Crystallography Open Database

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Searching year of publication is 2024

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3000496 CIFCo O2C 1 m 14.83; 2.82; 4.5
90; 98; 90
60.696Hettler, Simon; Singha-Roy, Kankona; Arenal, Raul; Panchakarla, Leela
Stable CoO~2 Nanoscrolls With Outstanding Electrical Properties
Advanced Materials Interfaces, 2024
1571502 CIFBa O3 TiP m -3 m4.00944; 4.00944; 4.00944
90; 90; 90
64.454Namade, Lahu D.; Patil, Amitkumar R.; Jadhav, Sonali R.; Dongale, Tukaram D.; Rajpure, Keshav Y.
Exploring bipolar resistive switching behavior of sprayed BaTiO3 thin films for nonvolatile memory application
Colloids and Surfaces A: Physicochemical and Engineering Aspects, 2024, 692, 133902
7063465 CIFIn Ni2P 63/m m c4.1889; 4.1889; 5.123
90; 90; 120
77.849Liu, Kang; Chi, Xiaowang; Guo, Yan; Hu, Kongqiu; Mei, Lei; Yu, Jipan; Shi, Weiqun
Advancing the understanding of M–O covalency in isostructural M–OSiMe3 (M = Ce, Th, U) complexes
New Journal of Chemistry, 2024, 48, 18241-18248
1571907 CIFCu OC 1 2/c 14.6313; 3.395; 5.0794
90; 99.3885; 90
78.79Pawar, Shweta M.; Patil, Satyajeet S.; Sonawane, Kailas D.; More, Vikramsinh B.; Patil, Pramod S.
Hydrothermally synthesized copper oxide nanoparticles: Rietveld analysis and antimicrobial studies
Surfaces and Interfaces, 2024, 51, 104598
1572227 CIF
Paper
H2 OP 63/m m c4.3815; 4.3815; 7.183
90; 90; 120
119.42Chodkiewicz, Michał Leszek; Olech, Barbara; Jha, Kunal Kumar; Dominiak, Paulina Maria; Woźniak, Krzysztof
Hirshfeld atom refinement and dynamical refinement of hexagonal ice structure from electron diffraction data.
IUCrJ, 2024, 11
1572228 CIF
Paper
H2 OP 63/m m c4.3815; 4.3815; 7.183
90; 90; 120
119.42Chodkiewicz, Michał Leszek; Olech, Barbara; Jha, Kunal Kumar; Dominiak, Paulina Maria; Woźniak, Krzysztof
Hirshfeld atom refinement and dynamical refinement of hexagonal ice structure from electron diffraction data.
IUCrJ, 2024, 11
1572229 CIF
Paper
H1.999998 O1.000002P 63/m m c4.3815; 4.3815; 7.183
90; 90; 120
119.42Chodkiewicz, Michał Leszek; Olech, Barbara; Jha, Kunal Kumar; Dominiak, Paulina Maria; Woźniak, Krzysztof
Hirshfeld atom refinement and dynamical refinement of hexagonal ice structure from electron diffraction data.
IUCrJ, 2024, 11
1572230 CIFH2 OP 63/m m c4.3815; 4.3815; 7.183
90; 90; 120
119.42Chodkiewicz, Michał Leszek; Olech, Barbara; Jha, Kunal Kumar; Dominiak, Paulina Maria; Woźniak, Krzysztof
Hirshfeld atom refinement and dynamical refinement of hexagonal ice structure from electron diffraction data.
IUCrJ, 2024, 11
1572231 CIFH2 OP 63/m m c4.3815; 4.3815; 7.183
90; 90; 120
119.42Chodkiewicz, Michał Leszek; Olech, Barbara; Jha, Kunal Kumar; Dominiak, Paulina Maria; Woźniak, Krzysztof
Hirshfeld atom refinement and dynamical refinement of hexagonal ice structure from electron diffraction data.
IUCrJ, 2024, 11
1572232 CIFH2 OP 63/m m c4.3815; 4.3815; 7.183
90; 90; 120
119.42Chodkiewicz, Michał Leszek; Olech, Barbara; Jha, Kunal Kumar; Dominiak, Paulina Maria; Woźniak, Krzysztof
Hirshfeld atom refinement and dynamical refinement of hexagonal ice structure from electron diffraction data.
IUCrJ, 2024, 11
1572233 CIFH2 OP 63/m m c4.3815; 4.3815; 7.183
90; 90; 120
119.42Chodkiewicz, Michał Leszek; Olech, Barbara; Jha, Kunal Kumar; Dominiak, Paulina Maria; Woźniak, Krzysztof
Hirshfeld atom refinement and dynamical refinement of hexagonal ice structure from electron diffraction data.
IUCrJ, 2024, 11
1572234 CIFH2 OP 63/m m c4.3815; 4.3815; 7.183
90; 90; 120
119.42Chodkiewicz, Michał Leszek; Olech, Barbara; Jha, Kunal Kumar; Dominiak, Paulina Maria; Woźniak, Krzysztof
Hirshfeld atom refinement and dynamical refinement of hexagonal ice structure from electron diffraction data.
IUCrJ, 2024, 11
1572235 CIFH2 OP 63/m m c4.3815; 4.3815; 7.183
90; 90; 120
119.42Chodkiewicz, Michał Leszek; Olech, Barbara; Jha, Kunal Kumar; Dominiak, Paulina Maria; Woźniak, Krzysztof
Hirshfeld atom refinement and dynamical refinement of hexagonal ice structure from electron diffraction data.
IUCrJ, 2024, 11
2300734 CIFGa H O2P n m a9.78216; 2.97127; 4.51938
90; 90; 90
131.358Ding, Ning; Shi, Honglong; Zhang, Zeqian; Luo, Minting; Hu, Zhenfei
Dehydroxylation and structural transition in α-GaOOH investigated by in situ X-ray diffraction
Journal of Applied Crystallography, 2024, 57
1571591 CIFFe O4 WP 1 2/c 14.7537; 5.7244; 4.9738
90; 90.0801; 90
135.347Patil, Amitkumar R.; Dongale, Tukaram D.; Pedanekar, Rupesh S.; Sutar,Santosh S.; Kamat, Rajanish K.; Rajpure, Keshav Y.
Multilevel resistive switching in hydrothermally synthesized FeWO4 thin film-based memristive device for non-volatile memory application
Journal of Colloid and Interface Science, 2024, 669, 444
7715583 CIFNb O3 RbA m m 23.99374; 5.8217; 5.8647
90; 90; 90
136.356Yamamoto, Ayako; Murase, Kimitoshi; Sato, Takeru; Sugiyama, Kazumasa; Kawamata, Toru; Inaguma, Yoshiyuki; Yamaura, Jun-Ichi; Shitara, Kazuki; Yokoi, Rie; Moriwake, Hiroki
Crystal structure and properties of perovskite-type rubidium niobate, a high-pressure phase of RbNbO<sub>3</sub>.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 7044-7052
2312561 CIF
Paper
C H4 N2 OP -4 21 m5.596; 5.596; 4.7164
90; 90; 90
147.7Kumar, Anil; Jha, Kunal Kumar; Olech, Barbara; Goral, Tomasz; Malinska, Maura; Woźniak, Krzysztof; Dominiak, Paulina Maria
TAAM refinement on high-resolution experimental and simulated 3D ED/MicroED data for organic molecules.
Acta crystallographica. Section C, Structural chemistry, 2024, 80, 264-277
2312562 CIF
Paper
C H4 N2 OP -4 21 m5.596; 5.596; 4.7164
90; 90; 90
147.7Kumar, Anil; Jha, Kunal Kumar; Olech, Barbara; Goral, Tomasz; Malinska, Maura; Woźniak, Krzysztof; Dominiak, Paulina Maria
TAAM refinement on high-resolution experimental and simulated 3D ED/MicroED data for organic molecules.
Acta crystallographica. Section C, Structural chemistry, 2024, 80, 264-277
7134008 CIFS2.67 WP 1 21/m 15.679; 3.24; 9.624
90; 99.25; 90
174.8Sun, Ruijin; Li, Haodong; Zhang, Duo; Liu, Zhaolong; Ma, Yuxin; Meng, Dezhong; Zhao, Changchun
Topochemical synthesis of anion-intercalated transition metal dichalcogenide superconductor S<sub>0.66(2)</sub>WS<sub>2</sub>.
