Crystallography Open Database

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7241576 CIFC12 H10 N2 O4P -18.74; 9.849; 13.663
73.285; 72.292; 72.343
1042.6Lombard, Jean; Smith, Vincent J.; le Roex, Tanya; Haynes, Delia A.
Crystallisation of organic salts by sublimation: salt formation from the gas phase
CrystEngComm, 2020, 22, 7826-7831
7241577 CIFC12 H10 N2 O4P -18.7731; 9.8652; 13.9929
73.741; 72.89; 72.483
1079.17Lombard, Jean; Smith, Vincent J.; le Roex, Tanya; Haynes, Delia A.
Crystallisation of organic salts by sublimation: salt formation from the gas phase
CrystEngComm, 2020, 22, 7826-7831
7241578 CIFC16 H30 N8 O4C 1 2/c 121.654; 6.948; 25.748
90; 101.148; 90
3800.7Lombard, Jean; Smith, Vincent J.; le Roex, Tanya; Haynes, Delia A.
Crystallisation of organic salts by sublimation: salt formation from the gas phase
CrystEngComm, 2020, 22, 7826-7831
7241586 CIFC9 H8 O4P 1 21/n 16.6967; 5.7405; 20.7844
90; 94.953; 90
796.02Wang, Zhihan; Flores, Quinton; Guo, Hongye; Trevizo, Raquel; Zhang, Xiaochan; Wang, Shihan
Crystal engineering construction of caffeic acid derivatives with potential applications in pharmaceuticals and degradable polymeric materials
CrystEngComm, 2020, 22, 7847-7857
7241587 CIFC10 H10 O4P 1 21/n 17.2043; 11.578; 11.3815
90; 105.771; 90
913.61Wang, Zhihan; Flores, Quinton; Guo, Hongye; Trevizo, Raquel; Zhang, Xiaochan; Wang, Shihan
Crystal engineering construction of caffeic acid derivatives with potential applications in pharmaceuticals and degradable polymeric materials
CrystEngComm, 2020, 22, 7847-7857
7241588 CIFC26 H32 O12P -15.3882; 8.4135; 14.8002
77.6; 80.086; 88.273
645.49Wang, Zhihan; Flores, Quinton; Guo, Hongye; Trevizo, Raquel; Zhang, Xiaochan; Wang, Shihan
Crystal engineering construction of caffeic acid derivatives with potential applications in pharmaceuticals and degradable polymeric materials
CrystEngComm, 2020, 22, 7847-7857
7241589 CIFC20 H20 O8P 1 21/c 18.841; 10.807; 9.978
90; 112.64; 90
879.9Wang, Zhihan; Flores, Quinton; Guo, Hongye; Trevizo, Raquel; Zhang, Xiaochan; Wang, Shihan
Crystal engineering construction of caffeic acid derivatives with potential applications in pharmaceuticals and degradable polymeric materials
CrystEngComm, 2020, 22, 7847-7857
7241600 CIFC28 H24 N4 O7 ZnP 1 21/n 110.792; 18.8461; 13.1548
90; 97.925; 90
2649.96Liu, Guocheng; Han, Shengwei; Gao, Yue; Xu, Na; Wang, Xiuli; Chen, Baokuan
Multifunctional fluorescence responses of phenyl-amide-bridged d10 coordination polymers structurally regulated by dicarboxylates and metal ions
CrystEngComm, 2020, 22, 7952-7961
7241601 CIFC28 H22 N4 O6 ZnC 1 2/c 129.2681; 10.0831; 22.0305
