Crystallography Open Database

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1551088 CIFO9 Pu W2P 1 21/m 15.868; 8.6979; 7.0601
90; 105.388; 90
347.42Cross, Justin; Lee, Tsung-Han; Kang, Chang-Jong; Yao, Yongxin; Cary, Samantha K.; Stritzinger, Jared; Polinski, Matthew; McKinley, Carla Dorothy; Albrecht-Schmitt, Thomas; Lanata, Nicola
Origins of the Odd Optical Observables in Plutonium and Americium Tungstates
Chemical Science, 2019
1551089 CIFH0 La O9 W2P 1 21/m 15.991; 8.736; 7.165
90; 106.044; 90
360.4Cross, Justin; Lee, Tsung-Han; Kang, Chang-Jong; Yao, Yongxin; Cary, Samantha K.; Stritzinger, Jared; Polinski, Matthew; McKinley, Carla Dorothy; Albrecht-Schmitt, Thomas; Lanata, Nicola
Origins of the Odd Optical Observables in Plutonium and Americium Tungstates
Chemical Science, 2019
1551090 CIFAm H O5 WP 1 21/n 15.3379; 12.626; 6.7606
90; 111.475; 90
424.01Cross, Justin; Lee, Tsung-Han; Kang, Chang-Jong; Yao, Yongxin; Cary, Samantha K.; Stritzinger, Jared; Polinski, Matthew; McKinley, Carla Dorothy; Albrecht-Schmitt, Thomas; Lanata, Nicola
Origins of the Odd Optical Observables in Plutonium and Americium Tungstates
Chemical Science, 2019
1551091 CIFNd O9 W2P 1 21/m 15.9121; 8.7194; 7.1024
90; 105.7; 90
352.47Cross, Justin; Lee, Tsung-Han; Kang, Chang-Jong; Yao, Yongxin; Cary, Samantha K.; Stritzinger, Jared; Polinski, Matthew; McKinley, Carla Dorothy; Albrecht-Schmitt, Thomas; Lanata, Nicola
Origins of the Odd Optical Observables in Plutonium and Americium Tungstates
Chemical Science, 2019
1551092 CIF
HKL
Paper
C24 H62 N2 O7 SP -16.9477; 10.8782; 20.8769
89.11; 87.052; 78.876
1546.13Liu, Jiapan; Di, Youying; Chen, Fengying
Dodecan-1-aminium sulfate trihydrate
IUCrData, 2019, 4, x190704
1551093 CIFC105 H77 Br Cu3 F9 N15 O12P -115.8225; 19.4848; 21.1157
70.092; 81.078; 72.501
5827.6Benyettou, Farah; Prakasam, Thirumurugan; Ramdas Nair, Anjana; Witzel, Ini-Isabee; Alhashimi, Marwa; Skorjanc, Tina; Olsen, John-Carl; Sadler, Kirsten C.; Trabolsi, Ali
Potent and selective in vitro and in vivo antiproliferative effects of metal–organic trefoil knots
Chemical Science, 2019
1551094 CIFC14 H17 N OP 1 21/c 17.469; 7.941; 19.929
90; 90.051; 90
1182Liu, Rai-Shung; Kulandai Raj, Antony Sekar; Tan, Kuo-Chen; Chen, Liang-Yu; Cheng, Mu-Jeng
Gold-catalyzed Bicyclic Annulations of 4-Methoxy-1,2-dienyl-5-ynes with Isoxazoles to Form Indolizine Derivatives via Au--Allene Intermediate
Chemical Science, 2019
1551095 CIFC20 H21 N OP -16.7561; 8.5826; 14.0541
90.518; 90.543; 103.168
793.41Liu, Rai-Shung; Kulandai Raj, Antony Sekar; Tan, Kuo-Chen; Chen, Liang-Yu; Cheng, Mu-Jeng
Gold-catalyzed Bicyclic Annulations of 4-Methoxy-1,2-dienyl-5-ynes with Isoxazoles to Form Indolizine Derivatives via Au--Allene Intermediate
Chemical Science, 2019
1551096 CIFC15 H10 Cl N OP 1 21/c 13.9037; 39.676; 7.6371
90; 98.326; 90
1170.4Liu, Rai-Shung; Kulandai Raj, Antony Sekar; Tan, Kuo-Chen; Chen, Liang-Yu; Cheng, Mu-Jeng
Gold-catalyzed Bicyclic Annulations of 4-Methoxy-1,2-dienyl-5-ynes with Isoxazoles to Form Indolizine Derivatives via Au--Allene Intermediate
Chemical Science, 2019
1551097 CIFC19 H18 Cl N OP -18.3841; 13.7451; 14.1044
90.77; 97.215; 94.98
1606Liu, Rai-Shung; Kulandai Raj, Antony Sekar; Tan, Kuo-Chen; Chen, Liang-Yu; Cheng, Mu-Jeng
Gold-catalyzed Bicyclic Annulations of 4-Methoxy-1,2-dienyl-5-ynes with Isoxazoles to Form Indolizine Derivatives via Au--Allene Intermediate
Chemical Science, 2019
1551098 CIFC21 H18 Cl N O3P 1 21/c 113.421; 9.1933; 14.5321
90; 91.484; 90
1792.4Liu, Rai-Shung; Kulandai Raj, Antony Sekar; Tan, Kuo-Chen; Chen, Liang-Yu; Cheng, Mu-Jeng
Gold-catalyzed Bicyclic Annulations of 4-Methoxy-1,2-dienyl-5-ynes with Isoxazoles to Form Indolizine Derivatives via Au--Allene Intermediate
Chemical Science, 2019
1551099 CIFC19 H19 N OP 1 21/n 19.257; 14.932; 11.4194
90; 109.589; 90
1487.09Liu, Rai-Shung; Kulandai Raj, Antony Sekar; Tan, Kuo-Chen; Chen, Liang-Yu; Cheng, Mu-Jeng
Gold-catalyzed Bicyclic Annulations of 4-Methoxy-1,2-dienyl-5-ynes with Isoxazoles to Form Indolizine Derivatives via Au--Allene Intermediate
Chemical Science, 2019