Chemical communications (Cambridge, England), 2024, 60, 15043-15046
2023189 CIF
Paper
Bi F5I 4/m6.4439; 6.4439; 4.226
90; 90; 90
175.48Wassermann, Tobias Burghardt; Kraus, Florian
Rerefinement of the crystal structure of BiF5
Acta Crystallographica Section E Crystallographic Communications, 2024, 80
7132674 CIFB2 F O4 SbP -14.3436; 6.3169; 7.0009
92.888; 95.126; 104.803
184.44Hu, Chenhui; Wu, Mengfan; Han, Jian; Yang, Zhihua; Han, Shujuan; Pan, Shilie
New antimony fluorooxoborates with strong birefringence and unprecedented structural characterisation.
Chemical communications (Cambridge, England), 2024, 60, 2653-2656
7716890 CIFB2.46 Ir2C 1 2/m 110.5515; 2.8842; 6.0965
90; 91.121; 90
185.5Sologub, Oksana; Salamakha, Leonid P.; Stöger, Berthold; Mori, Takao; Barisic, Neven; Rogl, Peter F.; Michor, Herwig; Bauer, Ernst
Crystal structures, bonding and electronic structures of α- and β-Ir<sub>2</sub>B<sub>3-<i>x</i></sub> compounds.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 15859-15871
2312381 CIF
HKL
Al F H2 O2P 1 21/c 15.1788; 7.8386; 5.1624
90; 116.276; 90
187.91Zubkova, Natalia V.; Pekov, Igor V.; Ksenofontov, Dmitry A.; Pushcharovsky, Dmitry Yu
Zharchikhite, AlF(OH)<sub>2</sub>: a novel structure type related to α-PbO<sub>2</sub>.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80
1570447 CIFC4 H10 OP -15.0182; 5.575; 7.136
97.36; 102.81; 97.72
190.31Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin
Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure.
IUCrJ, 2024, 11, 57-61
2312627 CIF
Paper
C Cl2 SP 63/m5.947142; 5.947142; 6.236672
90; 90; 120
191.029Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic
A comprehensive characterization of thiophosgene in the solid state
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2024, 80, 495-503
2312628 CIF
Paper
C Cl2 SP 63/m5.948306; 5.948306; 6.241408
90; 90; 120
191.249Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic
A comprehensive characterization of thiophosgene in the solid state
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2024, 80, 495-503
2312629 CIF
Paper
C Cl2 SP 63/m5.94993; 5.94993; 6.248669
90; 90; 120
191.576Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic
A comprehensive characterization of thiophosgene in the solid state
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2024, 80, 495-503
2312630 CIF
Paper
C Cl2 SP 63/m5.951973; 5.951973; 6.257723
90; 90; 120
191.986Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic
A comprehensive characterization of thiophosgene in the solid state
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2024, 80, 495-503
2312631 CIF
Paper
C Cl2 SP 63/m5.954232; 5.954232; 6.268135
90; 90; 120
192.451Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic
A comprehensive characterization of thiophosgene in the solid state
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2024, 80, 495-503
2312632 CIF
Paper
C Cl2 SP 63/m5.956673; 5.956673; 6.279521
90; 90; 120
192.959Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic
A comprehensive characterization of thiophosgene in the solid state
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2024, 80, 495-503
2312633 CIF
Paper
C Cl2 SP 63/m5.959287; 5.959287; 6.291645
90; 90; 120
193.501Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic
A comprehensive characterization of thiophosgene in the solid state
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2024, 80, 495-503
2312634 CIF
Paper
C Cl2 SP 63/m5.961975; 5.961975; 6.304428
90; 90; 120
194.069Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic
A comprehensive characterization of thiophosgene in the solid state
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2024, 80, 495-503
2312635 CIF
Paper
C Cl2 SP 63/m5.964911; 5.964911; 6.317775
90; 90; 120
194.672Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic
A comprehensive characterization of thiophosgene in the solid state
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2024, 80, 495-503
2312636 CIF
Paper
C Cl2 SP 63/m5.967823; 5.967823; 6.331802
90; 90; 120
195.294Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic
A comprehensive characterization of thiophosgene in the solid state
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2024, 80, 495-503
2312637 CIF
Paper
C Cl2 SP 63/m5.970876; 5.970876; 6.346393
90; 90; 120
195.945Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic
A comprehensive characterization of thiophosgene in the solid state
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2024, 80, 495-503
1570446 CIFC4 H10 OP -15.072; 5.629; 7.215
97.43; 102.91; 97.15
196.6Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin
Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure.
IUCrJ, 2024, 11, 57-61
2312638 CIF
Paper
C Cl2 SP 63/m5.973921; 5.973921; 6.361643
90; 90; 120
196.616Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic
A comprehensive characterization of thiophosgene in the solid state
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2024, 80, 495-503
2312639 CIF
Paper
C Cl2 SP 63/m5.977085; 5.977085; 6.377402
90; 90; 120
197.312Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic
A comprehensive characterization of thiophosgene in the solid state
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2024, 80, 495-503
1571667 CIFMo N4 Zn3P m n 216.549; 5.673; 5.3115
90; 90; 90
197.34Rom, Christopher L.; O'Donnell, Shaun; Huang, Kayla; Klein, Ryan A.; Kramer, Morgan J.; Smaha, Rebecca W.; Zakutayev, Andriy
Low-temperature synthesis of cation-ordered bulk Zn<sub>3</sub>WN<sub>4</sub> semiconductor <i>via</i> heterovalent solid-state metathesis.
Chemical science, 2024, 15, 9709-9718
2312640 CIF
Paper
C Cl2 SP 63/m5.98029; 5.98029; 6.393824
90; 90; 120
198.032Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic
A comprehensive characterization of thiophosgene in the solid state
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2024, 80, 495-503
1570445 CIFC4 H10 OP -15.0809; 5.6329; 7.2451
97.382; 102.749; 97.002
198.13Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin
Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure.
IUCrJ, 2024, 11, 57-61
1571668 CIFN8 W1.66 Zn6.34P m n 216.5602; 5.6813; 5.3235
90; 90; 90
198.41Rom, Christopher L.; O'Donnell, Shaun; Huang, Kayla; Klein, Ryan A.; Kramer, Morgan J.; Smaha, Rebecca W.; Zakutayev, Andriy
Low-temperature synthesis of cation-ordered bulk Zn<sub>3</sub>WN<sub>4</sub> semiconductor <i>via</i> heterovalent solid-state metathesis.
Chemical science, 2024, 15, 9709-9718
2312641 CIF
Paper
C Cl2 SP 63/m5.983549; 5.983549; 6.410593
90; 90; 120
198.768Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic
A comprehensive characterization of thiophosgene in the solid state
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2024, 80, 495-503
2312642 CIF
Paper
C Cl2 SP 63/m5.986904; 5.986904; 6.42811
90; 90; 120
199.535Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic
A comprehensive characterization of thiophosgene in the solid state
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2024, 80, 495-503
2312643 CIF
Paper
C Cl2 SP 63/m5.990647; 5.990647; 6.446911
90; 90; 120
200.369Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic
A comprehensive characterization of thiophosgene in the solid state
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2024, 80, 495-503
2312644 CIF
Paper
C Cl2 SP 63/m5.994491; 5.994491; 6.46654
90; 90; 120
201.237Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic
A comprehensive characterization of thiophosgene in the solid state
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2024, 80, 495-503
2312645 CIF
Paper
C Cl2 SP 63/m5.998426; 5.998426; 6.487189
90; 90; 120
202.144Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic
A comprehensive characterization of thiophosgene in the solid state
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2024, 80, 495-503
1570444 CIFC4 H10 OP -15.1196; 5.6659; 7.2999
97.275; 102.728; 96.747
202.56Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin
Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure.
IUCrJ, 2024, 11, 57-61
2312624 CIF
HKL
C Mo Si2 Y2P 4/m b m6.9525; 6.9525; 4.1962
90; 90; 90
202.83Vernière, Anne; Diop, Léopold V B; Sarr, Ibrahima; Schweitzer, Thierry; Malaman, Bernard
Crystal structure of new quaternary intermetallic compounds R<sub>2</sub>MoSi<sub>2</sub>C (R = Y, Gd).
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 504-508
2312646 CIF
Paper
C Cl2 SP 63/m6.0025; 6.0025; 6.50883
90; 90; 120
203.094Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic
A comprehensive characterization of thiophosgene in the solid state
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2024, 80, 495-503
2312626 CIFC Cl2 SP 63/m6.0132; 6.0132; 6.513
90; 90; 120
203.95Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic
A comprehensive characterization of thiophosgene in the solid state
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2024, 80, 495-503
2312647 CIF
Paper
C Cl2 SP 63/m6.006775; 6.006775; 6.53172
90; 90; 120
204.099Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic
A comprehensive characterization of thiophosgene in the solid state
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2024, 80, 495-503
7248397 CIFB4 Co1.76 Ni4.24 O12P n n m4.4917; 5.4314; 8.3789
90; 90; 90
204.41Sofronova, Svetlana; Moshkina, Evgeniya; Chernyshev, Artem; Vasiliev, Aleksandr; Maximov, Nikolai G.; Aleksandrovsky, Aleksandr; Andryushchenko, Tatyana; Shabanov, Aleksandr
Crystal growth and cation order of Ni3−xCoxB2O6 oxyborates
CrystEngComm, 2024, 26, 2536-2543
2300744 CIFC Bi2 O5I 4/m m m3.867; 3.867; 13.689
90; 90; 90
204.701Nomine, A. V.; Ghanbaja, J.; Redjaimia, A.; Belmonte, T.
