Crystallography Open Database

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4509852 CIFC37 H27 N5 Ni4 O14P 1 21/n 113.1181; 18.3396; 21.5614
90; 101.558; 90
5082.1Cortijo, Miguel; Herrero, Santiago; Jiménez-Aparicio, Reyes; Perles, Josefina; Priego, José L.; Torroba, Javier
Tuning of Adsorption and Magnetic Properties in a Series of Self-Templated Isostructural Ni(II) Metal−Organic Frameworks
Crystal Growth & Design, 2014, 14, 716
4509853 CIFC38 H29 N5 Ni4 O15P 1 21/n 113.0294; 18.5533; 22.0018
90; 102.837; 90
5185.7Cortijo, Miguel; Herrero, Santiago; Jiménez-Aparicio, Reyes; Perles, Josefina; Priego, José L.; Torroba, Javier
Tuning of Adsorption and Magnetic Properties in a Series of Self-Templated Isostructural Ni(II) Metal−Organic Frameworks
Crystal Growth & Design, 2014, 14, 716
4509854 CIFC39 H31 N5 Ni4 O16P 1 21/n 113.243; 18.2511; 21.8973
90; 104.174; 90
5131.4Cortijo, Miguel; Herrero, Santiago; Jiménez-Aparicio, Reyes; Perles, Josefina; Priego, José L.; Torroba, Javier
Tuning of Adsorption and Magnetic Properties in a Series of Self-Templated Isostructural Ni(II) Metal−Organic Frameworks
Crystal Growth & Design, 2014, 14, 716
4509855 CIFC41 H35 N5 Ni4 O17P 1 21/n 113.1308; 18.3853; 21.7336
90; 101.981; 90
5132.5Cortijo, Miguel; Herrero, Santiago; Jiménez-Aparicio, Reyes; Perles, Josefina; Priego, José L.; Torroba, Javier
Tuning of Adsorption and Magnetic Properties in a Series of Self-Templated Isostructural Ni(II) Metal−Organic Frameworks
Crystal Growth & Design, 2014, 14, 716
4509856 CIFC40 H33 N5 Ni4 O17P 1 21/n 113.0531; 18.5575; 22.1139
90; 103.263; 90
5213.8Cortijo, Miguel; Herrero, Santiago; Jiménez-Aparicio, Reyes; Perles, Josefina; Priego, José L.; Torroba, Javier
Tuning of Adsorption and Magnetic Properties in a Series of Self-Templated Isostructural Ni(II) Metal−Organic Frameworks
Crystal Growth & Design, 2014, 14, 716
4509857 CIFC10 H10 F6 N3 TaP 1 21/c 18.9303; 17.7866; 7.9821
90; 96.7172; 90
1259.17Lu, Hongcheng; Gautier, Romain; Donakowski, Martin D.; Fuoco, Lindsay; Liu, Zhengtang; Poeppelmeier, Kenneth R.
Specific Chemistry of the Anions: [TaOF5]2‒, [TaF6]−, and [TaF7]2‒
Crystal Growth & Design, 2014, 14, 844
4509858 CIFC10 H10 F5 N2 O TaP -17.1842; 13.2358; 20.0804
74.8179; 89.3805; 85.8098
1837.78Lu, Hongcheng; Gautier, Romain; Donakowski, Martin D.; Fuoco, Lindsay; Liu, Zhengtang; Poeppelmeier, Kenneth R.
Specific Chemistry of the Anions: [TaOF5]2‒, [TaF6]−, and [TaF7]2‒
Crystal Growth & Design, 2014, 14, 844
4509859 CIFC2 H10 F7 N2 TaC 1 2/c 19.9102; 7.5768; 11.594
90; 106.918; 90
832.89Lu, Hongcheng; Gautier, Romain; Donakowski, Martin D.; Fuoco, Lindsay; Liu, Zhengtang; Poeppelmeier, Kenneth R.