1551100 CIFC62.25 H80.37 N17.12 O13 PP 1 21/c 121.538; 15.2994; 51.669
90; 94.602; 90
16971Fan, Xiaoxia; Zhang, Dan; Jiang, Shiyu; Wang, Heng; Lin, Lin-Ting; Zheng, Bo; Xu, Wen-Hua; Zhao, Yanxia; Hay, Benjamin P.; Chan, Yi-Tsu; Yang, Xiao-Juan; Li, Xiaopeng; Wu, Biao
Construction and interconversion of anion-coordination-based (‘aniono’) grids and double helicates modulated by counter-cations
Chemical Science, 2019
1551101 CIFC95 H147 N17 O15 PC 1 2 122.5953; 26.3348; 19.0456
90; 103.18; 90
11034.4Fan, Xiaoxia; Zhang, Dan; Jiang, Shiyu; Wang, Heng; Lin, Lin-Ting; Zheng, Bo; Xu, Wen-Hua; Zhao, Yanxia; Hay, Benjamin P.; Chan, Yi-Tsu; Yang, Xiao-Juan; Li, Xiaopeng; Wu, Biao
Construction and interconversion of anion-coordination-based (‘aniono’) grids and double helicates modulated by counter-cations
Chemical Science, 2019
1551102 CIFC85 H126 N17 O17 PI 41/a35.9168; 35.9168; 32.8056
90; 90; 90
42320Fan, Xiaoxia; Zhang, Dan; Jiang, Shiyu; Wang, Heng; Lin, Lin-Ting; Zheng, Bo; Xu, Wen-Hua; Zhao, Yanxia; Hay, Benjamin P.; Chan, Yi-Tsu; Yang, Xiao-Juan; Li, Xiaopeng; Wu, Biao
Construction and interconversion of anion-coordination-based (‘aniono’) grids and double helicates modulated by counter-cations
Chemical Science, 2019
1551103 CIF
Paper
C8 H19 N O3P 1 21 19.6559; 29.8416; 30.1248
90; 98.54; 90
8584.1Khandavilli, U. B. Rao; Lusi, Matteo; Frawley, Patrick J.
Plasticity in zwitterionic drugs: the bending properties of Pregabalin and Gabapentin and their hydrates
IUCrJ, 2019, 6
1551104 CIFC8 H19 N O3C 1 2 19.566; 7.44; 15.911
90; 101.54; 90
1109.5Khandavilli, U. B. Rao; Lusi, Matteo; Frawley, Patrick J.
Plasticity in zwitterionic drugs: the bending properties of Pregabalin and Gabapentin and their hydrates
IUCrJ, 2019, 6
1551110 CIFC18 H16 N4 O5P 1 21/n 18.0803; 13.8722; 14.7217
90; 95.773; 90
1641.81Sumitra N. Mangasuli; Kallappa M. Hosamani; Praveen B. Managutti
Microwave assisted synthesis of coumarin-purine derivatives: An approach to in vitro anti-oxidant, DNA cleavage, crystal structure, DFT studies and Hirshfeld surface analysis
Heliyon, 2019, 5, e01131
1551111 CIFC16 H28 Co N6 S4P b c m8.5881; 24.4244; 11.4808
90; 90; 90
2408.2A. A. Bagabasa; M. Alsawalha; M. Sohail; S. Alhoshan; R. Arasheed
Synthesis, crystal structure, and characterization of cyclohexylammonium tetraisothiocyanatocobaltate(II): A single-source precursor for cobalt sulfide and oxide nanostructures
Heliyon, 2019, 5, e01139
1551112 CIFC20 H16 Cl3 F6 N O S TiP 1 21/c 17.0364; 21.638; 15.514
90; 96.356; 90
2347.5Ji, Li; Liu, Jia-Shuai; Wang, Xiao-Yan; Li, Jun-Fang; Chen, Zhou; Liao, Saihu; Sun, Xiu-Li; Tang, Yong
An efficient and mild route to highly fluorinated polyolefins via copolymerization of ethylene and 5-perfluoroalkylnorbornenes
Polymer Chemistry, 2019, 10, 3604
1551113 CIFC20 H22 Cl3 N O S TiP 1 21/n 111.7525; 13.7868; 15.8335
90; 99.701; 90
2528.8Ji, Li; Liu, Jia-Shuai; Wang, Xiao-Yan; Li, Jun-Fang; Chen, Zhou; Liao, Saihu; Sun, Xiu-Li; Tang, Yong
An efficient and mild route to highly fluorinated polyolefins via copolymerization of ethylene and 5-perfluoroalkylnorbornenes
Polymer Chemistry, 2019, 10, 3604
1551142 CIFC24 H31 B N2P 21 21 217.5586; 9.2085; 30.8403
90; 90; 90
2146.59Chuzel, Olivier; Aupic, Clara; Abdou-Mohamed, Amel; Figliola, Calrlotta; Nava, Paola; Tuccio, Beatrice; Chouraqui, Gaëlle; Parrain, Jean-Luc
Highly diastereoselective preparation of chiral NHC-boranes stereogenic at boron atom.
Chemical Science, 2019
1551143 CIFC23 H29 B N2P 21 21 218.5612; 15.4461; 15.9652
90; 90; 90
2111.19Chuzel, Olivier; Aupic, Clara; Abdou-Mohamed, Amel; Figliola, Calrlotta; Nava, Paola; Tuccio, Beatrice; Chouraqui, Gaëlle; Parrain, Jean-Luc
Highly diastereoselective preparation of chiral NHC-boranes stereogenic at boron atom.
Chemical Science, 2019
1551144 CIFC23 H29 B N2 OP 21 21 217.7655; 12.1708; 22.3907
90; 90; 90
2116.2Chuzel, Olivier; Aupic, Clara; Abdou-Mohamed, Amel; Figliola, Calrlotta; Nava, Paola; Tuccio, Beatrice; Chouraqui, Gaëlle; Parrain, Jean-Luc
Highly diastereoselective preparation of chiral NHC-boranes stereogenic at boron atom.