Structural characteristics of Bi2O2CO3 nanosheets synthesized by nano-pulsed discharges in water
Journal of Applied Crystallography, 2024, 57, 1456-1465
7248872 CIFC6 H13 Br0.97 Cl0.03 N2P -6 m 26.6645; 6.6645; 5.3238
90; 90; 120
204.78Ohishi, Yuki; Sambe, Kohei; Dekura, Shun; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo
Effect of halide solid solution on the structure, phase transition behaviour and dielectric properties of dabcoH+ chains
CrystEngComm, 2024, 26, 3468-3474
1571398 CIFAl2.86 FeC m c m7.635; 6.392; 4.2007
90; 90; 90
205.01Liu, Yibo; Fan, Changzeng; Wen, Bin; Xu, Zhefeng; Fu, Ruidong; Zhang, Lifeng
Orientation Relationship of Intergrowth Al2Fe and Al5Fe2 Intermetallics Determined by Single-Crystal X-ray Diffraction
Metals, 2024, 14, 337
2312648 CIF
Paper
C Cl2 SP 63/m6.011293; 6.011293; 6.55562
90; 90; 120
205.154Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic
A comprehensive characterization of thiophosgene in the solid state
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2024, 80, 495-503
7248874 CIFC6 H13 Br0.95 I0.05 N2P -6 m 26.6793; 6.6793; 5.3178
90; 90; 120
205.46Ohishi, Yuki; Sambe, Kohei; Dekura, Shun; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo
Effect of halide solid solution on the structure, phase transition behaviour and dielectric properties of dabcoH+ chains
CrystEngComm, 2024, 26, 3468-3474
2312625 CIF
HKL
C Gd2 Mo Si2P 4/m b m6.9945; 6.9945; 4.202
90; 90; 90
205.57Vernière, Anne; Diop, Léopold V B; Sarr, Ibrahima; Schweitzer, Thierry; Malaman, Bernard
Crystal structure of new quaternary intermetallic compounds R<sub>2</sub>MoSi<sub>2</sub>C (R = Y, Gd).
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 504-508
7248875 CIFC6 H13 Br0.9 I0.1 N2P -6 m 26.6949; 6.6949; 5.3265
90; 90; 120
206.76Ohishi, Yuki; Sambe, Kohei; Dekura, Shun; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo
Effect of halide solid solution on the structure, phase transition behaviour and dielectric properties of dabcoH+ chains
CrystEngComm, 2024, 26, 3468-3474
7248871 CIFC6 H13 Br0.8 I0.2 N2P -6 m 26.7014; 6.7014; 5.3164
90; 90; 120
206.77Ohishi, Yuki; Sambe, Kohei; Dekura, Shun; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo
Effect of halide solid solution on the structure, phase transition behaviour and dielectric properties of dabcoH+ chains
CrystEngComm, 2024, 26, 3468-3474
1571954 CIFC H6 Br3 N PbP m -3 m5.9175; 5.9175; 5.9175
90; 90; 90
207.212Testa, Marianna; De Santis, Antonio; Tinti, Gemma; Paoloni, Alessandro; Papalino, Giuseppe; Felici, Giulietto; Chubinidze, Zaza; Matteocci, Fabio; Auf der Maur, Matthias; Rizzato, Silvia; Lo Presti, Leonardo; Viola, Ilenia; Morganti, Silvio; Rovelli, Chiara
Direct detection of minimum ionizing charged particles in a perovskite single crystal detector with single particle sensitivity.
Nanoscale, 2024, 16, 12918-12922
2300736 CIF
HKL
Paper
Ga NdC m c m4.4329; 11.246; 4.1735
90; 90; 90
208.06Shtender, Vitalii; Cedervall, Johan; Ek, Gustav; Zlotea, Claudia; Andersson, Mikael S.; Manuel, Pascal; Sahlberg, Martin; Häussermann, Ulrich
Revisiting the hydrogenation behavior of NdGa and its hydride phases.
Journal of applied crystallography, 2024, 57, 248-257
1572810 CIFAg0.33 Pb0.33 Sb0.33 SeF m -3 m5.9268; 5.9268; 5.9268
90; 90; 90
208.19Grauer, Maxim; Benndorf, Christopher; Rohr, Valentin; Paulmann, Carsten; Oeckler, Oliver
Investigations of Some Disordered Quaternary Compounds in the Systems Ag/Pb/Sb/Se and Ag/Pb/Sb/Te
Crystals, 2024, 14, 789
2300737 CIF
HKL
Paper
Ga NdC m c m4.1855; 11.9137; 4.1857
90; 90; 90
208.72Shtender, Vitalii; Cedervall, Johan; Ek, Gustav; Zlotea, Claudia; Andersson, Mikael S.; Manuel, Pascal; Sahlberg, Martin; Häussermann, Ulrich
Revisiting the hydrogenation behavior of NdGa and its hydride phases.
Journal of applied crystallography, 2024, 57, 248-257
2300738 CIF
HKL
Paper
Ga NdC m c m4.16; 12.0374; 4.1825
90; 90; 90
209.44Shtender, Vitalii; Cedervall, Johan; Ek, Gustav; Zlotea, Claudia; Andersson, Mikael S.; Manuel, Pascal; Sahlberg, Martin; Häussermann, Ulrich
Revisiting the hydrogenation behavior of NdGa and its hydride phases.
Journal of applied crystallography, 2024, 57, 248-257
7062967 CIFB4 H16 HfP -4 3 m5.946; 5.946; 5.946
90; 90; 90
210.2Burkmann, Konrad; Habermann, Franziska; Schumann, Erik; Kraus, Jakob; Störr, Bianca; Schmidt, Horst; Brendler, Erica; Seidel, Jürgen; Bohmhammel, Klaus; Kortus, Jens; Mertens, Florian
Structural and thermodynamic investigations of Zr(BH4)4 and Hf(BH4)4 between 280 K and their decomposition temperatures
New Journal of Chemistry, 2024, 48, 2743-2754
7248873 CIFC6 H13 Br0.8 I0.2 N2P -6 m 26.7541; 6.7541; 5.3383
90; 90; 120
210.9Ohishi, Yuki; Sambe, Kohei; Dekura, Shun; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo
Effect of halide solid solution on the structure, phase transition behaviour and dielectric properties of dabcoH+ chains
CrystEngComm, 2024, 26, 3468-3474
7062966 CIFB4 H16 ZrP -4 3 m5.955; 5.955; 5.955
90; 90; 90
211.2Burkmann, Konrad; Habermann, Franziska; Schumann, Erik; Kraus, Jakob; Störr, Bianca; Schmidt, Horst; Brendler, Erica; Seidel, Jürgen; Bohmhammel, Klaus; Kortus, Jens; Mertens, Florian
Structural and thermodynamic investigations of Zr(BH4)4 and Hf(BH4)4 between 280 K and their decomposition temperatures
New Journal of Chemistry, 2024, 48, 2743-2754
7249581 CIFC5 H12 N O4 ReP 15.807; 6.087; 6.157
95.814; 94.57; 100.825
211.57Novikov, Anton P.; Sitanskaia, Anastasiia V.; Volkov, Mikhail A.; Nevolin, Iurii M.; Grigoriev, Mikhail S.