Specific Chemistry of the Anions: [TaOF5]2‒, [TaF6]−, and [TaF7]2‒
Crystal Growth & Design, 2014, 14, 844
4509860 CIFC16 H19 Cl N2 O7 SP -17.9759; 10.6923; 10.9369
86.247; 79.053; 80.548
902.74Minkov, Vasily S.; Beloborodova, Alina A.; Drebushchak, Valeri A.; Boldyreva, Elena V.
Furosemide Solvates: Can They Serve As Precursors to Different Polymorphs of Furosemide?
Crystal Growth & Design, 2014, 14, 513
4509861 CIFC16 H19 Cl N2 O6 SP 1 21/n 110.9529; 8.3816; 20.0071
90; 95.024; 90
1829.65Minkov, Vasily S.; Beloborodova, Alina A.; Drebushchak, Valeri A.; Boldyreva, Elena V.
Furosemide Solvates: Can They Serve As Precursors to Different Polymorphs of Furosemide?
Crystal Growth & Design, 2014, 14, 513
4509862 CIFC15 H18 Cl N3 O6 SP 1 21/c 112.143; 12.405; 24.3562
90; 99.52; 90
3618.3Minkov, Vasily S.; Beloborodova, Alina A.; Drebushchak, Valeri A.; Boldyreva, Elena V.
Furosemide Solvates: Can They Serve As Precursors to Different Polymorphs of Furosemide?
Crystal Growth & Design, 2014, 14, 513
4509863 CIFC32 H26 Cd2 N2 O12C 1 2/c 129.426; 9.1549; 27.559
90; 115.5; 90
6701Meng, Wei; Xu, Zhouqing; Ding, Jie; Wu, Dongqing; Han, Xiao; Hou, Hongwei; Fan, Yaoting
A Systematic Research on the Synthesis, Structures, and Application in Photocatalysis of Cluster-Based Coordination Complexes
Crystal Growth & Design, 2014, 14, 730
4509864 CIFC74 H66 Cd2 N8 O10 Zn0P c c n45.787; 16.599; 17.858
90; 90; 90
13572Meng, Wei; Xu, Zhouqing; Ding, Jie; Wu, Dongqing; Han, Xiao; Hou, Hongwei; Fan, Yaoting
A Systematic Research on the Synthesis, Structures, and Application in Photocatalysis of Cluster-Based Coordination Complexes
Crystal Growth & Design, 2014, 14, 730
4509865 CIFC46 H36 Cd2 N4 O10P -110.933; 14.321; 14.435
67.19; 83.4; 71.99
1981.2Meng, Wei; Xu, Zhouqing; Ding, Jie; Wu, Dongqing; Han, Xiao; Hou, Hongwei; Fan, Yaoting
A Systematic Research on the Synthesis, Structures, and Application in Photocatalysis of Cluster-Based Coordination Complexes
Crystal Growth & Design, 2014, 14, 730
4509866 CIFC27 H22 Cd2 N O12P 1 21/c 117.001; 8.5304; 23.469
90; 127.642; 90
2695.1Meng, Wei; Xu, Zhouqing; Ding, Jie; Wu, Dongqing; Han, Xiao; Hou, Hongwei; Fan, Yaoting
A Systematic Research on the Synthesis, Structures, and Application in Photocatalysis of Cluster-Based Coordination Complexes
Crystal Growth & Design, 2014, 14, 730
4509867 CIFC2 Ca O10.5 P2P -15.7626; 9.672; 10.8216
76.15; 87.995; 72.813
559.05Niekiel, Felicitas; Stock, Norbert
Discovery of New Calcium Etidronates Employing Ultrasound Adapted High-Throughput Methods
Crystal Growth & Design, 2014, 14, 599
4509868 CIFC2 Ca K O9 P2P 1 21/c 111.3975; 5.756; 15.4086
90; 94.012; 90
1008.39Niekiel, Felicitas; Stock, Norbert
Discovery of New Calcium Etidronates Employing Ultrasound Adapted High-Throughput Methods