90; 129.908; 90
4987.1Liu, Guocheng; Han, Shengwei; Gao, Yue; Xu, Na; Wang, Xiuli; Chen, Baokuan
Multifunctional fluorescence responses of phenyl-amide-bridged d10 coordination polymers structurally regulated by dicarboxylates and metal ions
CrystEngComm, 2020, 22, 7952-7961
7241602 CIFC18 H15 Cd N2 O6P -17.482; 8.3416; 14.5588
78.944; 87.671; 76.222
866.11Liu, Guocheng; Han, Shengwei; Gao, Yue; Xu, Na; Wang, Xiuli; Chen, Baokuan
Multifunctional fluorescence responses of phenyl-amide-bridged d10 coordination polymers structurally regulated by dicarboxylates and metal ions
CrystEngComm, 2020, 22, 7952-7961
7241603 CIFC28 H24 N4 O7 ZnP -19.6024; 11.8975; 13.2665
113.334; 103.141; 102.592
1272.3Liu, Guocheng; Han, Shengwei; Gao, Yue; Xu, Na; Wang, Xiuli; Chen, Baokuan
Multifunctional fluorescence responses of phenyl-amide-bridged d10 coordination polymers structurally regulated by dicarboxylates and metal ions
CrystEngComm, 2020, 22, 7952-7961
7241705 CIFC26 H26 Cl2 Fe N10 O2P 1 21/n 18.7562; 13.1732; 12.6457
90; 95.04; 90
1453.01Jakupec, Nikola; Fotović, Luka; Stilinović, Vladimir
The effect of halogen bonding on protonated hexacyanoferrate networks in hexacyanoferrates of halogenopyridines
CrystEngComm, 2020, 22, 8142-8150
7241706 CIFC16 H16 Fe I2 N8 O2C 1 2/c 114.9231; 8.4115; 18.7857
90; 108.571; 90
2235.3Jakupec, Nikola; Fotović, Luka; Stilinović, Vladimir
The effect of halogen bonding on protonated hexacyanoferrate networks in hexacyanoferrates of halogenopyridines
CrystEngComm, 2020, 22, 8142-8150
7241707 CIFC18 H20 Fe I2 N8 O2P 1 21/c 18.8231; 11.0729; 13.2703
90; 106.027; 90
1246.08Jakupec, Nikola; Fotović, Luka; Stilinović, Vladimir
The effect of halogen bonding on protonated hexacyanoferrate networks in hexacyanoferrates of halogenopyridines
CrystEngComm, 2020, 22, 8142-8150
7241708 CIFC16 H12 Fe I2 N8P 1 21/c 18.3887; 9.639; 13.2734
90; 99.11; 90
1059.73Jakupec, Nikola; Fotović, Luka; Stilinović, Vladimir
The effect of halogen bonding on protonated hexacyanoferrate networks in hexacyanoferrates of halogenopyridines
CrystEngComm, 2020, 22, 8142-8150
7241709 CIFC34 H32 Cl4 Fe2 N16 O2P -18.1771; 11.2544; 12.1692
91.426; 108.865; 90.318
1059.3Jakupec, Nikola; Fotović, Luka; Stilinović, Vladimir
The effect of halogen bonding on protonated hexacyanoferrate networks in hexacyanoferrates of halogenopyridines
CrystEngComm, 2020, 22, 8142-8150
7241710 CIFC16 H16 Br2 Fe N8 O2C 1 2/c 114.7058; 8.3867; 18.3571
90; 108.439; 90
2147.8Jakupec, Nikola; Fotović, Luka; Stilinović, Vladimir
The effect of halogen bonding on protonated hexacyanoferrate networks in hexacyanoferrates of halogenopyridines