Intermolecular non-covalent interactions in the organic perrhenates crystal structures: from theory to practice
CrystEngComm, 2024, 26, 6640-6649
7248870 CIFC6 H13 Br0.74 I0.26 N2P -6 m 26.8015; 6.8015; 5.3298
90; 90; 120
213.53Ohishi, Yuki; Sambe, Kohei; Dekura, Shun; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo
Effect of halide solid solution on the structure, phase transition behaviour and dielectric properties of dabcoH+ chains
CrystEngComm, 2024, 26, 3468-3474
7248869 CIFC6 H13 Br0.64 I0.36 N2P -6 m 26.8337; 6.8337; 5.3349
90; 90; 120
215.76Ohishi, Yuki; Sambe, Kohei; Dekura, Shun; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo
Effect of halide solid solution on the structure, phase transition behaviour and dielectric properties of dabcoH+ chains
CrystEngComm, 2024, 26, 3468-3474
1573720 CIFBa2 Cl6 Fe2P 16.81558; 6.81558; 5.365548
90; 90; 120
215.849Farhan Noor
A first-principles investigation of the structural, optoelectronic, elastic and thermal properties of the p-type half-metallic ferromagnetic perovskites BaFeX3 (X = Cl, Br, I)
Physica Scripta, 2024, 99, 125962
7248868 CIFC6 H13 Br0.27 I0.73 N2P -6 m 26.9445; 6.9445; 5.3334
90; 90; 120
222.75Ohishi, Yuki; Sambe, Kohei; Dekura, Shun; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo
Effect of halide solid solution on the structure, phase transition behaviour and dielectric properties of dabcoH+ chains
CrystEngComm, 2024, 26, 3468-3474
7063440 CIFBa Se3P -4 21 m7.2871; 7.2871; 4.2516
90; 90; 90
225.77Srivastava, Komal; Ray, Akshay K.; Yadav, Sweta; Deepa, Melepurath; Prakash, Jai
A low-temperature solution route for the synthesis of single crystals of BaSe3 and its photovoltaic study
New Journal of Chemistry, 2024, 48, 16869-16876
7715808 CIFAs4 Li9.33 Si0.67F m -3 m6.131; 6.131; 6.131
90; 90; 90
230.46Schmid, Martin; Wegner, Florian; De Giorgi, Claudia; Pielnhofer, Florian; Pfitzner, Arno
The cubic structure of Li<sub>3</sub>As stabilized by substitution - Li<sub>8</sub>TtAs<sub>4</sub> (Tt = Si, Ge) and Li<sub>14</sub>TtAs<sub>6</sub> (Tt = Si, Ge, Sn) and their lithium ion conductivity.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 11257-11263
7248867 CIFC6 H13 Br0.19 I0.81 N2P -6 m 27.0554; 7.0554; 5.3478
90; 90; 120
230.54Ohishi, Yuki; Sambe, Kohei; Dekura, Shun; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo
Effect of halide solid solution on the structure, phase transition behaviour and dielectric properties of dabcoH+ chains
CrystEngComm, 2024, 26, 3468-3474
2300743 CIFCa0.45 O3 Pb0.55 TiP n a 217.777666; 5.518537; 5.527827
90; 90; 90
237.262Estrada, Flávia Regina; Moreno-Gobbi, Ariel; Damjanovic, Dragan; Garcia, Ducinei
Polar orientation and extension in a novel crystallographic model for PbTiO3-based perovskites explaining the experimental ferroelectric thermal anomalies
Journal of Applied Crystallography, 2024, 57, 808-817
7715809 CIFAs4 Li9.33 Sn0.67F m -3 m6.193; 6.193; 6.193
90; 90; 90
237.52Schmid, Martin; Wegner, Florian; De Giorgi, Claudia; Pielnhofer, Florian; Pfitzner, Arno
The cubic structure of Li<sub>3</sub>As stabilized by substitution - Li<sub>8</sub>TtAs<sub>4</sub> (Tt = Si, Ge) and Li<sub>14</sub>TtAs<sub>6</sub> (Tt = Si, Ge, Sn) and their lithium ion conductivity.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 11257-11263
1570435 CIFC2 H6 OP 1 21/c 15.5073; 6.493; 6.8431
90; 103.848; 90
237.59Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin
Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure.
IUCrJ, 2024, 11, 57-61
1570434 CIFC2 H6 OP 1 21/c 15.5277; 6.527; 6.8941
90; 103.869; 90
241.5Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin
Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure.
IUCrJ, 2024, 11, 57-61
1570433 CIFC2 H6 OP 1 21/c 15.5541; 6.6179; 6.964
90; 103.835; 90
248.55Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin
Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure.
IUCrJ, 2024, 11, 57-61
7716393 CIFC5 H3 Co O5P -13.3576; 9.0091; 9.5434
113.881; 99.313; 93.915
257.61Hulushe, Siya T.; Watkins, Gareth M.; Khanye, Setshaba D.
A cobalt(II) coordination polymer-derived catalyst engineered <i>via</i> temperature-induced semi-reversible single-crystal-to-single-crystal (SCSC) dehydration for efficient liquid-phase epoxidation of olefins.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 11326-11343
1571397 CIFAl3.12 Fe1.63P -14.8569; 6.4389; 8.7323
87.837; 74.463; 83.06
261.17Liu, Yibo; Fan, Changzeng; Wen, Bin; Xu, Zhefeng; Fu, Ruidong; Zhang, Lifeng
Orientation Relationship of Intergrowth Al2Fe and Al5Fe2 Intermetallics Determined by Single-Crystal X-ray Diffraction
Metals, 2024, 14, 337
7714835 CIFC2 H2 K N5 O2P 1 21 14.07223; 10.00743; 6.99455
90; 104.204; 90
276.331Lal, Sohan; Staples, Richard J.; Shreeve, Jean'ne M.
Nitroiminotriazole (NIT) based potential solid propellants: synthesis, characterization, and applications.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 903-907
2312499 CIFGe4.158 N4 O4 Sn0.842P 63 m c5.839; 5.839; 9.365
90; 90; 120
276.51Gollé-Leidreiter, Philipp; Bhat, Shrikant; Wiehl, Leonore; Wen, Qingbo; Kroll, Peter; Ishikawa, Ryo; Etter, Martin; Farla, Robert; Ikuhara, Yuichi; Riedel, Ralf; Kolb, Ute
Crystal structures of two new high-pressure oxynitrides with composition SnGe<sub>4</sub>N<sub>4</sub>O<sub>4</sub>, from single-crystal electron diffraction.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80
7248574 CIFF3 H Mn Na2 O4 PP 1 21/m 15.6785; 7.7011; 6.8171
90; 109.673; 90
280.72Luo, Qi; Li, Ningxia; Zhao, Zhiying; Cui, Meiyan; He, Zhangzhen
Synthesis and magnetic properties of two fluorophosphates K2Mn(PO3F)F3 and Na2Mn(HPO4)F3 with a S = 2 uniform spin chain structure
CrystEngComm, 2024, 26, 2796-2802
7714834 CIFC2 H5 N5 O3P 1 21 15.16088; 8.67413; 6.54739
90; 106.652; 90
280.81Lal, Sohan; Staples, Richard J.; Shreeve, Jean'ne M.
Nitroiminotriazole (NIT) based potential solid propellants: synthesis, characterization, and applications.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 903-907
2312498 CIFGe4 N4 O4 SnP 63 m c5.876; 5.876; 9.418
90; 90; 120
281.6Gollé-Leidreiter, Philipp; Bhat, Shrikant; Wiehl, Leonore; Wen, Qingbo; Kroll, Peter; Ishikawa, Ryo; Etter, Martin; Farla, Robert; Ikuhara, Yuichi; Riedel, Ralf; Kolb, Ute
Crystal structures of two new high-pressure oxynitrides with composition SnGe<sub>4</sub>N<sub>4</sub>O<sub>4</sub>, from single-crystal electron diffraction.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80
7248175 CIFCa3 Ga3 O14 Si2 TaP 3 2 18.112; 8.112; 4.9862
90; 90; 120
284.16Ai, Lei; Sun, Zhigang; Jiang, Linwen; Pan, Jianguo; Zheng, Yanqing; Pan, Shangke
Piezoelectric properties of (Sr0.2Ca0.8)3TaGa3Si2O14 and Ca3TaGa3Si2O14 single crystals grown via vertical Bridgman method
CrystEngComm, 2024, 26, 1550-1555
1572959 CIFMg8 O16 Si4P 14.72942; 10.1528; 5.94525
90; 90; 90
285.472Jundullah Hanafi, Muchammad Izzuddin; Bastonero, Lorenzo; Murshed, Mohammad Mangir; Robben, Lars; Dononelli, Wilke; Kirsch, Andrea; Marzari, Nicola; Gesing, Thorsten M.
Synthesis, structural and spectroscopic characterization of defect-rich forsterite as a representative phase of Martian regolith.
IUCrJ, 2024, 11
7249583 CIFC4 H12 N2 O8 Re2P -16.2945; 7.3292; 7.3349
115.398; 107.627; 90.178
287.83Novikov, Anton P.; Sitanskaia, Anastasiia V.; Volkov, Mikhail A.; Nevolin, Iurii M.; Grigoriev, Mikhail S.
Intermolecular non-covalent interactions in the organic perrhenates crystal structures: from theory to practice
CrystEngComm, 2024, 26, 6640-6649
2023129 CIF
Paper
Li Lu Mo2 O8I 41/a :25.1052; 5.1052; 11.08
90; 90; 90
288.78Hartenbach, Ingo; Hertweck, Robin F.