Chemical Science, 2019
1551145 CIFC30 H41 Br3 N2 SiP -19.3302; 9.63981; 19.2808
87.0024; 88.5252; 67.0902
1595.14Roy, Matthew M. D.; Ferguson, Michael J.; McDonald, Robert; Zhou, Yuqiao; Rivard, Eric
A Vinyl Silylsilylene and its Activation of Strong Homo- and Heteroatomic Bonds
Chemical Science, 2019
1551146 CIFC39 H69 Cl3 N2 Si6P 1 21/n 110.4358; 19.1606; 24.4753
90; 95.466; 90
4871.7Roy, Matthew M. D.; Ferguson, Michael J.; McDonald, Robert; Zhou, Yuqiao; Rivard, Eric
A Vinyl Silylsilylene and its Activation of Strong Homo- and Heteroatomic Bonds
Chemical Science, 2019
1551147 CIFC39 H68 N2 Si5P -110.3993; 12.5264; 18.4455
88.449; 85.965; 75.29
2318.2Roy, Matthew M. D.; Ferguson, Michael J.; McDonald, Robert; Zhou, Yuqiao; Rivard, Eric
A Vinyl Silylsilylene and its Activation of Strong Homo- and Heteroatomic Bonds
Chemical Science, 2019
1551148 CIFC40 H69 N3 Si5P 1 21/m 111.361; 18.2937; 11.6759
90; 105.758; 90
2335.45Roy, Matthew M. D.; Ferguson, Michael J.; McDonald, Robert; Zhou, Yuqiao; Rivard, Eric
A Vinyl Silylsilylene and its Activation of Strong Homo- and Heteroatomic Bonds
Chemical Science, 2019
1551149 CIFC39 H64 N2 P4 Si5P -110.1314; 13.5879; 18.6001
78.391; 85.188; 77.406
2445.7Roy, Matthew M. D.; Ferguson, Michael J.; McDonald, Robert; Zhou, Yuqiao; Rivard, Eric
A Vinyl Silylsilylene and its Activation of Strong Homo- and Heteroatomic Bonds
Chemical Science, 2019
1551150 CIFC41 H71 F3 N2 O3 S Si5P 1 21/c 120.6562; 13.3097; 19.844
90; 109.658; 90
5137.7Roy, Matthew M. D.; Ferguson, Michael J.; McDonald, Robert; Zhou, Yuqiao; Rivard, Eric
A Vinyl Silylsilylene and its Activation of Strong Homo- and Heteroatomic Bonds
Chemical Science, 2019
1551151 CIFC44 H71 B Mg N4 O2P b c a21.3924; 18.277; 22.9162
90; 90; 90
8959.98Pecharman, Anne-Frederique; Hill, Michael; McMullon, Grace; McMullin, Claire; Mahon, Mary F.
Snapshots of Magnesium-Centred Diborane Heterolysis by an Outer Sphere SN2 Process
Chemical Science, 2019
1551152 CIFC46 H68 B Mg N3 O2P 1 21/c 123.0251; 18.0591; 22.6756
90; 112.285; 90
8724.55Pecharman, Anne-Frederique; Hill, Michael; McMullon, Grace; McMullin, Claire; Mahon, Mary F.
Snapshots of Magnesium-Centred Diborane Heterolysis by an Outer Sphere SN2 Process
Chemical Science, 2019
1551153 CIFC54 H68 B Mg N3 O2P 1 21/n 112.10496; 22.2539; 18.11019
90; 98.9416; 90
4819.28Pecharman, Anne-Frederique; Hill, Michael; McMullon, Grace; McMullin, Claire; Mahon, Mary F.
Snapshots of Magnesium-Centred Diborane Heterolysis by an Outer Sphere SN2 Process
Chemical Science, 2019
1551154 CIFC46 H68 B Mg N3 O2P b c a20.5267; 19.7717; 21.7073
90; 90; 90
8809.86Pecharman, Anne-Frederique; Hill, Michael; McMullon, Grace; McMullin, Claire; Mahon, Mary F.
Snapshots of Magnesium-Centred Diborane Heterolysis by an Outer Sphere SN2 Process
Chemical Science, 2019
1551155 CIFC48 H64 B Mg N3 O2P 1 21/c 111.8747; 20.2674; 18.1008
90; 90.243; 90
4356.3Pecharman, Anne-Frederique; Hill, Michael; McMullon, Grace; McMullin, Claire; Mahon, Mary F.
Snapshots of Magnesium-Centred Diborane Heterolysis by an Outer Sphere SN2 Process
Chemical Science, 2019
1551156 CIFC54 H75 B Mg N4 O2C 1 c 118.6101; 15.4868; 17.9575
90; 103.065; 90
5041.6Pecharman, Anne-Frederique; Hill, Michael; McMullon, Grace; McMullin, Claire; Mahon, Mary F.
Snapshots of Magnesium-Centred Diborane Heterolysis by an Outer Sphere SN2 Process
Chemical Science, 2019
1551157 CIFC57 H75 B Mg N3 O2P 1 21/c 111.9947; 21.8853; 19.2733
90; 98.837; 90
4999.33Pecharman, Anne-Frederique; Hill, Michael; McMullon, Grace; McMullin, Claire; Mahon, Mary F.
Snapshots of Magnesium-Centred Diborane Heterolysis by an Outer Sphere SN2 Process
Chemical Science, 2019
1551158 CIFC48 H64 B Mg N3 O2P -111.0413; 11.5237; 17.5561
82.531; 82.771; 84.24
2189.2Pecharman, Anne-Frederique; Hill, Michael; McMullon, Grace; McMullin, Claire; Mahon, Mary F.
Snapshots of Magnesium-Centred Diborane Heterolysis by an Outer Sphere SN2 Process
Chemical Science, 2019
1551159 CIF
HKL
Paper
C24 H26 S2P 1 21/c 18.4487; 23.7284; 10.4078
90; 104.698; 90
2018.22Garita-Salazar, Bruno; Pineda, Leslie W.