Crystal Growth & Design, 2014, 14, 599
4509869 CIFC24 H30 Cl N10 Na O6P a -317.832; 17.832; 17.832
90; 90; 90
5670Zhang, Rui; Zhao, Yanxia; Wang, Jiamin; Ji, Liguo; Yang, Xiao-Juan; Wu, Biao
Chloride Encapsulation by a Tripodal Tris(4-pyridylurea) Ligand and Effects of Countercations on the Secondary Coordination Sphere
Crystal Growth & Design, 2014, 14, 544
4509870 CIFC24 H30 Cl K N10 O6P a -318.148; 18.148; 18.148
90; 90; 90
5977Zhang, Rui; Zhao, Yanxia; Wang, Jiamin; Ji, Liguo; Yang, Xiao-Juan; Wu, Biao
Chloride Encapsulation by a Tripodal Tris(4-pyridylurea) Ligand and Effects of Countercations on the Secondary Coordination Sphere
Crystal Growth & Design, 2014, 14, 544
4509871 CIFC48 H72 Cl2 Mg N20 O12R -3 :H13.139; 13.139; 30.095
90; 90; 120
4499Zhang, Rui; Zhao, Yanxia; Wang, Jiamin; Ji, Liguo; Yang, Xiao-Juan; Wu, Biao
Chloride Encapsulation by a Tripodal Tris(4-pyridylurea) Ligand and Effects of Countercations on the Secondary Coordination Sphere
Crystal Growth & Design, 2014, 14, 544
4509872 CIFC48 H72 Ca Cl2 N20 O12R -3 :H13.241; 13.241; 31.07
90; 90; 120
4717.5Zhang, Rui; Zhao, Yanxia; Wang, Jiamin; Ji, Liguo; Yang, Xiao-Juan; Wu, Biao
Chloride Encapsulation by a Tripodal Tris(4-pyridylurea) Ligand and Effects of Countercations on the Secondary Coordination Sphere
Crystal Growth & Design, 2014, 14, 544
4509873 CIFC48 H72 Cl2 Mn N20 O12R -3 :H13.201; 13.201; 30.575
90; 90; 120
4614Zhang, Rui; Zhao, Yanxia; Wang, Jiamin; Ji, Liguo; Yang, Xiao-Juan; Wu, Biao
Chloride Encapsulation by a Tripodal Tris(4-pyridylurea) Ligand and Effects of Countercations on the Secondary Coordination Sphere
Crystal Growth & Design, 2014, 14, 544
4509874 CIFC48 H60 Cl2 Mn N20 O6P -313.403; 13.403; 8.6697
90; 90; 120
1348.8Zhang, Rui; Zhao, Yanxia; Wang, Jiamin; Ji, Liguo; Yang, Xiao-Juan; Wu, Biao
Chloride Encapsulation by a Tripodal Tris(4-pyridylurea) Ligand and Effects of Countercations on the Secondary Coordination Sphere
Crystal Growth & Design, 2014, 14, 544
4509875 CIFC48 H60 Cl2 Co N20 O6P -313.4; 13.4; 8.73
90; 90; 120
1357.5Zhang, Rui; Zhao, Yanxia; Wang, Jiamin; Ji, Liguo; Yang, Xiao-Juan; Wu, Biao
Chloride Encapsulation by a Tripodal Tris(4-pyridylurea) Ligand and Effects of Countercations on the Secondary Coordination Sphere
Crystal Growth & Design, 2014, 14, 544
4509876 CIFC24 H30 F K N10 O6P a -318.037; 18.037; 18.037
90; 90; 90
5868Zhang, Rui; Zhao, Yanxia; Wang, Jiamin; Ji, Liguo; Yang, Xiao-Juan; Wu, Biao
Chloride Encapsulation by a Tripodal Tris(4-pyridylurea) Ligand and Effects of Countercations on the Secondary Coordination Sphere
Crystal Growth & Design, 2014, 14, 544
4509877 CIFC49 H68 N20 Na2 O14P -111.948; 12.066; 12.125
65.2; 72.767; 69.079