Mixed occupancy: the crystal structure of scheelite-type LiLu[MoO4]2
Acta Crystallographica Section E Crystallographic Communications, 2024, 80
1572967 CIFMg2 O4 SiP b n m4.7523; 10.2027; 5.9821
90; 90; 90
290.05Jundullah Hanafi, Muchammad Izzuddin; Bastonero, Lorenzo; Murshed, Mohammad Mangir; Robben, Lars; Dononelli, Wilke; Kirsch, Andrea; Marzari, Nicola; Gesing, Thorsten M.
Synthesis, structural and spectroscopic characterization of defect-rich forsterite as a representative phase of Martian regolith.
IUCrJ, 2024, 11
1572966 CIFMg2 O4 SiP b n m4.7542; 10.2048; 5.9839
90; 90; 90
290.31Jundullah Hanafi, Muchammad Izzuddin; Bastonero, Lorenzo; Murshed, Mohammad Mangir; Robben, Lars; Dononelli, Wilke; Kirsch, Andrea; Marzari, Nicola; Gesing, Thorsten M.
Synthesis, structural and spectroscopic characterization of defect-rich forsterite as a representative phase of Martian regolith.
IUCrJ, 2024, 11
1572960 CIFMg8 O16 Si4P 14.756; 10.2035; 5.983
90; 90; 90
290.342Jundullah Hanafi, Muchammad Izzuddin; Bastonero, Lorenzo; Murshed, Mohammad Mangir; Robben, Lars; Dononelli, Wilke; Kirsch, Andrea; Marzari, Nicola; Gesing, Thorsten M.
Synthesis, structural and spectroscopic characterization of defect-rich forsterite as a representative phase of Martian regolith.
IUCrJ, 2024, 11
1572968 CIFMg2 O4 SiP b n m4.753; 10.2084; 5.9848
90; 90; 90
290.386Jundullah Hanafi, Muchammad Izzuddin; Bastonero, Lorenzo; Murshed, Mohammad Mangir; Robben, Lars; Dononelli, Wilke; Kirsch, Andrea; Marzari, Nicola; Gesing, Thorsten M.
Synthesis, structural and spectroscopic characterization of defect-rich forsterite as a representative phase of Martian regolith.
IUCrJ, 2024, 11
1572969 CIFMg2 O4 SiP b n m4.7515; 10.2127; 5.9854
90; 90; 90
290.445Jundullah Hanafi, Muchammad Izzuddin; Bastonero, Lorenzo; Murshed, Mohammad Mangir; Robben, Lars; Dononelli, Wilke; Kirsch, Andrea; Marzari, Nicola; Gesing, Thorsten M.
Synthesis, structural and spectroscopic characterization of defect-rich forsterite as a representative phase of Martian regolith.
IUCrJ, 2024, 11
2312435 CIF
HKL
B2 K O6 Sr YP 1 21/m 16.5888; 5.3664; 8.5293
90; 105.389; 90
290.77Kuznetsov, Artem B.; Kokh, Konstantin A.; Gorelova, Liudmila A.; Sofich, Dmitry O.; Sagatov, Nursultan; Gavryushkin, Pavel N.; Vereshchagin, Oleg S.; Bocharov, Vladimir N.; Shevchenko, Vyacheslav S.; Kokh, Alexander E.
Growth, crystal structure and IR luminescence of KSrY<sub>1-x</sub>Er<sub>x</sub>(BO<sub>3</sub>)<sub>2</sub>.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80
2312437 CIF
HKL
B2 K O6 Sr YP 1 21/m 16.594; 5.3718; 8.5241
90; 105.39; 90
291.11Kuznetsov, Artem B.; Kokh, Konstantin A.; Gorelova, Liudmila A.; Sofich, Dmitry O.; Sagatov, Nursultan; Gavryushkin, Pavel N.; Vereshchagin, Oleg S.; Bocharov, Vladimir N.; Shevchenko, Vyacheslav S.; Kokh, Alexander E.
Growth, crystal structure and IR luminescence of KSrY<sub>1-x</sub>Er<sub>x</sub>(BO<sub>3</sub>)<sub>2</sub>.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80
2300735 CIFGa2 O3R -3 c :H4.99945; 4.99945; 13.50095
90; 90; 120
292.24Ding, Ning; Shi, Honglong; Zhang, Zeqian; Luo, Minting; Hu, Zhenfei
Dehydroxylation and structural transition in α-GaOOH investigated by in situ X-ray diffraction
Journal of Applied Crystallography, 2024, 57
7133192 CIFC5 H6 O4P -15.006; 7.2628; 8.6451
106.71; 102.405; 92.116
292.37Kulathungage, Lakshani W.; Kurup, Sudheer S.; Browne, Edison A.; Spalink, Gabriel H.; Ward, Cassandra L.; Lord, Richard L.; Groysman, Stanislav
Efficient carbene transfer reactivity mediated by Fe(II) complexes supported by bulky alkoxides.
Chemical communications (Cambridge, England), 2024, 60, 7033-7036
7248935 CIFC2 H6 N6 O2P -15.2112; 7.849; 7.88
78.116; 76.103; 73.73
297.01Wang, Pengfei; Liu, Lile; Sun, Zebang; Qin, Feng; Shi, Lei; Gao, Chao; Du, Yang; Zhang, Chong; Hu, Bingcheng; Sun, Chengguo
Constructing layered structure amidine-based pentazolate salts with low sensitivity
CrystEngComm, 2024, 26, 4114-4120
2312559 CIF
Paper
C2 H5 N O2P 1 21/n 15.11; 11.81; 5.44
90; 113.1; 90
302Kumar, Anil; Jha, Kunal Kumar; Olech, Barbara; Goral, Tomasz; Malinska, Maura; Woźniak, Krzysztof; Dominiak, Paulina Maria
TAAM refinement on high-resolution experimental and simulated 3D ED/MicroED data for organic molecules.
Acta crystallographica. Section C, Structural chemistry, 2024, 80, 264-277
2312560 CIF
Paper
C2 H5 N O2P 1 21/n 15.11; 11.81; 5.44
90; 113.1; 90
302Kumar, Anil; Jha, Kunal Kumar; Olech, Barbara; Goral, Tomasz; Malinska, Maura; Woźniak, Krzysztof; Dominiak, Paulina Maria
TAAM refinement on high-resolution experimental and simulated 3D ED/MicroED data for organic molecules.
Acta crystallographica. Section C, Structural chemistry, 2024, 80, 264-277
7715457 CIFIn0.8 Mn1.76 Si2 Te6P -3 1 m7.0483; 7.0483; 7.1277
90; 90; 120
306.65Shahid, Omair; Yadav, Sweta; Manna, Kaustuv; Thakur, Gohil S.; Prakash, Jai
Low thermal conductivity in a new mixed metal telluride Mn<sub>1.8(1)</sub>In<sub>0.8(1)</sub>Si<sub>2</sub>Te<sub>6</sub>.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 6245-6255
1572479 CIFC12 H20 P2P -15.1758; 5.3182; 11.4365
88.01; 83.733; 80.367
308.46Yoon, Joseph S.; Abdellaoui, Mehdi; Gembicky, Milan; Bertrand, Guy
A carbene-stabilized diphosphorus: a triple-bonded diphosphorus (P[triple bond, length as m-dash]P) and a bis(phosphinidene) (P-P) transfer agent.
Chemical science, 2024, 15, 15713-15716
7714975 CIFC2 H2 F Na O5 SnP -15.988; 7.2468; 8.2925
111.02; 107.986; 96.873
308.54Ren, Liying; Yin, Zeqiao; Wang, Shiyi; Lin, Zhengyan; Cao, Liling; Dong, Xuehua; Huang, Ling; Zhou, Yuqiao; Gao, Daojiang; Zou, Guohong
Na<sub>4</sub>Sn<sub>4</sub>(C<sub>2</sub>O<sub>4</sub>)<sub>3</sub>F<sub>6</sub> and NaSnC<sub>2</sub>O<sub>4</sub>F·H<sub>2</sub>O: two tin(II) fluoride oxalates display large birefringence.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 2619-2625
2022992 CIF
HKL
Paper
C8 H12 Cu N6 O6P -16.8465; 7.1097; 7.209
79.267; 83.193; 64.076
309.8Petrenko, Yuliia P.; Vynohradov, Oleksandr S.; Khomenko, Dmytro M.; Doroshchuk, Roman O.; Raspertova, Ilona V.; Shova, Sergiu; Lampeka, Rostyslav D.
Crystal structure and Hirshfeld-surface analysis of di-aqua-bis-(5-methyl-1<i>H</i>-1,2,4-triazole-3-carboxyl-ato)copper(II).