1,3-Bis{[(2,6-dimethylphenyl)sulfanyl]methyl}benzene
IUCrData, 2019, 4, x190677
1551160 CIFC142 H129 Au11 Cl9 N2 P7P -116.321; 16.896; 27.357
107.097; 95.666; 92.215
7157Mina R. Narouz; Kimberly M. Osten; Phillip J. Unsworth; Renee W. Y. Man; Kirsi Salorinne; Shinjiro Takano; Ryohei Tomihara; Sami Kaappa; Sami Malola; Cao-Thang Dinh; J. Daniel Padmos; Kennedy Ayoo; Patrick J. Garrett; Masakazu Nambo; J. Hugh Horton; Edward H. Sargent; Hannu Hakkinen; Tatsuya Tsukuda; Cathleen M. Crudden
N-heterocyclic carbene-functionalized magic-number gold nanoclusters
Nature Chemistry, 2019, 11, 419-425
1551162 CIFC26 H30 B N O5 SP -19.6282; 11.0221; 13.0273
91.05; 109.419; 94.574
1298.2Tombul, Mustafa
Crystal Structure of Tertiarybutyl Ammonium Bis[(naphthalene-2,3-diolato)borate] Dimethyl Sulfoxide Solvate
X-ray Structure Analysis Online, 2019, 35, 3
1551163 CIFC40 H46 N8 O14 Yb2P -110.4586; 10.5142; 11.4718
66.542; 65.408; 79.755
1052.1Brunet, Gabriel; Marin, Riccardo; Monks, Melissa-Jane; Resch-Genger, Ute; Galico, Diogo Alves; Sigoli, Fernando Aparecido; Suturina, Elizaveta A.; Hemmer, Eva; Murugesu, Muralee
Exploring the dual functionality of an ytterbium complex for molecular optical thermometry and slow magnetic relaxation
Chemical Science, 2019
1551164 CIFC228 H204 Cu24 N12 O144I 4/m28.6201; 28.6201; 39.803
90; 90; 90
32603Niu, Zheng; Wang, Lei; Fang, Sheng; Lan, Pui Ching; Aguila, Briana; Perman, Jason A.; Ma, Jian-Gong; Cheng, Peng; Li, Xiaopeng; Ma, Shengqian
Solvent-assisted coordination driven assembly of a supramolecular architecture featuring two types of connectivity from discrete nanocages
Chemical Science, 2019
1551165 CIFC198 H145 Cu24 O139 SP -124.5209; 25.3703; 37.0128
88.01; 79.07; 75.949
21930.1Niu, Zheng; Wang, Lei; Fang, Sheng; Lan, Pui Ching; Aguila, Briana; Perman, Jason A.; Ma, Jian-Gong; Cheng, Peng; Li, Xiaopeng; Ma, Shengqian
Solvent-assisted coordination driven assembly of a supramolecular architecture featuring two types of connectivity from discrete nanocages
Chemical Science, 2019
1551166 CIFC33 H24 O12P -3 1 c12.2358; 12.2358; 33.86
90; 90; 120
4390.2Zhou, Yue; Kan, Liang; Eubank, Jarrod F.; Li, Guanghua; Zhang, Lirong; Liu, Yunling
Self-assembly of two robust 3D supramolecular organic frameworks from a geometrically non-planar molecule for high gas selectivity performance
Chemical Science, 2019
1551167 CIFC41 H40 O16P -6 2 c22.67; 22.67; 16.778
90; 90; 120
7467.5Zhou, Yue; Kan, Liang; Eubank, Jarrod F.; Li, Guanghua; Zhang, Lirong; Liu, Yunling
Self-assembly of two robust 3D supramolecular organic frameworks from a geometrically non-planar molecule for high gas selectivity performance
Chemical Science, 2019
1551168 CIFC33 H22 N4P -13.8653; 15.5368; 19.505
101.55; 91.474; 94.709
1142.7Sharma, Nidhi; Spuling, Eduard; Mattern, Cornelia; Li, Wenbo; Fuhr, Olaf; Tsuchiya, Youichi; Adachi, Chihaya; Braese, Stefan; Samuel, Ifor; Zysman-Colman, Eli
Turn on of Sky-Blue Thermally Activated Delayed Fluorescence and Circularly Polarized Luminescence (CPL) via Increased Torsion by a Bulky Carbazolophane Donor
Chemical Science, 2019
1551169 CIFC43 H32 N4P 1 21/c 115.6193; 13.7087; 14.6312
90; 94.394; 90
3123.63Sharma, Nidhi; Spuling, Eduard; Mattern, Cornelia; Li, Wenbo; Fuhr, Olaf; Tsuchiya, Youichi; Adachi, Chihaya; Braese, Stefan; Samuel, Ifor; Zysman-Colman, Eli
Turn on of Sky-Blue Thermally Activated Delayed Fluorescence and Circularly Polarized Luminescence (CPL) via Increased Torsion by a Bulky Carbazolophane Donor
Chemical Science, 2019
1551170 CIFC41 H54 F3 N Ni P2P 1 21/c 116.8932; 36.282; 13.0079
90; 103.787; 90
7743.1Tobisu, Mamoru; Morioka, Toshifumi; Nakatani, Syun; Sakamoto, Yuki; Kodama, Takuya; Ogoshi, Sensuke; Chatani, Naoto
Nickel-Catalyzed Decarbonylation of N-Acylated N-Heteroarenes
Chemical Science, 2019
1551171 CIFC41 H61 N Ni O P2P 1 21/c 113.2163; 19.2858; 17.1259
90; 111.81; 90