1459.9Zhang, Rui; Zhao, Yanxia; Wang, Jiamin; Ji, Liguo; Yang, Xiao-Juan; Wu, Biao
Chloride Encapsulation by a Tripodal Tris(4-pyridylurea) Ligand and Effects of Countercations on the Secondary Coordination Sphere
Crystal Growth & Design, 2014, 14, 544
4509878 CIFC24.5 H34 K N10 O7P -112.159; 12.311; 12.361
68.914; 65.452; 72.928
1547.6Zhang, Rui; Zhao, Yanxia; Wang, Jiamin; Ji, Liguo; Yang, Xiao-Juan; Wu, Biao
Chloride Encapsulation by a Tripodal Tris(4-pyridylurea) Ligand and Effects of Countercations on the Secondary Coordination Sphere
Crystal Growth & Design, 2014, 14, 544
4509879 CIFC182 H33 ClP 1 21/n 122.0143; 9.8317; 22.891
90; 112.715; 90
4570.2Filatov, Alexander S.; Ferguson, Michael V.; Spisak, Sarah N.; Li, Bo; Campana, Charles F.; Petrukhina, Marina A.
Bowl-Shaped Polyarenes as Concave‒Convex Shape Complementary Hosts for C60- and C70-Fullerenes
Crystal Growth & Design, 2014, 14, 756
4509880 CIFC144 H40 Cl6P -115.8747; 16.0091; 18.2908
66.713; 71.6; 80.733
4047.9Filatov, Alexander S.; Ferguson, Michael V.; Spisak, Sarah N.; Li, Bo; Campana, Charles F.; Petrukhina, Marina A.
Bowl-Shaped Polyarenes as Concave‒Convex Shape Complementary Hosts for C60- and C70-Fullerenes
Crystal Growth & Design, 2014, 14, 756
4509881 CIFC74 H82 N8 O30P -115.1465; 17.4664; 17.4943
113.765; 108.654; 98.054
3815.2González-González, Juan Saulo; Martínez-Martínez, Francisco J.; García-Báez, Efrén V.; Cruz, Alejandro; Morín-Sánchez, Luis M.; Rojas-Lima, Susana; Padilla-Martínez, Itzia I.
Molecular Complexes of DiethylN,N′-1,3-Phenyldioxalamate and Resorcinols: Conformational Switching through Intramolecular Three-Centered Hydrogen-Bonding
Crystal Growth & Design, 2014, 14, 628
4509882 CIFC21 H24 N2 O8P 1 21/m 14.941; 18.7803; 11.2062
90; 97.223; 90
1031.61González-González, Juan Saulo; Martínez-Martínez, Francisco J.; García-Báez, Efrén V.; Cruz, Alejandro; Morín-Sánchez, Luis M.; Rojas-Lima, Susana; Padilla-Martínez, Itzia I.
Molecular Complexes of DiethylN,N′-1,3-Phenyldioxalamate and Resorcinols: Conformational Switching through Intramolecular Three-Centered Hydrogen-Bonding
Crystal Growth & Design, 2014, 14, 628
4509883 CIFC29 H39 Cl3 N2 O8P 1 21/c 115.8182; 18.9181; 11.3683
90; 92.369; 90
3399.1González-González, Juan Saulo; Martínez-Martínez, Francisco J.; García-Báez, Efrén V.; Cruz, Alejandro; Morín-Sánchez, Luis M.; Rojas-Lima, Susana; Padilla-Martínez, Itzia I.
Molecular Complexes of DiethylN,N′-1,3-Phenyldioxalamate and Resorcinols: Conformational Switching through Intramolecular Three-Centered Hydrogen-Bonding
Crystal Growth & Design, 2014, 14, 628
4509884 CIFC26 H46 N2 O11 SP 1 21/c 114.497; 17.021; 12.332
90; 103.739; 90
2955.9Bis, Joanna A.; Boyle, Paul D.; Carino, Stephen A. R.; Igo, David H.; Katrincic, Lee M.