Acta crystallographica. Section E, Crystallographic communications, 2024, 80, 54-57
2023188 CIF
Paper
C6 H10 Cd I2 N6P -15.1007; 6.9544; 9.047
83.198; 79.962; 81.742
311.289Kuzevanova, Iryna S.; Vynohradov, Oleksandr S.; Pavlenko, Vadim A.; Malinkin, Sergey O.; Shova, Sergiu; Fritsky, Igor O.; Seredyuk, Maksym
Crystal structure of polymeric bis(3-amino-1H-pyrazole)cadmium diiodide
Acta Crystallographica Section E Crystallographic Communications, 2024, 80
2312571 CIF
HKL
Paper
C8 H14 Ni O12P -15.178; 7.3254; 9.1449
108.423; 104.583; 92.929
315.25Pinto, Camila B.; Dos Santos, Leonardo H. R.; Rodrigues, Bernardo L.
Further evaluation of the shape of atomic Hirshfeld surfaces: M...H contacts and homoatomic bonds.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
1571421 CIFC4 H4 N2 O2 SP -15.4317; 7.1254; 8.5194
95.165; 96.669; 104.049
315.3Philippi, Frederik; Middendorf, Maleen; Shigenobu, Keisuke; Matsuyama, Yuna; Palumbo, Oriele; Pugh, David; Sudoh, Taku; Dokko, Kaoru; Watanabe, Masayoshi; Schönhoff, Monika; Shinoda, Wataru; Ueno, Kazuhide
Evolving better solvate electrolytes for lithium secondary batteries.
Chemical science, 2024, 15, 7342-7358
7133359 CIFC14 H8 N2 O8P -14.9931; 5.055; 12.7089
87.739; 85.844; 80.408
315.34Omura, Takumi; Morisako, Shogo; Isoda, Kyosuke
Amino acid-appended pyromellitic diimide liquid materials, their photoluminescence, and the thermal response that turns the photoluminescence off.
Chemical communications (Cambridge, England), 2024, 60, 9352-9355
7717323 CIFO4 Pb TeI 1 2/a 15.4142; 4.9471; 12.0437
90; 99.603; 90
318.07Hladik, Michael; Penz, Armin; Purtscher, Felix R. S.; Hofer, Thomas S.; Heymann, Gunter; Weil, Matthias
High-pressure synthesis and crystal structure analysis of PbTeO<sub>4</sub>, a UV transparent material.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 19214-19225
2312570 CIF
HKL
Paper
C8 H14 Co O12P -15.2222; 7.3322; 9.2293
109.125; 104.376; 93.224
319.76Pinto, Camila B.; Dos Santos, Leonardo H. R.; Rodrigues, Bernardo L.
Further evaluation of the shape of atomic Hirshfeld surfaces: M...H contacts and homoatomic bonds.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
2312572 CIF
HKL
Paper
C8 H14 O12 ZnP -15.2307; 7.3259; 9.2246
108.753; 104.626; 93.202
320.23Pinto, Camila B.; Dos Santos, Leonardo H. R.; Rodrigues, Bernardo L.
Further evaluation of the shape of atomic Hirshfeld surfaces: M...H contacts and homoatomic bonds.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
7249534 CIFC5 H4 K N5P 1 21 16.648; 7.4057; 7.122
90; 113.802; 90
320.81Kaur, Sarabjeet; Harvey, Jeremy; Van Meervelt, Luc; Kirschhock, Christine E. A.
Crystal structures of potassium and cesium salts of adenine: the role of alkali cations
CrystEngComm, 2024, 26, 6805-6812
7248445 CIFC10 F18P -15.7499; 7.1098; 9.2311
111.689; 89.194; 111.435
323.19Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland
Structural chemistry of decalins and perfluorodecalins
CrystEngComm, 2024, 26, 2474-2490
1571167 CIF
Paper
Nd0.67 O4 WI 41/a :25.3048; 5.3048; 11.4999
90; 90; 90
323.62Knies, Benjamin; Hartenbach, Ingo
Crystal structure of defect scheelite-type Nd2/3[WO4]
IUCrData, 2024, 9
7248441 CIFC10 F18P -15.7433; 7.1269; 9.2269
111.701; 89.034; 111.392
323.68Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland
Structural chemistry of decalins and perfluorodecalins
CrystEngComm, 2024, 26, 2474-2490
7249994 CIFC17 H11 Cl O2P 14.9955; 5.9148; 11.7073
103.743; 98.978; 97.252
327.06Rath, Sibani; Lamba, Pinki; Sravan Kumar Reddy, P.; Anugam, Vamshi Krishna; Ramachary, Dhevalapally B.
Sustainable construction of value-added naphthoquinones for pharmaceuticals
Green Chemistry, 2024
7248444 CIFC10 F18P -15.7954; 7.1695; 9.3027
111.803; 89.4664; 111.572
330.1Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland
Structural chemistry of decalins and perfluorodecalins
CrystEngComm, 2024, 26, 2474-2490
7248442 CIFC10 F18P -15.7891; 7.1855; 9.3
111.813; 89.307; 111.525
330.64Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland
Structural chemistry of decalins and perfluorodecalins
CrystEngComm, 2024, 26, 2474-2490
2312569 CIF
HKL
Paper
C8 H14 Mn O12P -15.3263; 7.3743; 9.3688
109.863; 104.606; 93.344
330.69Pinto, Camila B.; Dos Santos, Leonardo H. R.; Rodrigues, Bernardo L.
Further evaluation of the shape of atomic Hirshfeld surfaces: M...H contacts and homoatomic bonds.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
7248446 CIFC10 F18P -15.94; 7.257; 9.19
111.733; 89.911; 113.546
332.33Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland
Structural chemistry of decalins and perfluorodecalins
CrystEngComm, 2024, 26, 2474-2490
7063481 CIFC2 H K N6 O4P 1 21 14.8171; 9.132; 7.6157
90; 92.019; 90
334.805Guo, Jinkun; Huang, Shiliang; Wei, Liyuan; Lang, Qing; Hao, Wenjia; Xu, Yuangang; Liu, Yu; Lu, Ming
Dinitromethyltetrazole (DNMT)-based energetic coordination polymers (ECPs) as lead-free primary explosives and laser initiators
New Journal of Chemistry, 2024, 48, 18014-18021
7248991 CIFC6 Au3 Cd K N6P 3 1 26.8645; 6.8645; 8.2138
90; 90; 120
335.19Mojica, R.; Vázquez, M C; Torres, A. E.; Avila, Y.; Borja-Urby, R; Rodríguez-Hernández, J; Reguera, E.
A first principles study of the electronic structure and optical response of heterobimetallic M-dicyanoaurate-based coordination polymers (M = Mn, Co, Ni, Zn and Cd).
Physical chemistry chemical physics : PCCP, 2024, 26, 20576-20584
1571504 CIFBa3 Cl F14 Hf2 KP -4 m 25.7439; 5.7439; 10.2541
90; 90; 90
338.31Yan, Mei; Hu, Chun-Li; Tang, Ru-Ling; Yao, Wen-Dong; Liu, Wenlong; Guo, Sheng-Ping
KBa<sub>3</sub>M<sub>2</sub>F<sub>14</sub>Cl (M = Zr, Hf): novel short-wavelength mixed metal halides with the largest second-harmonic generation responses contributed by mixed functional moieties.
Chemical science, 2024, 15, 8500-8505
7248443 CIFC10 F18P -15.8708; 7.2213; 9.3736
111.871; 90.014; 111.475
338.87Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland
Structural chemistry of decalins and perfluorodecalins
CrystEngComm, 2024, 26, 2474-2490
1571503 CIFBa3 Cl F14 K Zr2P -4 m 25.7502; 5.7502; 10.2521
90; 90; 90
338.98Yan, Mei; Hu, Chun-Li; Tang, Ru-Ling; Yao, Wen-Dong; Liu, Wenlong; Guo, Sheng-Ping
KBa<sub>3</sub>M<sub>2</sub>F<sub>14</sub>Cl (M = Zr, Hf): novel short-wavelength mixed metal halides with the largest second-harmonic generation responses contributed by mixed functional moieties.
Chemical science, 2024, 15, 8500-8505
7249274 CIFC5 H5 Cl N2 O SP -15.0499; 7.4591; 9.4964
90.462; 91.106; 108.081
339.94Pate, Sophie; Taujanskas, Joshua; Wells, Robyn; Robertson, Craig M.; O'Neill, Paul M.; Stachulski, Andrew V.