CrystEngComm, 2020, 22, 8142-8150
7241711 CIFC58 H44 Br8 Fe3 N26C 1 2/c 119.931; 12.6943; 30.341
90; 93.819; 90
7659.5Jakupec, Nikola; Fotović, Luka; Stilinović, Vladimir
The effect of halogen bonding on protonated hexacyanoferrate networks in hexacyanoferrates of halogenopyridines
CrystEngComm, 2020, 22, 8142-8150
7241736 CIFC36 H38 N10P 1 21/c 17.8699; 36.0925; 11.3684
90; 92.524; 90
3226Ye, Yang; Gao, Lei; Hao, Hongxun; Yin, Qiuxiang; Xie, Chuang
Tuning the photomechanical behavior and excellent elasticity of azobenzene via cocrystal engineering
CrystEngComm, 2020, 22, 8045-8053
7241737 CIFC22 H19 N5P 1 21 17.5794; 5.6975; 21.4258
90; 97.914; 90
916.43Ye, Yang; Gao, Lei; Hao, Hongxun; Yin, Qiuxiang; Xie, Chuang
Tuning the photomechanical behavior and excellent elasticity of azobenzene via cocrystal engineering
CrystEngComm, 2020, 22, 8045-8053
7241738 CIFC24 H23 N5P 1 21 17.73; 5.6677; 23.0411
90; 91.233; 90
1009.23Ye, Yang; Gao, Lei; Hao, Hongxun; Yin, Qiuxiang; Xie, Chuang
Tuning the photomechanical behavior and excellent elasticity of azobenzene via cocrystal engineering
CrystEngComm, 2020, 22, 8045-8053
7241739 CIFC21 H23 N5P 1 21 17.9177; 5.9154; 19.843
90; 90.84; 90
929.3Ye, Yang; Gao, Lei; Hao, Hongxun; Yin, Qiuxiang; Xie, Chuang
Tuning the photomechanical behavior and excellent elasticity of azobenzene via cocrystal engineering
CrystEngComm, 2020, 22, 8045-8053
7241740 CIFC29 H24 N4P 1 21/n 125.715; 5.9027; 31.344
90; 107.76; 90
4530.9Ye, Yang; Gao, Lei; Hao, Hongxun; Yin, Qiuxiang; Xie, Chuang
Tuning the photomechanical behavior and excellent elasticity of azobenzene via cocrystal engineering
CrystEngComm, 2020, 22, 8045-8053
7241742 CIFC46 H37 Cd Cl I4 S32I 41/a :29.7369; 9.7369; 76.074
90; 90; 90
7212.4Shilov, Gennadii V.; Zhilyaeva, Elena I.; Flakina, Alexandra M.; Aldoshin, Sergey M.; Konarev, Dmitri V.; Lyubovskii, Rustem B.; Lyubovskaya, Rimma N.
Phase transformations of iodine-containing dual-layered conductor θ-(ET)4CdI4(PhCl) upon cooling
CrystEngComm, 2020, 22, 8054-8062
7241743 CIFC46 H37 Cd Cl I4 S32I 1 2/a 19.6448; 76.132; 9.7076
90; 90.2; 90
7128Shilov, Gennadii V.; Zhilyaeva, Elena I.; Flakina, Alexandra M.; Aldoshin, Sergey M.; Konarev, Dmitri V.; Lyubovskii, Rustem B.; Lyubovskaya, Rimma N.
Phase transformations of iodine-containing dual-layered conductor θ-(ET)4CdI4(PhCl) upon cooling
CrystEngComm, 2020, 22, 8054-8062
7241744 CIFC46 H37 Cd Cl I4 S32I -19.5531; 9.7052; 76.0688
89.884; 89.917; 89.798
7052.6Shilov, Gennadii V.; Zhilyaeva, Elena I.; Flakina, Alexandra M.; Aldoshin, Sergey M.; Konarev, Dmitri V.; Lyubovskii, Rustem B.; Lyubovskaya, Rimma N.
Phase transformations of iodine-containing dual-layered conductor θ-(ET)4CdI4(PhCl) upon cooling
CrystEngComm, 2020, 22, 8054-8062
7241745 CIFC8 H12 Cd N2 O2 S4P n m a13.1254; 13.6595; 8.5225
90; 90; 90
1527.97Adhikari, Suman; Bhattacharjee, Tirtha; Das, Arijit; Roy, Subhadip; Daniliuc, Constantin Gabriel; Zaręba, Jan K.; Bauzá, Antonio; Frontera, Antonio
On the supramolecular properties of neutral, anionic and cationic cadmium complexes harvested from dithiolate‒polyamine binary ligand systems
CrystEngComm, 2020, 22, 8023-8035
7241746 CIFC10 H22 Cd N6 O S2P 1 21/n 19.7864; 10.9611; 16.022
90; 102.095; 90
1680.52Adhikari, Suman; Bhattacharjee, Tirtha; Das, Arijit; Roy, Subhadip; Daniliuc, Constantin Gabriel; Zaręba, Jan K.; Bauzá, Antonio; Frontera, Antonio
On the supramolecular properties of neutral, anionic and cationic cadmium complexes harvested from dithiolate‒polyamine binary ligand systems
CrystEngComm, 2020, 22, 8023-8035
7241747 CIFC28 H52 Cd3 N18 S6P 21 21 2114.6814; 17.4409; 17.6486
90; 90; 90
4519.04Adhikari, Suman; Bhattacharjee, Tirtha; Das, Arijit; Roy, Subhadip; Daniliuc, Constantin Gabriel; Zaręba, Jan K.; Bauzá, Antonio; Frontera, Antonio
On the supramolecular properties of neutral, anionic and cationic cadmium complexes harvested from dithiolate‒polyamine binary ligand systems
CrystEngComm, 2020, 22, 8023-8035
7241752 CIFC60 H82 Mn3 N6 O31C 1 2/c 126.891; 16.3784; 20.2907
90; 130.136; 90
6832.2Yang, Dongdong; Liu, Xiaxia; Lu, Liping; Zhu, Miaoli
Effects of two different solvents on the syntheses, structural diversity, and magnetic properties of six Mn(ii) complexes derived from 3,3′-((5-carboxy-1,3-phenylene)bis(oxy))dibenzoate and variable N-donor ligands
CrystEngComm, 2020, 22, 8088-8099
7241753 CIFC78 H57 Mn3 N6 O22P 1 2/c 113.706; 10.943; 23.695
90; 106.11; 90
3414.3Yang, Dongdong; Liu, Xiaxia; Lu, Liping; Zhu, Miaoli
Effects of two different solvents on the syntheses, structural diversity, and magnetic properties of six Mn(ii) complexes derived from 3,3′-((5-carboxy-1,3-phenylene)bis(oxy))dibenzoate and variable N-donor ligands
CrystEngComm, 2020, 22, 8088-8099
7241754 CIFC62 H44 Mn2 N4 O18P -110.2097; 10.7615; 13.8645
81.129; 79.737; 64.205
1344.5Yang, Dongdong; Liu, Xiaxia; Lu, Liping; Zhu, Miaoli
Effects of two different solvents on the syntheses, structural diversity, and magnetic properties of six Mn(ii) complexes derived from 3,3′-((5-carboxy-1,3-phenylene)bis(oxy))dibenzoate and variable N-donor ligands
CrystEngComm, 2020, 22, 8088-8099
7241755 CIFC39 H47 Mn N6 O18P -111.4113; 13.9536; 14.723
105.212; 92.722; 107.323
2139.4Yang, Dongdong; Liu, Xiaxia; Lu, Liping; Zhu, Miaoli
Effects of two different solvents on the syntheses, structural diversity, and magnetic properties of six Mn(ii) complexes derived from 3,3′-((5-carboxy-1,3-phenylene)bis(oxy))dibenzoate and variable N-donor ligands
CrystEngComm, 2020, 22, 8088-8099
7241756 CIFC31 H25 Mn2 N3 O12P 1 21/c 112.916; 8.9128; 27.161
90; 98.425; 90
3093Yang, Dongdong; Liu, Xiaxia; Lu, Liping; Zhu, Miaoli
Effects of two different solvents on the syntheses, structural diversity, and magnetic properties of six Mn(ii) complexes derived from 3,3′-((5-carboxy-1,3-phenylene)bis(oxy))dibenzoate and variable N-donor ligands
CrystEngComm, 2020, 22, 8088-8099
7241757 CIFC69 H62 Mn3 N6 O23C 1 2/c 128.4052; 16.0847; 19.9257
90; 133.158; 90
6641Yang, Dongdong; Liu, Xiaxia; Lu, Liping; Zhu, Miaoli
Effects of two different solvents on the syntheses, structural diversity, and magnetic properties of six Mn(ii) complexes derived from 3,3′-((5-carboxy-1,3-phenylene)bis(oxy))dibenzoate and variable N-donor ligands
CrystEngComm, 2020, 22, 8088-8099
7241764 CIFC16 H80 Cl8 I16 N16 Pb4P b c m8.759; 9.44; 23.545
90; 90; 90
1946.82Fazayeli, Monireh; Khatamian, Maasoumeh; Cruciani, Giuseppe
Anomalous inclusion of chloride ions in ethylenediammonium lead iodide turns 1D non-perovskite into a 2D perovskite structure
CrystEngComm, 2020, 22, 8063-8071
7241928 CIFC5 H12P b c n3.7996; 8.2477; 14.205
90; 90; 90
445.16Liu, X.; Pulham, C. R.
Pressure-induced phase separation of miscible liquids: 1 : 1 n-pentane/iso-pentane
CrystEngComm, 2020, 22, 8251-8255
7241997 CIFC13 H38 Mg2 N2 O21 Pt S4P n m a10.4292; 15.3858; 26.9006
90; 90; 90
4316.51Liebing, Phil; Oehler, Florian; Witzorke, Juliane; Schmeide, Marten
From zero- to three-dimensional heterobimetallic coordination polymers with the [Pt{SSC-N(CH2COO)2}2]4− metalloligand
CrystEngComm, 2020, 22, 7838-7846
7241998 CIFC10 H32 N2 Ni2 O20 Pt S4P -16.2643; 13.6027; 14.2439
117.142; 92.957; 99.353
1054.74Liebing, Phil; Oehler, Florian; Witzorke, Juliane; Schmeide, Marten
From zero- to three-dimensional heterobimetallic coordination polymers with the [Pt{SSC-N(CH2COO)2}2]4− metalloligand
CrystEngComm, 2020, 22, 7838-7846
7241999 CIFC10 H16 Cd2 N2 O12 Pt S4P -16.7533; 7.4688; 11.335
103.51; 97.371; 103.462
530.45Liebing, Phil; Oehler, Florian; Witzorke, Juliane; Schmeide, Marten
From zero- to three-dimensional heterobimetallic coordination polymers with the [Pt{SSC-N(CH2COO)2}2]4− metalloligand
CrystEngComm, 2020, 22, 7838-7846
7242000 CIFC10 H26 Mn2 N2 O17 Pt S4C 1 2/c 125.8063; 10.7668; 23.2567
90; 90.72; 90
6461.4Liebing, Phil; Oehler, Florian; Witzorke, Juliane; Schmeide, Marten
From zero- to three-dimensional heterobimetallic coordination polymers with the [Pt{SSC-N(CH2COO)2}2]4− metalloligand
CrystEngComm, 2020, 22, 7838-7846
7242001 CIFC10 H16 N2 O12 Pt S4 Sr2P -16.8663; 7.9281; 11.5395
94.147; 101.197; 114.893
550.53Liebing, Phil; Oehler, Florian; Witzorke, Juliane; Schmeide, Marten
From zero- to three-dimensional heterobimetallic coordination polymers with the [Pt{SSC-N(CH2COO)2}2]4− metalloligand