Crystallization and Solid-State Characterization of the Hemihydrate of Albuterol Hemisulfate
Crystal Growth & Design, 2014, 14, 775
4509885 CIFC5 H6 B Co F4 N2 S2P 1 21/n 114.587; 7.6483; 18.132
90; 102.264; 90
1976.7Boeré, René T.
Hydrogen-Bonding Motifs in MS2N2H Metallacycles: A Crystallographic and Computational Study of [CpCoS2N2H][BF4]
Crystal Growth & Design, 2014, 14, 814
4509886 CIFC26 H22 Ag Cl3 F6 N3 O8 PC 1 2/c 110.284; 31.388; 20.904
90; 103.189; 90
6570Mukherjee, Gargi; Biradha, Kumar
Topological Equivalences between Coordination Polymer and Co-crystal: A Tecton Approach in Crystal Engineering
Crystal Growth & Design, 2014, 14, 419
4509887 CIFC36 H27 Cl6 N3 O13P 1 21/c 120.565; 22.834; 7.502
90; 90.73; 90
3523Mukherjee, Gargi; Biradha, Kumar
Topological Equivalences between Coordination Polymer and Co-crystal: A Tecton Approach in Crystal Engineering
Crystal Growth & Design, 2014, 14, 419
4509888 CIFC98 H62 Ag2 Cl6 F12 N6 O12 P2P -110.889; 13.384; 17.35
104.96; 103.6; 102.482
2269Mukherjee, Gargi; Biradha, Kumar
Topological Equivalences between Coordination Polymer and Co-crystal: A Tecton Approach in Crystal Engineering
Crystal Growth & Design, 2014, 14, 419
4509889 CIFC12 H23.8 N4 O8.9P 1 21 110.5932; 4.7331; 17.179
90; 98.548; 90
851.8Nath, Naba K.; Yasuda, Nobuhiro; Rabeh, Wael M.; Sahoo, Subash Chandra; Naumov, Panče
Structural Elucidation of the Neuraminidase Inhibitor Zanamivir (Relenza): Creeping and Diffusion for Polymorph Separation
Crystal Growth & Design, 2014, 14, 770
4509890 CIFC12 H23.4 N4 O8.7P 21 21 218.8194; 9.2436; 20.227
90; 90; 90
1649Nath, Naba K.; Yasuda, Nobuhiro; Rabeh, Wael M.; Sahoo, Subash Chandra; Naumov, Panče
Structural Elucidation of the Neuraminidase Inhibitor Zanamivir (Relenza): Creeping and Diffusion for Polymorph Separation
Crystal Growth & Design, 2014, 14, 770
4509891 CIFC16.5 H17 N0.5 Ni0.5 O3 S5C 1 2/c 129.1206; 9.0225; 20.0291
90; 131.787; 90
3923.8Liu, Zun-qi; Kubo, Kazuya; Noro, Shin-ichiro; Akutagawa, Tomoyuki; Nakamura, Takayoshi
Design of Crystalline Spaces for Molecular Rotations in Crystals
Crystal Growth & Design, 2014, 14, 537
4509892 CIFC16.5 H16 F0.5 N0.5 Ni0.5 O3 S5C 1 2/c 129.274; 9.0709; 20.0025
90; 131.915; 90
3952.5Liu, Zun-qi; Kubo, Kazuya; Noro, Shin-ichiro; Akutagawa, Tomoyuki; Nakamura, Takayoshi
Design of Crystalline Spaces for Molecular Rotations in Crystals
Crystal Growth & Design, 2014, 14, 537
4509893 CIFC16.5 H16 F0.5 N0.5 Ni0.5 O3 S5C 1 2/c 128.969; 9.0811; 20.0477
90; 131.492; 90
3950.4Liu, Zun-qi; Kubo, Kazuya; Noro, Shin-ichiro; Akutagawa, Tomoyuki; Nakamura, Takayoshi