Convenient syntheses of 2-acylamino-4-halothiazoles and acylated derivatives using a versatile Boc-intermediate
RSC Advances, 2024, 14, 27894-27903
7248453 CIFC10 F18P -16.0143; 7.3233; 9.274
111.955; 90.006; 113.796
341.11Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland
Structural chemistry of decalins and perfluorodecalins
CrystEngComm, 2024, 26, 2474-2490
7248283 CIFC7 H8 O3P -17.1414; 7.6229; 7.6784
62.162; 68.379; 76.408
342.61Thirumalaisamy, Anitha; Karuppannan, Srinivasan
Nucleation control and separation of ethyl maltol polymorphs under different growth conditions through solution crystallization process in selected solvent environments
CrystEngComm, 2024, 26, 1902-1911
2312425 CIFCa8 O16 Si4P n m a6.776; 5.496; 9.252
90; 90; 90
344.553Plana-Ruiz, Sergi; Götz, Emilia; Neumann, Thomas; Schwesig, Peter; Kolb, Ute
Three-dimensional electron diffraction on clinkers: the belite α'<sub>H</sub> incommensurate modulated structure.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 105-116
2312426 CIFCa8 O16 Si4P n m a6.776; 5.496; 9.252
90; 90; 90
344.553Plana-Ruiz, Sergi; Götz, Emilia; Neumann, Thomas; Schwesig, Peter; Kolb, Ute
Three-dimensional electron diffraction on clinkers: the belite α'<sub>H</sub> incommensurate modulated structure.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 105-116
2312427 CIFCa8 O16 Si4P n m a6.765; 5.514; 9.25
90; 90; 90
345.045Plana-Ruiz, Sergi; Götz, Emilia; Neumann, Thomas; Schwesig, Peter; Kolb, Ute
Three-dimensional electron diffraction on clinkers: the belite α'<sub>H</sub> incommensurate modulated structure.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 105-116
2312428 CIFCa8 O16 Si4P n m a6.765; 5.514; 9.25
90; 90; 90
345.045Plana-Ruiz, Sergi; Götz, Emilia; Neumann, Thomas; Schwesig, Peter; Kolb, Ute
Three-dimensional electron diffraction on clinkers: the belite α'<sub>H</sub> incommensurate modulated structure.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 105-116
1572678 CIFLu2 O6 TeP 3 2 18.9459; 8.9459; 5.0618
90; 90; 120
350.819Cao, Tingting; Guo, Feifei; Hu, Fuai; Tao, Xutang; Gao, Zeliang
Novel laser crystal Lu2TeO6: crystal growth, thermal properties, and spectral analysis
CrystEngComm, 2024, 26, 5953-5959
2023072 CIF
Paper
C8 H7 N O2P -16.6279; 7.3272; 8.2308
67.271; 83.403; 73.006
352.58Florez-Muñoz, Valentina; Guerrero, Andres Felipe; Macias, Mario; Illicachi, Luis Alberto; D'Vries, Richard
Synthesis, characterization and supra-molecular analysis for (<i>E</i>)-3-(pyridin-4-yl)acrylic acid.
Acta crystallographica. Section E, Crystallographic communications, 2024, 80, 388-391
7248636 CIFC7 H4 N2 O2 SP -16.9301; 7.3617; 8.2491
91.5; 107.919; 115.929
353.72Alfuth, Jan; Czapik, Agnieszka; Zadykowicz, Beata; Olszewska, Teresa
Hydrogen and chalcogen bonds in crystals of chalcogenadiazolecarboxylic acids – competition or cooperation?
CrystEngComm, 2024, 26, 2918-2927
7132472 CIFC5 H4 N6 O2P 1 21 16.6812; 7.0171; 7.8472
90; 104.571; 90
356.06Balaraju, Muntha; Kommu, Nagarjuna; Vangara, Srinivas; Sahoo, Aswini K.; Thaltiri, Vikranth; Sahoo, Akhila K.
Synthetic manifestation of trinitro-pyrazolo-2<i>H</i>-1,2,3-triazoles (TNPT) as insensitive energetic materials.
Chemical communications (Cambridge, England), 2024, 60, 827-830
7160210 CIFC4 H2 N6 S2P 1 21/n 13.7758; 18.2803; 5.4893
90; 109.377; 90
357.42Cheruthu, Nusaiba Madappuram; Hashim, P. K.; Sahu, Saugata; Takahashi, Kiyonori; Nakamura, Takayoshi; Mitomo, Hideyuki; Ijiro, Kuniharu; Tamaoki, Nobuyuki
Azophotoswitches containing thiazole, isothiazole, thiadiazole, and isothiadiazole.
Organic & biomolecular chemistry, 2024, 23, 207-212
7132415 CIFB4 O9 Pb TeP -16.574; 6.7445; 9.8903
70.105; 78.877; 61.726
362.88Zhang, Ruonan; Tudi, Abudukadi; Yang, Xia; Wang, Xuping; Yang, Zhihua; Han, Shujuan; Pan, Shilie
PbTeB<sub>4</sub>O<sub>9</sub>: a lead tellurium borate with unprecedented fundamental building block [B<sub>4</sub>O<sub>10</sub>] and large birefringence.
Chemical communications (Cambridge, England), 2024, 60, 340-343
7715721 CIFC10 H28 Al2 N2P -17.0931; 7.1791; 7.9448
65.927; 79.774; 85.949
363.51Huster, Niklas; Mullins, Rita; Nolan, Michael; Devi, Anjana
Self-reducing precursors for aluminium metal thin films: evaluation of stable aluminium hydrides for vapor phase aluminium deposition.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 7711-7720
7132970 CIFFe Nb Te2P 1 21/c 17.28; 6.305; 7.992
90; 92.33; 90
366.5Stepanova, Anna V.; Mironov, Andrei V.; Bogach, Alexey V.; Azarevich, Andrey N.; Presniakov, Igor A.; Sobolev, Alexey V.; Pankratov, Denis A.; Zayakhanov, Vladimir A.; Starchikov, Sergey S.; Verchenko, Valeriy Yu; Shevelkov, Andrei V.
Bulk ferromagnetism in cleavable van der Waals telluride NbFeTe<sub>2</sub>.
Chemical communications (Cambridge, England), 2024, 60, 5518-5521
1571115 CIFC H8 Mg N2 O7 SP -15.214; 7.7014; 10.4275
68.758; 77.177; 71.498
367.38Nikolova, Rositsa; Kostov-Kytin, Vladislav; Petrova, Nadia; Kossev, Krasimir; Titorenkova, Rositsa; Velyanova, Gergana
New Data on Crystal Phases in the System MgSO4–OC(NH2)2–H2O
Crystals, 2024, 14, 227
7063271 CIFC4 H6 N10P 1 21/n 13.5601; 12.1278; 8.6009
90; 96.628; 90
368.87Hou, Tianjiao; Leng, Huiting; Chen, Mengjia; Luo, Jun; Zhang, Chong; Zhang, Yu; Yi, Zhenxin; Zhang, Shunlin; Shen, Xuan
Integrating three types of structure reinforcements abounding in heat-resistant explosives to construct a 3D solvent-free EMOF with superb stability
New Journal of Chemistry, 2024, 48, 12697-12705
1573568 CIF
Paper
H4 O10 S2 SnP 1 21/c 17.03475; 5.65165; 9.70464
90; 106.852; 90
369.267Fjellvåg, Øystein Slagtern; Fjellvåg, Helmer
Sn(SO4)2·2H2O from synchrotron powder data
IUCrData, 2024, 9
7248017 CIFC12 H23 N O6P 15.8953; 7.8109; 8.5294
71.666; 86.269; 86.169
371.586Ge, Shuwang; Fu, Mingwei; Gu, Dihai; Wei, Lai; Qian, Kun; Rui, Qi; Ma, Yan; Li, Liang; Wang, Huaiqiu; Li, Lingchao; Ge, Min; Wang, Yihong
Design and process study of chiral separation of (2S,4S)-1-(tert-butoxy carbonyl)-4-(methoxymethyl) pyrrolidine-2-carboxylic acid for green manufacturing
Green Chemistry, 2024, 26, 2673-2683
7160211 CIFC4 H2 N6 S2P 1 21/c 15.4717; 9.3558; 7.3148
90; 95.154; 90
372.95Cheruthu, Nusaiba Madappuram; Hashim, P. K.; Sahu, Saugata; Takahashi, Kiyonori; Nakamura, Takayoshi; Mitomo, Hideyuki; Ijiro, Kuniharu; Tamaoki, Nobuyuki
Azophotoswitches containing thiazole, isothiazole, thiadiazole, and isothiadiazole.
Organic & biomolecular chemistry, 2024, 23, 207-212
7133878 CIFC7 Cl6 N PP m -3 m7.2009; 7.2009; 7.2009
90; 90; 90
373.39Ernst, Moritz J.; Kleoff, Merlin; Voßnacker, Patrick; Thiele, Günther; Müller, Christian; Riedel, Sebastian
A polychloride-enabled synthesis of [NEt<sub>3</sub>Me][PCl<sub>6</sub>] serving as a potential PCl<sub>3</sub>-storage and PCl<sub>5</sub>-reagent.
Chemical communications (Cambridge, England), 2024, 60, 13372-13375
2312597 CIF
HKL
Paper
C14 H10 Cd N2 O10P -14.9317; 5.441; 14.014
84.255; 88.521; 87.532
373.7Zhang, Zheng; Zhao, Lei; Yu, Hai Yan; Zhang, Hong Tao
2D coordination polymers of cadmium(II) and zinc(II) derived from N,N'-bis(glycinyl)pyromellitic diimide: microwave-assisted synthesis, structures, spectroscopic properties and influence of metal-ion size.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
1573680 CIF
Paper
C2 H7 Ce O8 SP -16.8424; 6.9984; 8.7888
110.448; 90.099; 107.307
373.851Ruser, Niklas; Näther, Christian; Stock, Norbert
2024
7063485 CIFC2 H Cs N6 O4P -14.92; 8.99; 9.6109
65.39; 84.667; 75.517
374.17Guo, Jinkun; Huang, Shiliang; Wei, Liyuan; Lang, Qing; Hao, Wenjia; Xu, Yuangang; Liu, Yu; Lu, Ming
Dinitromethyltetrazole (DNMT)-based energetic coordination polymers (ECPs) as lead-free primary explosives and laser initiators
New Journal of Chemistry, 2024, 48, 18014-18021
2312706 CIF
HKL
C10 H9 Cu2 Mo2 N2 O8.5P -15.612; 5.7724; 12.4665
95.99; 93.999; 110.227
374.444Moya, Marielsys; Liendo-Polanco, Gustavo R; Atencio, Reinaldo; Silva, Pedro; Henao, Jose A.; Bruno-Colmenares, Julia
Coordination geometry flexibility driving supramolecular isomerism of Cu/Mo pillared-layer hybrid networks.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 782-792
7715832 CIFAg Co F5C 1 2/c 17.274; 7.628; 7.529
90; 115.976; 90
375.55Jezierski, Daniel; Mazej, Zoran; Grochala, Wojciech
Novel ternary Ag<sup>II</sup>Co<sup>III</sup>F<sub>5</sub> fluoride: synthesis, structure and magnetic characteristics.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 13731-13742
7248937 CIFC4 H9 N7P 1 21/m 17.0037; 7.0175; 7.7191
90; 96.937; 90
376.6Wang, Pengfei; Liu, Lile; Sun, Zebang; Qin, Feng; Shi, Lei; Gao, Chao; Du, Yang; Zhang, Chong; Hu, Bingcheng; Sun, Chengguo
Constructing layered structure amidine-based pentazolate salts with low sensitivity
CrystEngComm, 2024, 26, 4114-4120
7249351 CIFC9 H9 N O2P 1 21 15.3771; 5.7567; 12.4675
90; 101.824; 90
377.73Heiner, Benjamin R.; Handy, Kaitlyn M.; Devlin, Angela M.; Soucek, Jewel L.; Pittsford, Alexander M.; Turner, David A.; Petersen, Jacob P.; Oliver, Allen G.; Corcelli, Steven A.; Kandel, S. Alex
Enantiopure molecules form apparently racemic monolayers of chiral cyclic pentamers.
Physical chemistry chemical physics : PCCP, 2024, 26, 25430-25438
1571766 CIFFe0.6666 Na2 O6 Te1.3333R -3 :H5.2598; 5.2598; 15.778
90; 90; 120
378.03Eder, Felix; Weil, Matthias
Ilmenite-type Na2(Fe2/3Te4/3)O6
IUCrData, 2024, 9
7133780 CIFC6 Cl4 Ga NP m -3 m7.2333; 7.2333; 7.2333
90; 90; 90
378.45Yang, Zhao; Zeng, Yiyi; Chen, Guoyong; Sun, Xiao; Zhang, Haina; Cai, Hu; Wei, Zhenhong
An organic-inorganic hybrid perovskite material [Me<sub>3</sub>NCMe<sub>3</sub>]GaCl<sub>4</sub> exhibits a two-step off-on-off SHG response with a large temperature interval.
Chemical communications (Cambridge, England), 2024, 60, 11992-11995
7715512 CIFCr I3 O9P 639.1319; 9.1319; 5.2815
90; 90; 120
381.43Chi, Yang; Xin, Mei-Ling
Chromium iodate: the structure and origin of optical second harmonic generation.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 7093-7099
1571471 CIFC3 Na2 O2I 1 2/a 18.313; 7.2925; 6.4432
90; 102.186; 90
381.8Krüger, Markus; Lamann-Glees, Alexandra; Sebastian, Sean S; Siegel, Renée; Senker, Jürgen; Hempelmann, Jan; Dronskowski, Richard; Ruschewitz, Uwe
Na<sub>2</sub>C<sub>3</sub>O<sub>2</sub>: The First Crystalline Compound with the Elusive <sup>-</sup>C≡C-COO<sup>-</sup> Anion.
Angewandte Chemie (International ed. in English), 2024, e202402978
7716193 CIFC8 H16 Br4 O2 ZrP -17.142; 7.5304; 8.0799
87.085; 68.311; 71.788
382.53Seno, Carlotta; Pokratath, Rohan; Unniram Parambil, Ajmal Roshan; Van den Eynden, Dietger; Dhaene, Evert; Prescimone, Alessandro; De Roo, Jonathan
Complexation and disproportionation of group 4 metal (alkoxy) halides with phosphine oxides.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 9862-9873
7133890 CIFC6 H4 Cl2 N2 Ni OP 1 2/c 13.52; 8.96; 12.17
90; 93.05; 90
383Myatt, Emily; Lata, Simrun; Pitcairn, Jem; Daisenberger, Dominik; Kronawitter, Silva M.; Hallweger, Sebastian A.; Kieslich, Gregor; Argent, Stephen P.; Tidey, Jeremiah P.; Cliffe, Matthew J.
Ligand solid-solution tuning of magnetic and mechanical properties of the van der Waals metal-organic magnet NiCl<sub>2</sub>(btd)<sub>1-<i>x</i></sub>(bod)<sub><i>x</i></sub>.
Chemical communications (Cambridge, England), 2024, 60, 14427-14430
1572907 CIFC7 H10 Cl N OP 1 21/m 16.2444; 9.2125; 6.7656
90; 94.855; 90
387.81Limberg, Niklas; Rautiainen, J. Mikko; Lundell, Jan; Riedel, Sebastian; Rissanen, Kari; Puttreddy, Rakesh
Dichlorine-pyridine <i>N</i>-oxide halogen-bonded complexes.
Chemical science, 2024, 15, 18840-18845
7716927 CIFK3 O8 P2 TbP 1 21/m 17.4128; 5.5975; 9.458
90; 90.65; 90
392.4Chornii, Vitalii; Terebilenko, Kateryna; Gural'skiy, Il'ya; Slobodyanik, Mykola; Zozulia, Valeriia; Shova, Sergiu; Zhydachevskyy, Yaroslav; Nedilko, Serhii G.
Structural and spectroscopic insights into the performance of K<sub>3</sub>Tb(PO<sub>4</sub>)<sub>2</sub> green phosphor.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 15583-15594
7717495 CIFC2 N2 O2 PbP n m a8.5689; 3.941; 11.66
90; 90; 90
393.76Shlyaykher, Alena; Živković, Aleksandar; Günther, Hennes; Barba, Anna Lea; de Leeuw, Nora H.; Tambornino, Frank
Synthesis, XRD and DFT studies on Pb[ChCN]<sub>2</sub> (Ch = O, S, Se) and Pb[SeCN][OH].
Dalton transactions (Cambridge, England : 2003), 2024, 54, 74-88
7133086 CIFC5 H12 I NI 4/m7.3846; 7.3846; 7.2299
90; 90; 90
394.263Möbs, Jakob; Tomori, Ajna; Heine, Johanna
Formation of iminium ions during the processing of metal halide perovskites.
Chemical communications (Cambridge, England), 2024, 60, 6488-6491
2023296 CIF
Paper
C5 H6 Br I N2P -15.2152; 7.8039; 10.1294
93.3762; 104.111; 96.4297
395.71Mukda, Benjamin A.; Dickie, Diane A.; Turnbull, Mark M.
Salts of 2-amino-5-iodopyridinium
Acta Crystallographica Section E Crystallographic Communications, 2024, 80, 1230-1234
7133888 CIFC6 H4 Cl2 N2 Ni SP m m a12.67; 3.55; 8.87
90; 90; 90
399Myatt, Emily; Lata, Simrun; Pitcairn, Jem; Daisenberger, Dominik; Kronawitter, Silva M.; