D Nanoporous Bilayer Networks, and 3D Interpenetrated Metal−Organic Frameworks
Crystal Growth & Design, 2009, 9, 1095
4509144 CIFC30 H32 F12 N8 O8 Zn2P 1 21/n 18.5742; 14.5932; 15.0547
90; 91.288; 90
1883.24Mondal, Raju; Basu, Tannistha; Sadhukhan, Dipali; Chattopadhyay, Tanmay; Bhunia, Manas kumar
Influence of Anion on the Coordination Mode of a Flexible Neutral Ligand in Zn(II) Complexes: From Discrete Zero-Dimensional to Infinite 1D Helical Chains, 2D Nanoporous Bilayer Networks, and 3D Interpenetrated Metal−Organic Frameworks
Crystal Growth & Design, 2009, 9, 1095
4509145 CIFC22 H36 Cl4 N8 O2 Zn2P -18.5549; 9.5391; 9.5715
85.746; 79.841; 73.507
737Mondal, Raju; Basu, Tannistha; Sadhukhan, Dipali; Chattopadhyay, Tanmay; Bhunia, Manas kumar
Influence of Anion on the Coordination Mode of a Flexible Neutral Ligand in Zn(II) Complexes: From Discrete Zero-Dimensional to Infinite 1D Helical Chains, 2D Nanoporous Bilayer Networks, and 3D Interpenetrated Metal−Organic Frameworks
Crystal Growth & Design, 2009, 9, 1095
4509146 CIFC11 H18 N4 O5 S ZnP -18.8415; 10.0385; 10.2123
77.676; 67.268; 64.66
754.298Mondal, Raju; Basu, Tannistha; Sadhukhan, Dipali; Chattopadhyay, Tanmay; Bhunia, Manas kumar
Influence of Anion on the Coordination Mode of a Flexible Neutral Ligand in Zn(II) Complexes: From Discrete Zero-Dimensional to Infinite 1D Helical Chains, 2D Nanoporous Bilayer Networks, and 3D Interpenetrated Metal−Organic Frameworks
Crystal Growth & Design, 2009, 9, 1095
4509147 CIFC11 H16 N4 O4 S ZnP n n a22.833; 14.036; 8.6926
90; 90; 90
2785.8Mondal, Raju; Basu, Tannistha; Sadhukhan, Dipali; Chattopadhyay, Tanmay; Bhunia, Manas kumar
Influence of Anion on the Coordination Mode of a Flexible Neutral Ligand in Zn(II) Complexes: From Discrete Zero-Dimensional to Infinite 1D Helical Chains, 2D Nanoporous Bilayer Networks, and 3D Interpenetrated Metal−Organic Frameworks
Crystal Growth & Design, 2009, 9, 1095
4509148 CIFC17 H18 N2 O4C 1 2/c 115.562; 10.281; 9.436
90; 92.357; 90
1508.4Weyna, David R.; Shattock, Tanise; Vishweshwar, Peddy; Zaworotko, Michael J.
Synthesis and Structural Characterization of Cocrystals and Pharmaceutical Cocrystals: Mechanochemistry vs Slow Evaporation from Solution
Crystal Growth & Design, 2009, 9, 1106
4509149 CIFC26 H24 N2 O4P -16.4357; 6.896; 12.412
79.037; 80.952; 80.144
528.4Weyna, David R.; Shattock, Tanise; Vishweshwar, Peddy; Zaworotko, Michael J.
Synthesis and Structural Characterization of Cocrystals and Pharmaceutical Cocrystals: Mechanochemistry vs Slow Evaporation from Solution
Crystal Growth & Design, 2009, 9, 1106
4509150 CIFC40 H38 N2 O6P 15.7645; 7.607; 19.109
84.851; 83.797; 89.241
829.7Weyna, David R.; Shattock, Tanise; Vishweshwar, Peddy; Zaworotko, Michael J.