Design of Crystalline Spaces for Molecular Rotations in Crystals
Crystal Growth & Design, 2014, 14, 537
4509894 CIFC16.5 H17 N0.5 Ni0.5 O3 S5C 1 2/c 129.326; 9.0664; 20.2033
90; 132.153; 90
3982.3Liu, Zun-qi; Kubo, Kazuya; Noro, Shin-ichiro; Akutagawa, Tomoyuki; Nakamura, Takayoshi
Design of Crystalline Spaces for Molecular Rotations in Crystals
Crystal Growth & Design, 2014, 14, 537
4509895 CIFC16.5 H16 F0.5 N0.5 Ni0.5 O3 S5C 1 2/c 129.103; 9.1316; 20.203
90; 131.73; 90
4006.9Liu, Zun-qi; Kubo, Kazuya; Noro, Shin-ichiro; Akutagawa, Tomoyuki; Nakamura, Takayoshi
Design of Crystalline Spaces for Molecular Rotations in Crystals
Crystal Growth & Design, 2014, 14, 537
4509896 CIFC16.5 H16 F0.5 N0.5 Ni0.5 O3 S5C 1 2/c 129.4415; 9.109; 20.1583
90; 132.211; 90
4004.2Liu, Zun-qi; Kubo, Kazuya; Noro, Shin-ichiro; Akutagawa, Tomoyuki; Nakamura, Takayoshi
Design of Crystalline Spaces for Molecular Rotations in Crystals
Crystal Growth & Design, 2014, 14, 537
4509897 CIFC26 H20 N2 O6 ZnP -19.6191; 10.0535; 12.8335
71.676; 87.048; 75.916
1142.3Zhang, Chuanlei; Zhang, Mingdao; Qin, Ling; Zheng, Hegen
Crystal Structures and Spectroscopic Properties of Metal‒Organic Frameworks Based on Rigid Ligands with Flexible Functional Groups
Crystal Growth & Design, 2014, 14, 491
4509898 CIFC17 H12 N O5 ZnP 1 2/c 110.9063; 10.9553; 16.599
90; 101.655; 90
1942.39Zhang, Chuanlei; Zhang, Mingdao; Qin, Ling; Zheng, Hegen
Crystal Structures and Spectroscopic Properties of Metal‒Organic Frameworks Based on Rigid Ligands with Flexible Functional Groups
Crystal Growth & Design, 2014, 14, 491
4509899 CIFC32 H36 Co N4 O10P -17.2562; 10.207; 11.423
108.061; 92.203; 99.553
789.5Zhang, Chuanlei; Zhang, Mingdao; Qin, Ling; Zheng, Hegen
Crystal Structures and Spectroscopic Properties of Metal‒Organic Frameworks Based on Rigid Ligands with Flexible Functional Groups
Crystal Growth & Design, 2014, 14, 491
4509900 CIFC32 H24 Cd N4 O10P -17.3036; 10.4501; 11.5545
108.251; 94.805; 98.434
820.52Zhang, Chuanlei; Zhang, Mingdao; Qin, Ling; Zheng, Hegen
Crystal Structures and Spectroscopic Properties of Metal‒Organic Frameworks Based on Rigid Ligands with Flexible Functional Groups
Crystal Growth & Design, 2014, 14, 491
4509901 CIFC34 H29 Co N2 O6.5P 1 2/c 110.2536; 11.9941; 25.9444
90; 105.733; 90
3071.2Zhang, Chuanlei; Zhang, Mingdao; Qin, Ling; Zheng, Hegen
Crystal Structures and Spectroscopic Properties of Metal‒Organic Frameworks Based on Rigid Ligands with Flexible Functional Groups
Crystal Growth & Design, 2014, 14, 491

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