4052.71Tobisu, Mamoru; Morioka, Toshifumi; Nakatani, Syun; Sakamoto, Yuki; Kodama, Takuya; Ogoshi, Sensuke; Chatani, Naoto
Nickel-Catalyzed Decarbonylation of N-Acylated N-Heteroarenes
Chemical Science, 2019
1551172 CIFC24 H42 Cl5 F3 N4 O3 P2 SP c a 2111.51562; 10.67077; 29.25903
90; 90; 90
3595.37Weigand, Jan J.; Schwedtmann, Kai; Haberstroh, Jan; Roediger, Sven; Hennersdorf, Felix; Frontera, Antonio; Bauza, Antonio
Formation of an imidazoliumyl-substituted [(LC)4P4]4+ tetracation and transition metal mediated fragmentation and insertion reaction (LC = NHC)
Chemical Science, 2019
1551173 CIFC28 H40 F6 Fe N4 O10 P2 S2P 1 21/n 114.4005; 15.3233; 17.8619
90; 100.914; 90
3870.17Weigand, Jan J.; Schwedtmann, Kai; Haberstroh, Jan; Roediger, Sven; Hennersdorf, Felix; Frontera, Antonio; Bauza, Antonio
Formation of an imidazoliumyl-substituted [(LC)4P4]4+ tetracation and transition metal mediated fragmentation and insertion reaction (LC = NHC)
Chemical Science, 2019
1551174 CIFC78 H85 F9 N4 O6 P4 Pt S2P 1 21/n 114.98968; 19.89396; 25.71449
90; 91.6799; 90
7664.87Weigand, Jan J.; Schwedtmann, Kai; Haberstroh, Jan; Roediger, Sven; Hennersdorf, Felix; Frontera, Antonio; Bauza, Antonio
Formation of an imidazoliumyl-substituted [(LC)4P4]4+ tetracation and transition metal mediated fragmentation and insertion reaction (LC = NHC)
Chemical Science, 2019
1551175 CIFC39.44 H66.01 Cl3.37 F9 N6.88 O9 P7 S3P -113.83853; 17.90754; 27.296
101.396; 103.333; 104.366
6138.79Weigand, Jan J.; Schwedtmann, Kai; Haberstroh, Jan; Roediger, Sven; Hennersdorf, Felix; Frontera, Antonio; Bauza, Antonio
Formation of an imidazoliumyl-substituted [(LC)4P4]4+ tetracation and transition metal mediated fragmentation and insertion reaction (LC = NHC)
Chemical Science, 2019
1551176 CIFC52 H85 F12 N10 O12 P4 S4P 1 21/c 119.31294; 16.76136; 23.1443
90; 105.425; 90
7222.19Weigand, Jan J.; Schwedtmann, Kai; Haberstroh, Jan; Roediger, Sven; Hennersdorf, Felix; Frontera, Antonio; Bauza, Antonio
Formation of an imidazoliumyl-substituted [(LC)4P4]4+ tetracation and transition metal mediated fragmentation and insertion reaction (LC = NHC)
Chemical Science, 2019
1551177 CIFC36 H60 F9 N6 O9 P3 S3P 1 21/c 123.067; 12.77419; 16.5509
90; 103.711; 90
4737.95Weigand, Jan J.; Schwedtmann, Kai; Haberstroh, Jan; Roediger, Sven; Hennersdorf, Felix; Frontera, Antonio; Bauza, Antonio
Formation of an imidazoliumyl-substituted [(LC)4P4]4+ tetracation and transition metal mediated fragmentation and insertion reaction (LC = NHC)
Chemical Science, 2019
1551178 CIFC78 H85 F9 N4 O6 P4 Pd S2P 1 21/n 115.0248; 19.8179; 25.712
90; 91.309; 90
7654.01Weigand, Jan J.; Schwedtmann, Kai; Haberstroh, Jan; Roediger, Sven; Hennersdorf, Felix; Frontera, Antonio; Bauza, Antonio
Formation of an imidazoliumyl-substituted [(LC)4P4]4+ tetracation and transition metal mediated fragmentation and insertion reaction (LC = NHC)
Chemical Science, 2019
1551179 CIFC49.5 H85 Au Cl7 F9 N8 O9 P4 S3P 1 21/c 130.6491; 11.9065; 20.2311
90; 91.738; 90
7379.4Weigand, Jan J.; Schwedtmann, Kai; Haberstroh, Jan; Roediger, Sven; Hennersdorf, Felix; Frontera, Antonio; Bauza, Antonio
Formation of an imidazoliumyl-substituted [(LC)4P4]4+ tetracation and transition metal mediated fragmentation and insertion reaction (LC = NHC)
Chemical Science, 2019
1551180 CIFC32 H30 N4 O8 SP 21 21 217.7277; 11.2221; 35.0781
90; 90; 90
3042.01Lei, Xiaoguang; Zhang, Jian; Zhao, Tianhu; Yang, Rongwen; Siridechakorn, Ittipon; Wang, Sanshan; Guo, Qianqian; Bai, Yingjie; Shen, Hong C.
De Novo Synthesis, Structural Assignment and Biological Evaluation of Pseudopaline, a Metallophore Produced by Pseudomonas aeruginosa
Chemical Science, 2019
1551181 CIFC51 H53 Cl6 N5 O18 S2P 1 21 114.5442; 14.2345; 14.746
90; 106.978; 90
2919.8Lei, Xiaoguang; Zhang, Jian; Zhao, Tianhu; Yang, Rongwen; Siridechakorn, Ittipon; Wang, Sanshan; Guo, Qianqian; Bai, Yingjie; Shen, Hong C.
De Novo Synthesis, Structural Assignment and Biological Evaluation of Pseudopaline, a Metallophore Produced by Pseudomonas aeruginosa
Chemical Science, 2019
1551182 CIFC38 H34 O2 Si2P -111.2379; 13.1495; 20.9319
93.009; 93.589; 92.791
3078.6Mitake, Akihito; Nagai, Rikako; Sekine, Ayato; Takano, Hideaki; Sugimura, Natsuhiko; Kanyiva, Kyalo Stephen; Shibata, Takanori
Consecutive HDDA and TDDA reactions of silicon-tethered tetraynes for the synthesis of dibenzosilole-fused polycyclic compounds and their unique reactivity
Chemical Science, 2019
1551183 CIFC38 H34 O4 Si2P 1 21/c 116.808; 12.2273; 15.6775
90; 100.516; 90
3167.87Mitake, Akihito; Nagai, Rikako; Sekine, Ayato; Takano, Hideaki; Sugimura, Natsuhiko; Kanyiva, Kyalo Stephen; Shibata, Takanori
Consecutive HDDA and TDDA reactions of silicon-tethered tetraynes for the synthesis of dibenzosilole-fused polycyclic compounds and their unique reactivity
Chemical Science, 2019
1551184 CIFC50 H42 O2 Si2P 1 21/c 110.8703; 19.3209; 19.3242
90; 99.584; 90
4001.9Mitake, Akihito; Nagai, Rikako; Sekine, Ayato; Takano, Hideaki; Sugimura, Natsuhiko; Kanyiva, Kyalo Stephen; Shibata, Takanori
Consecutive HDDA and TDDA reactions of silicon-tethered tetraynes for the synthesis of dibenzosilole-fused polycyclic compounds and their unique reactivity
Chemical Science, 2019
1551185 CIFC104 H100 O4 Si4P -112.7536; 17.2029; 20.3205
80.9256; 82.2909; 71.3225
4153.94Mitake, Akihito; Nagai, Rikako; Sekine, Ayato; Takano, Hideaki; Sugimura, Natsuhiko; Kanyiva, Kyalo Stephen; Shibata, Takanori
Consecutive HDDA and TDDA reactions of silicon-tethered tetraynes for the synthesis of dibenzosilole-fused polycyclic compounds and their unique reactivity
Chemical Science, 2019
1551187 CIFC66 H52 P2 S6 TiP -113.87; 14.04; 33.318
100.25; 91.957; 119.364
5508Fataftah, Majed S.; Krzyaniak, Matthew D.; Vlaisavljevich, Bess; Wasielewski, Michael R.; Zadrozny, Joseph; Freedman, Danna
Metal-Ligand Covalency Enables Room Temperature Molecular Qubit Candidates
Chemical Science, 2019
1551188 CIFC66 H52 P2 Se6 VC 1 2/c 125.121; 13.7709; 17.8697
90; 113.957; 90
5649.3Fataftah, Majed S.; Krzyaniak, Matthew D.; Vlaisavljevich, Bess; Wasielewski, Michael R.; Zadrozny, Joseph; Freedman, Danna
Metal-Ligand Covalency Enables Room Temperature Molecular Qubit Candidates
Chemical Science, 2019
1551189 CIFC60 H48 Ni P2 Se4P 1 21/n 111.166; 14.8566; 14.9901
90; 94.939; 90
2477.5Fataftah, Majed S.; Krzyaniak, Matthew D.; Vlaisavljevich, Bess; Wasielewski, Michael R.; Zadrozny, Joseph; Freedman, Danna
Metal-Ligand Covalency Enables Room Temperature Molecular Qubit Candidates
Chemical Science, 2019
1551190 CIFC66 H52 P2 Se6 TiC 1 2/c 125.191; 13.8608; 17.8294
90; 114.114; 90
5682.2Fataftah, Majed S.; Krzyaniak, Matthew D.; Vlaisavljevich, Bess; Wasielewski, Michael R.; Zadrozny, Joseph; Freedman, Danna
Metal-Ligand Covalency Enables Room Temperature Molecular Qubit Candidates
Chemical Science, 2019
1551191 CIFC60 H48 Cu P2 Se4P 1 21/n 111.1972; 15.0275; 15.2359
90; 94.517; 90
2555.7Fataftah, Majed S.; Krzyaniak, Matthew D.; Vlaisavljevich, Bess; Wasielewski, Michael R.; Zadrozny, Joseph; Freedman, Danna
Metal-Ligand Covalency Enables Room Temperature Molecular Qubit Candidates
Chemical Science, 2019
1551192 CIFC60 H48 Ni P2 S4P 1 21/n 111.1212; 14.6404; 14.8691
90; 95.168; 90
2411.1Fataftah, Majed S.; Krzyaniak, Matthew D.; Vlaisavljevich, Bess; Wasielewski, Michael R.; Zadrozny, Joseph; Freedman, Danna
Metal-Ligand Covalency Enables Room Temperature Molecular Qubit Candidates
Chemical Science, 2019
1551193 CIFC66 H52 P2 S6 VP -113.7448; 14.0207; 33.4597
77.929; 88.111; 60.715
5481.4Fataftah, Majed S.; Krzyaniak, Matthew D.; Vlaisavljevich, Bess; Wasielewski, Michael R.; Zadrozny, Joseph; Freedman, Danna
Metal-Ligand Covalency Enables Room Temperature Molecular Qubit Candidates
Chemical Science, 2019
1551194 CIF
HKL
Paper
Ba H2 O4 TeP 1 21/a 18.6061; 7.582; 7.7252
90; 105.88; 90
484.843Weil, Matthias
Redetermination of the crystal structure of BaTeO3(H2O), including the localization of the hydrogen atoms
IUCrData, 2019, 4, x190770
1551195 CIFC20 H23 Cl N2 O RuP 1 21/c 116.35; 7.9427; 14.551
90; 102.037; 90
1848.1Alharis, Raed A.; McMullin, Claire L.; Davies, David L.; Singh, Kuldip; Macgregor, Stuart Alan
Understanding Electronic Effects on Carboxylate-Assisted C‒H Activation at Ruthenium: The Importance of Kinetic and Thermodynamic Control.
Faraday Discussions, 2019
1551196 CIFC19 H20 Cl F N2 RuP 1 21/n 17.8975; 12.039; 18.458
90; 98.777; 90
1734.4Alharis, Raed A.; McMullin, Claire L.; Davies, David L.; Singh, Kuldip; Macgregor, Stuart Alan
Understanding Electronic Effects on Carboxylate-Assisted C‒H Activation at Ruthenium: The Importance of Kinetic and Thermodynamic Control.
Faraday Discussions, 2019
1551197 CIFC20 H20 Cl F3 N2 RuP -17.9136; 10.349; 11.554
96.208; 95.953; 91.935
934.7Alharis, Raed A.; McMullin, Claire L.; Davies, David L.; Singh, Kuldip; Macgregor, Stuart Alan
Understanding Electronic Effects on Carboxylate-Assisted C‒H Activation at Ruthenium: The Importance of Kinetic and Thermodynamic Control.
Faraday Discussions, 2019
1551198 CIFC19 H20 Cl F N2 RuP 1 21/c 116.227; 7.9265; 14.503
90; 111.776; 90
1732.3Alharis, Raed A.; McMullin, Claire L.; Davies, David L.; Singh, Kuldip; Macgregor, Stuart Alan
Understanding Electronic Effects on Carboxylate-Assisted C‒H Activation at Ruthenium: The Importance of Kinetic and Thermodynamic Control.
Faraday Discussions, 2019
1551199 CIFC19 H20 Cl N3 O2 RuP -17.846; 10.387; 11.278
98.23; 96.173; 91.436
903.6Alharis, Raed A.; McMullin, Claire L.; Davies, David L.; Singh, Kuldip; Macgregor, Stuart Alan
Understanding Electronic Effects on Carboxylate-Assisted C‒H Activation at Ruthenium: The Importance of Kinetic and Thermodynamic Control.
Faraday Discussions, 2019
1551200 CIFC39 H54 Ni O3 P2P -111.0922; 11.6999; 15.947
72.262; 71.267; 81.633
1864.1Tran, Thi V.; Nguyen, Yennie H.; Do, Loi H.
Development of highly productive nickel‒sodium phenoxyphosphine ethylene polymerization catalysts and their reaction temperature profiles
Polymer Chemistry, 2019, 10, 3718
1551201 CIFC70 H62 B F24 Na Ni O7 P2P 1 21/c 121.7805; 17.3222; 19.7901
90; 102.54; 90
7288.4Tran, Thi V.; Nguyen, Yennie H.; Do, Loi H.
Development of highly productive nickel‒sodium phenoxyphosphine ethylene polymerization catalysts and their reaction temperature profiles
Polymer Chemistry, 2019, 10, 3718
1551202 CIFC27 H23 Mg2 N5 O9P 1 21 19.8763; 13.0177; 10.6775
90; 100.843; 90
1348.26Nandi, Shyamapada; De Luna, Phil; Maity, Rahul; Chakraborty, Debanjan; Daff, Thomas; Burns, Thomas; Woo, Tom K.; Vaidhyanathan, Ramanathan
Imparting gas selective and pressure dependent porosity into a non-porous solid via coordination flexibility
Materials Horizons, 2019, 6, 1883
1551203 CIFC16 H16 Cu N2 O5P 1 21/c 111.4487; 12.36; 12.3919
90; 117.201; 90
1559.6Nandi, Shyamapada; De Luna, Phil; Maity, Rahul; Chakraborty, Debanjan; Daff, Thomas; Burns, Thomas; Woo, Tom K.; Vaidhyanathan, Ramanathan
Imparting gas selective and pressure dependent porosity into a non-porous solid via coordination flexibility
Materials Horizons, 2019, 6, 1883
1551204 CIFC52 H142 N7 Na O7 Si12 Th2P 1 21/c 112.391; 23.18; 29.92
90; 90.96; 90
8593Staun, Selena L.; Sergentu, Dumitru-Claudiu; Wu, Guang; Autschbach, Jochen; Hayton, Trevor W.
Use of <sup>15</sup> N NMR spectroscopy to probe covalency in a thorium nitride
Chemical Science, 2019, 10, 6431-6436
1551205 CIFC56 H148 K N7 O8 Si12 Th2P -111.893; 14.617; 14.62
74.546; 71.051; 71.238
2238.5Staun, Selena L.; Sergentu, Dumitru-Claudiu; Wu, Guang; Autschbach, Jochen; Hayton, Trevor W.
Use of <sup>15</sup> N NMR spectroscopy to probe covalency in a thorium nitride
Chemical Science, 2019, 10, 6431-6436
1551206 CIFC18 H56 N4 Si6 ThR -3 c :H18.497; 18.497; 16.973
90; 90; 120
5029Staun, Selena L.; Sergentu, Dumitru-Claudiu; Wu, Guang; Autschbach, Jochen; Hayton, Trevor W.
Use of <sup>15</sup> N NMR spectroscopy to probe covalency in a thorium nitride
Chemical Science, 2019, 10, 6431-6436
1551207 CIFC67 H117 N Si2C 1 2/c 134.673; 12.09; 17.728
90; 119.214; 90
6486.2Hashimoto, Hikaru; Inagaki, Yusuke; Momma, Hiroyuki; Kwon, Eunsang; Yamaguchi, Kentaro; Setaka, Wataru
Polarized fluorescence of a crystal having uniaxially oriented molecules by a carbazole-diyl-bridged macrocage
CrystEngComm, 2019, 21, 3910
1551208 CIFC19 H27 N Si2P 1 21/n 115.104; 6.317; 20.8662
90; 96.345; 90
1978.7Hashimoto, Hikaru; Inagaki, Yusuke; Momma, Hiroyuki; Kwon, Eunsang; Yamaguchi, Kentaro; Setaka, Wataru
Polarized fluorescence of a crystal having uniaxially oriented molecules by a carbazole-diyl-bridged macrocage
CrystEngComm, 2019, 21, 3910
1551209 CIFC44 H60 B2 Mg2 N4 O6P 1 21/c 19.0637; 14.0668; 16.2694
90; 93.484; 90
2070.47Li, Nan; Zhao, Zifeng; Yu, Chao; Wu, Botao; Bian, Zuqiang; Zhang, Wen-Xiong; Xi, Zhenfeng
Alkaline-earth metallacyclic complexes bearing a diborane-bridged tetraamide ligand: synthesis, structure and fluorescence property.
Dalton transactions (Cambridge, England : 2003), 2019, 48, 9067-9071
1551210 CIFC56 H120 B2 Ca2 N22 O6 P6P 1 21/c 112.5167; 23.8825; 14.1982
90; 112.347; 90
3925.5Li, Nan; Zhao, Zifeng; Yu, Chao; Wu, Botao; Bian, Zuqiang; Zhang, Wen-Xiong; Xi, Zhenfeng
Alkaline-earth metallacyclic complexes bearing a diborane-bridged tetraamide ligand: synthesis, structure and fluorescence property.
Dalton transactions (Cambridge, England : 2003), 2019, 48, 9067-9071
1551211 CIFC48 H94 B2 N16 O5 P4 SrC 1 2/c 117.0218; 17.4203; 21.4191
90; 100.718; 90
6240.5Li, Nan; Zhao, Zifeng; Yu, Chao; Wu, Botao; Bian, Zuqiang; Zhang, Wen-Xiong; Xi, Zhenfeng
Alkaline-earth metallacyclic complexes bearing a diborane-bridged tetraamide ligand: synthesis, structure and fluorescence property.
Dalton transactions (Cambridge, England : 2003), 2019, 48, 9067-9071
1551212 CIFC40 H54 B2 Mg N4 O5P 1 21/c 111.2144; 29.474; 11.6873
90; 101.772; 90
3781.8Li, Nan; Zhao, Zifeng; Yu, Chao; Wu, Botao; Bian, Zuqiang; Zhang, Wen-Xiong; Xi, Zhenfeng
Alkaline-earth metallacyclic complexes bearing a diborane-bridged tetraamide ligand: synthesis, structure and fluorescence property.
Dalton transactions (Cambridge, England : 2003), 2019, 48, 9067-9071
1551213 CIFC56 H120 B2 N22 O6 P6 Sr2P 1 21/c 114.3034; 23.7498; 23.2747
90; 99.702; 90
7793.4Li, Nan; Zhao, Zifeng; Yu, Chao; Wu, Botao; Bian, Zuqiang; Zhang, Wen-Xiong; Xi, Zhenfeng
Alkaline-earth metallacyclic complexes bearing a diborane-bridged tetraamide ligand: synthesis, structure and fluorescence property.
Dalton transactions (Cambridge, England : 2003), 2019, 48, 9067-9071
1551214 CIFC44 H86 B2 Ca N16 O4 P4P 1 21/c 122.1723; 14.0207; 20.0498
90; 106.43; 90
5978.4Li, Nan; Zhao, Zifeng; Yu, Chao; Wu, Botao; Bian, Zuqiang; Zhang, Wen-Xiong; Xi, Zhenfeng
Alkaline-earth metallacyclic complexes bearing a diborane-bridged tetraamide ligand: synthesis, structure and fluorescence property.
Dalton transactions (Cambridge, England : 2003), 2019, 48, 9067-9071
1551215 CIFC82 H170 N4 O36 Ti10P 1 21/n 110.9245; 23.0505; 23.9209
90; 92.241; 90
6019Ding, Qing-Rong; Xu, Gui-Lan; Zhang, Lei; Zhang, Jian
Ligand-directed assembly engineering of trapezoidal {Ti<sub>5</sub>} building blocks stabilized by dimethylglyoxime.
Dalton transactions (Cambridge, England : 2003), 2019, 48, 9916-9919
1551216 CIFC86 H172 N4 O36 Ti10P 1 21/c 119.4857; 26.4883; 22.5872
90; 94.059; 90
11629Ding, Qing-Rong; Xu, Gui-Lan; Zhang, Lei; Zhang, Jian
Ligand-directed assembly engineering of trapezoidal {Ti<sub>5</sub>} building blocks stabilized by dimethylglyoxime.
Dalton transactions (Cambridge, England : 2003), 2019, 48, 9916-9919
1551217 CIFC82 H169 N5 O36 Ti10P -111.8011; 13.8482; 18.9934
82.343; 85.367; 70.16
2891.6Ding, Qing-Rong; Xu, Gui-Lan; Zhang, Lei; Zhang, Jian
Ligand-directed assembly engineering of trapezoidal {Ti<sub>5</sub>} building blocks stabilized by dimethylglyoxime.
Dalton transactions (Cambridge, England : 2003), 2019, 48, 9916-9919
1551218 CIFC82 H171 N5 O36 Ti10P -112.2992; 14.3904; 19.0996
85.923; 85.061; 66.484
3085.7Ding, Qing-Rong; Xu, Gui-Lan; Zhang, Lei; Zhang, Jian
Ligand-directed assembly engineering of trapezoidal {Ti<sub>5</sub>} building blocks stabilized by dimethylglyoxime.
Dalton transactions (Cambridge, England : 2003), 2019, 48, 9916-9919
1551219 CIFC111 H220 N4 O57 Ti16P -115.4097; 15.8879; 17.9294
109.617; 96.107; 95.889
4066.3Ding, Qing-Rong; Xu, Gui-Lan; Zhang, Lei; Zhang, Jian
Ligand-directed assembly engineering of trapezoidal {Ti<sub>5</sub>} building blocks stabilized by dimethylglyoxime.
Dalton transactions (Cambridge, England : 2003), 2019, 48, 9916-9919
1551220 CIFC196 H358 N12 O72 Ti20P 1 21/c 122.1405; 26.715; 25.288
90; 120.487; 90
12889.5Ding, Qing-Rong; Xu, Gui-Lan; Zhang, Lei; Zhang, Jian
Ligand-directed assembly engineering of trapezoidal {Ti<sub>5</sub>} building blocks stabilized by dimethylglyoxime.
Dalton transactions (Cambridge, England : 2003), 2019, 48, 9916-9919
1551221 CIFC86 H174 N4 O38 S2 Ti10P -113.1346; 23.0388; 24.02
63.957; 78.283; 82.357
6386.5Ding, Qing-Rong; Xu, Gui-Lan; Zhang, Lei; Zhang, Jian
Ligand-directed assembly engineering of trapezoidal {Ti<sub>5</sub>} building blocks stabilized by dimethylglyoxime.
Dalton transactions (Cambridge, England : 2003), 2019, 48, 9916-9919
1551222 CIFC96 H198 N4 O46 Ti12P -114.7714; 15.112; 16.858
93.516; 111.982; 100.404
3397.7Ding, Qing-Rong; Xu, Gui-Lan; Zhang, Lei; Zhang, Jian
Ligand-directed assembly engineering of trapezoidal {Ti<sub>5</sub>} building blocks stabilized by dimethylglyoxime.
Dalton transactions (Cambridge, England : 2003), 2019, 48, 9916-9919

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