Synthesis and Structural Characterization of Cocrystals and Pharmaceutical Cocrystals: Mechanochemistry vs Slow Evaporation from Solution
Crystal Growth & Design, 2009, 9, 1106
4509151 CIFC24 H20 N2 O2P 1 21/c 111.7712; 5.9268; 13.954
90; 108.614; 90
922.6Weyna, David R.; Shattock, Tanise; Vishweshwar, Peddy; Zaworotko, Michael J.
Synthesis and Structural Characterization of Cocrystals and Pharmaceutical Cocrystals: Mechanochemistry vs Slow Evaporation from Solution
Crystal Growth & Design, 2009, 9, 1106
4509152 CIFC18 H16 N2 O2P 1 21/c 16; 17.265; 7.062
90; 92.296; 90
731Weyna, David R.; Shattock, Tanise; Vishweshwar, Peddy; Zaworotko, Michael J.
Synthesis and Structural Characterization of Cocrystals and Pharmaceutical Cocrystals: Mechanochemistry vs Slow Evaporation from Solution
Crystal Growth & Design, 2009, 9, 1106
4509153 CIFC10 H14 N2 O4P -13.8081; 8.3558; 8.606
81.95; 80.337; 85.847
266.96Weyna, David R.; Shattock, Tanise; Vishweshwar, Peddy; Zaworotko, Michael J.
Synthesis and Structural Characterization of Cocrystals and Pharmaceutical Cocrystals: Mechanochemistry vs Slow Evaporation from Solution
Crystal Growth & Design, 2009, 9, 1106
4509154 CIFC32 H26 N2 O2P 1 21/c 16.8699; 25.45; 7.6379
90; 110.106; 90
1254Weyna, David R.; Shattock, Tanise; Vishweshwar, Peddy; Zaworotko, Michael J.
Synthesis and Structural Characterization of Cocrystals and Pharmaceutical Cocrystals: Mechanochemistry vs Slow Evaporation from Solution
Crystal Growth & Design, 2009, 9, 1106
4509155 CIFC14 H18 N2 O2P 1 21/c 17.566; 9.218; 10.001
90; 111.328; 90
649.7Weyna, David R.; Shattock, Tanise; Vishweshwar, Peddy; Zaworotko, Michael J.
Synthesis and Structural Characterization of Cocrystals and Pharmaceutical Cocrystals: Mechanochemistry vs Slow Evaporation from Solution
Crystal Growth & Design, 2009, 9, 1106
4509156 CIFC17 H20 N2 O4P 1 21/c 112.295; 11.166; 24.421
90; 97.102; 90
3326.9Weyna, David R.; Shattock, Tanise; Vishweshwar, Peddy; Zaworotko, Michael J.
Synthesis and Structural Characterization of Cocrystals and Pharmaceutical Cocrystals: Mechanochemistry vs Slow Evaporation from Solution
Crystal Growth & Design, 2009, 9, 1106
4509157 CIFC36 H48 N6 O4P -19.0768; 11.7248; 17.443
98.097; 98.195; 106.019
1734.1Weyna, David R.; Shattock, Tanise; Vishweshwar, Peddy; Zaworotko, Michael J.
Synthesis and Structural Characterization of Cocrystals and Pharmaceutical Cocrystals: Mechanochemistry vs Slow Evaporation from Solution
Crystal Growth & Design, 2009, 9, 1106
4509158 CIFC26 H22 N2 O4P 1 21/c 18.8678; 4.9009; 24.411
90; 99.524; 90
1046.3Weyna, David R.; Shattock, Tanise; Vishweshwar, Peddy; Zaworotko, Michael J.
Synthesis and Structural Characterization of Cocrystals and Pharmaceutical Cocrystals: Mechanochemistry vs Slow Evaporation from Solution
Crystal Growth & Design, 2009, 9, 1106
4509159 CIFC32 H28 N2 O2P 1 21/c 16.9691; 25.182; 7.7714
90; 111.272; 90
1270.9Weyna, David R.; Shattock, Tanise; Vishweshwar, Peddy; Zaworotko, Michael J.
Synthesis and Structural Characterization of Cocrystals and Pharmaceutical Cocrystals: Mechanochemistry vs Slow Evaporation from Solution
Crystal Growth & Design, 2009, 9, 1106
4509160 CIFC20 H18 N2 O4P -16.9526; 7.492; 17.118
100.783; 90.162; 101.822
856.5Weyna, David R.; Shattock, Tanise; Vishweshwar, Peddy; Zaworotko, Michael J.
Synthesis and Structural Characterization of Cocrystals and Pharmaceutical Cocrystals: Mechanochemistry vs Slow Evaporation from Solution
Crystal Growth & Design, 2009, 9, 1106
4509161 CIFC17 H14 N2 O2P -17.608; 11.454; 16.423
100.293; 95.987; 90.521
1399.9Weyna, David R.; Shattock, Tanise; Vishweshwar, Peddy; Zaworotko, Michael J.
Synthesis and Structural Characterization of Cocrystals and Pharmaceutical Cocrystals: Mechanochemistry vs Slow Evaporation from Solution
Crystal Growth & Design, 2009, 9, 1106
4509162 CIFC12 H11 N OP 1 21/c 111.6591; 5.9135; 14.087
90; 107.618; 90
925.7Weyna, David R.; Shattock, Tanise; Vishweshwar, Peddy; Zaworotko, Michael J.
Synthesis and Structural Characterization of Cocrystals and Pharmaceutical Cocrystals: Mechanochemistry vs Slow Evaporation from Solution
Crystal Growth & Design, 2009, 9, 1106
4509163 CIFC26 H32 N4 O2P 1 21/c 115.579; 8.5123; 17.781
90; 93.686; 90
2353.1Weyna, David R.; Shattock, Tanise; Vishweshwar, Peddy; Zaworotko, Michael J.
Synthesis and Structural Characterization of Cocrystals and Pharmaceutical Cocrystals: Mechanochemistry vs Slow Evaporation from Solution
Crystal Growth & Design, 2009, 9, 1106
4509164 CIFC28 H26 Cu2 N4 O8P 1 21/c 110.4816; 16.7672; 16.053
90; 106.582; 90
2703.9Cao, Xin-Yi; Lin, Qi-Pu; Qin, Ye-Yan; Zhang, Jian; Li, Zhao-Ji; Cheng, Jian-Kai; Yao, Yuan-Gen
In Situ Obtained Cu(II) Compound with Coexistence of Polycatenation and Polythreading
Crystal Growth & Design, 2009, 9, 20
4509165 CIFC84 H81 Cu5 N10 O36.5P 1 21/c 111.105; 19.337; 20.513
90; 94.632; 90
4391Cao, Xin-Yi; Lin, Qi-Pu; Qin, Ye-Yan; Zhang, Jian; Li, Zhao-Ji; Cheng, Jian-Kai; Yao, Yuan-Gen
In Situ Obtained Cu(II) Compound with Coexistence of Polycatenation and Polythreading
Crystal Growth & Design, 2009, 9, 20
4509166 CIFC94 H59 Co4 F24 N4 O19P 1 21/c 129.45; 15.409; 23.393
90; 111.8; 90
9856Han, Lei; Zhou, Yan; Zhao, Wen-Na; Li, Xing; Liang, Yun-Xiao
Assembly of Metal−Organic Frameworks with Helical Layer: From 2D Parallel Interpenetrated Layer to 3D Self-Penetrating Network
Crystal Growth & Design, 2009, 9, 660
4509167 CIFC22 H13 Co F6 N O4C 1 2/c 130.102; 7.6184; 23.82
90; 122.29; 90
4618Han, Lei; Zhou, Yan; Zhao, Wen-Na; Li, Xing; Liang, Yun-Xiao
Assembly of Metal−Organic Frameworks with Helical Layer: From 2D Parallel Interpenetrated Layer to 3D Self-Penetrating Network
Crystal Growth & Design, 2009, 9, 660
4509168 CIFC30 H39 Cl Mn3 N3 O14R -3 :H13.3784; 13.3784; 34.0617
90; 90; 120
5279.7Stoumpos, Constantinos C.; Inglis, Ross; Karotsis, Georgios; Jones, Leigh F.; Collins, Anna; Parsons, Simon; Milios, Constantinos J.; Papaefstathiou, Giannis S.; Brechin, Euan K.
Supramolecular Entanglement from Interlocked Molecular Nanomagnets
Crystal Growth & Design, 2009, 9, 24
4509169 CIFC42 H42 Cl Mn3 N6 O14P -3 c 115.6887; 15.6887; 22.2702
90; 90; 120
4747.1Stoumpos, Constantinos C.; Inglis, Ross; Karotsis, Georgios; Jones, Leigh F.; Collins, Anna; Parsons, Simon; Milios, Constantinos J.; Papaefstathiou, Giannis S.; Brechin, Euan K.
Supramolecular Entanglement from Interlocked Molecular Nanomagnets
Crystal Growth & Design, 2009, 9, 24
4509170 CIFC96 H94 Mn6 N10 O20P 1 21/n 113.4841; 18.4592; 19.6489
90; 104.358; 90
4738Stoumpos, Constantinos C.; Inglis, Ross; Karotsis, Georgios; Jones, Leigh F.; Collins, Anna; Parsons, Simon; Milios, Constantinos J.; Papaefstathiou, Giannis S.; Brechin, Euan K.
Supramolecular Entanglement from Interlocked Molecular Nanomagnets
Crystal Growth & Design, 2009, 9, 24
4509171 CIFC144 H108 Cl3 N42 Ni9 O58C 1 2/c 122.197; 61.819; 22.214
90; 118.519; 90
26783Zhang, Qingfu; Jiang, Feilong; Huang, Yougui; Wu, Mingyan; Hong, Maochun
Coordination-Driven Face-Directed Self-Assembly of a M9L6Hexahedral Nanocage from Octahedral Ni(II) Ions and Asymmetric Hydrazone Ligands
Crystal Growth & Design, 2009, 9, 28
4509172 CIFC19 H22 Cl2 N2 O5P -19.636; 11.335; 11.685
100.99; 112.09; 107.52
1059Lou, Benyong; Velaga, Sitaram P.
Polymorph Control of Felodipine Form II in an Attempted Cocrystallization
Crystal Growth & Design, 2009, 9, 1254
4509173 CIFC72 H76 Cl8 N4 O16C 1 2/c 132.392; 18.717; 23.711
90; 91; 90
14373Lou, Benyong; Velaga, Sitaram P.
Polymorph Control of Felodipine Form II in an Attempted Cocrystallization
Crystal Growth & Design, 2009, 9, 1254
4509174 CIFC8 H5 Li O4P 1 21/c 15.1187; 16.019; 8.556
90; 90.693; 90
701.5Clegg, William; Russo, Luca
Synthesis and Structures of Alkali Metal Complexes of Isophthalic Acid: The Interplay of Organic Supramolecular Interactions and Flexible Metal Coordination As Structure-Directing Factors
Crystal Growth & Design, 2009, 9, 1158
4509175 CIFC8 H7.5 Na O5.25P 1 21/c 115.962; 7.4739; 29.588
90; 104.928; 90
3410.7Clegg, William; Russo, Luca
Synthesis and Structures of Alkali Metal Complexes of Isophthalic Acid: The Interplay of Organic Supramolecular Interactions and Flexible Metal Coordination As Structure-Directing Factors
Crystal Growth & Design, 2009, 9, 1158
4509176 CIFC16 H11 O8 RbP -13.7761; 5.7924; 17.0879
95.283; 92.67; 92.126
371.44Clegg, William; Russo, Luca
Synthesis and Structures of Alkali Metal Complexes of Isophthalic Acid: The Interplay of Organic Supramolecular Interactions and Flexible Metal Coordination As Structure-Directing Factors
Crystal Growth & Design, 2009, 9, 1158
4509177 CIFC16 H11 Cs O8P -13.8753; 5.9053; 17.105
96.312; 95.092; 93.743
386.42Clegg, William; Russo, Luca
Synthesis and Structures of Alkali Metal Complexes of Isophthalic Acid: The Interplay of Organic Supramolecular Interactions and Flexible Metal Coordination As Structure-Directing Factors
Crystal Growth & Design, 2009, 9, 1158
4509178 CIFC84 H70.5 Cd3 N10 O22.25R -3 c :H55.816; 55.816; 13.957
90; 90; 120
37657Huang, Kun-Lin; Liu, Xi; Chen, Xin; Wang, Da-Qi
Spontaneous Assembly of 63Topological Metal−Organic Nanotubes with Distinct Asymmetric Subunits for the Construction of Hydrophilic Intertube Channels Encapsulating Rare Helical Water-Chains
Crystal Growth & Design, 2009, 9, 1646
4509179 CIFC210 H103 Cl3 Co2 N8P -114.6607; 15.2616; 16.551
75.085; 73.615; 66.874
3221.9Konarev, Dmitri V.; Khasanov, Salavat S.; Saito, Gunzi; Lyubovskaya, Rimma N.
Design of Molecular and Ionic Complexes of Fullerene C60with Metal(II) Octaethylporphyrins, MIIOEP (M = Zn, Co, Fe, and Mn) Containing Coordination M−N(ligand) and M−C(C60−) Bonds
Crystal Growth & Design, 2009, 9, 1170
4509180 CIFC216 H122 Cl2 Co2 N12P n a 2125.884; 17.649; 15.33
90; 90; 90
7003.2Konarev, Dmitri V.; Khasanov, Salavat S.; Saito, Gunzi; Lyubovskaya, Rimma N.
Design of Molecular and Ionic Complexes of Fullerene C60with Metal(II) Octaethylporphyrins, MIIOEP (M = Zn, Co, Fe, and Mn) Containing Coordination M−N(ligand) and M−C(C60−) Bonds
Crystal Growth & Design, 2009, 9, 1170
4509181 CIFC110 H64 Cl2 Co N5P n a 2125.646; 18.25; 15.062
90; 90; 90
7049.6Konarev, Dmitri V.; Khasanov, Salavat S.; Saito, Gunzi; Lyubovskaya, Rimma N.
Design of Molecular and Ionic Complexes of Fullerene C60with Metal(II) Octaethylporphyrins, MIIOEP (M = Zn, Co, Fe, and Mn) Containing Coordination M−N(ligand) and M−C(C60−) Bonds
Crystal Growth & Design, 2009, 9, 1170
4509182 CIFC210 H100 Cl6 Fe2 N8P -129.517; 15.341; 16.537
74.991; 74.637; 66.713
6531.1Konarev, Dmitri V.; Khasanov, Salavat S.; Saito, Gunzi; Lyubovskaya, Rimma N.
Design of Molecular and Ionic Complexes of Fullerene C60with Metal(II) Octaethylporphyrins, MIIOEP (M = Zn, Co, Fe, and Mn) Containing Coordination M−N(ligand) and M−C(C60−) Bonds
Crystal Growth & Design, 2009, 9, 1170
4509183 CIFC109.88 H63.88 Cl0.25 Mn N6.88P n a 2126.17; 17.901; 15.026
90; 90; 90
7039.2Konarev, Dmitri V.; Khasanov, Salavat S.; Saito, Gunzi; Lyubovskaya, Rimma N.
Design of Molecular and Ionic Complexes of Fullerene C60with Metal(II) Octaethylporphyrins, MIIOEP (M = Zn, Co, Fe, and Mn) Containing Coordination M−N(ligand) and M−C(C60−) Bonds
Crystal Growth & Design, 2009, 9, 1170
4509184 CIFC210 H100 Cl6 N8 Zn2P -114.7566; 15.3974; 16.5921
75.902; 74.198; 68.081
3322.4Konarev, Dmitri V.; Khasanov, Salavat S.; Saito, Gunzi; Lyubovskaya, Rimma N.
Design of Molecular and Ionic Complexes of Fullerene C60with Metal(II) Octaethylporphyrins, MIIOEP (M = Zn, Co, Fe, and Mn) Containing Coordination M−N(ligand) and M−C(C60−) Bonds
Crystal Growth & Design, 2009, 9, 1170

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