CrystEngComm, 2020, 22, 7838-7846
7242002 CIFC10 H36 Fe2 N2 O22 Pt S4P 1 21/n 16.319; 13.7134; 16.9778
90; 97.989; 90
1456.93Liebing, Phil; Oehler, Florian; Witzorke, Juliane; Schmeide, Marten
From zero- to three-dimensional heterobimetallic coordination polymers with the [Pt{SSC-N(CH2COO)2}2]4− metalloligand
CrystEngComm, 2020, 22, 7838-7846
7242003 CIFC10 H32 Co2 N2 O20 Pt S4P -16.2781; 13.6869; 14.2519
117.626; 92.748; 100.521
1054.34Liebing, Phil; Oehler, Florian; Witzorke, Juliane; Schmeide, Marten
From zero- to three-dimensional heterobimetallic coordination polymers with the [Pt{SSC-N(CH2COO)2}2]4− metalloligand
CrystEngComm, 2020, 22, 7838-7846
7242004 CIFC25 H18 N4 O8 SmP -110.5366; 10.7815; 12.2029
97.258; 98.196; 117.932
1182.32Liu, Dongmei; Dong, Gaoyun; Wang, Xiong; Nie, Fengmei; Li, Xia
A luminescent Eu coordination polymer with near-visible excitation for sensing and its homologues constructed from 1,4-benzenedicarboxylate and 1H-imidazo[4,5-f][1,10]-phenanthroline
CrystEngComm, 2020, 22, 7877-7887
7242005 CIFC50 H37 Dy2 N8 O16.5P -110.4665; 10.692; 12.2202
96.974; 98.572; 117.604
1169.68Liu, Dongmei; Dong, Gaoyun; Wang, Xiong; Nie, Fengmei; Li, Xia
A luminescent Eu coordination polymer with near-visible excitation for sensing and its homologues constructed from 1,4-benzenedicarboxylate and 1H-imidazo[4,5-f][1,10]-phenanthroline
CrystEngComm, 2020, 22, 7877-7887
7242006 CIFC25 H18 N4 O8 TbP -110.4833; 10.712; 12.2096
97.082; 98.465; 117.663
1172.06Liu, Dongmei; Dong, Gaoyun; Wang, Xiong; Nie, Fengmei; Li, Xia
A luminescent Eu coordination polymer with near-visible excitation for sensing and its homologues constructed from 1,4-benzenedicarboxylate and 1H-imidazo[4,5-f][1,10]-phenanthroline
CrystEngComm, 2020, 22, 7877-7887
7242007 CIFC25 H18 Eu N4 O8P -110.5279; 10.7664; 12.2112
97.308; 98.164; 117.842
1181.5Liu, Dongmei; Dong, Gaoyun; Wang, Xiong; Nie, Fengmei; Li, Xia
A luminescent Eu coordination polymer with near-visible excitation for sensing and its homologues constructed from 1,4-benzenedicarboxylate and 1H-imidazo[4,5-f][1,10]-phenanthroline
CrystEngComm, 2020, 22, 7877-7887
7242008 CIFC25 H18 Gd N4 O8P -110.502; 10.7425; 12.2129
97.093; 98.38; 117.775
1176.88Liu, Dongmei; Dong, Gaoyun; Wang, Xiong; Nie, Fengmei; Li, Xia
A luminescent Eu coordination polymer with near-visible excitation for sensing and its homologues constructed from 1,4-benzenedicarboxylate and 1H-imidazo[4,5-f][1,10]-phenanthroline
CrystEngComm, 2020, 22, 7877-7887
7242015 CIFC26 H28 N4 O6C 1 2/c 113.864; 12.086; 14.994
90; 111.62; 90
2336Tripathi, Suparna; Islam, Samiul; Seth, Saikat Kumar; Bauzá, Antonio; Frontera, Antonio; Mukhopadhyay, Subrata
Supramolecular assemblies involving salt bridges: DFT and X-ray evidence of bipolarity
CrystEngComm, 2020, 22, 8171-8181

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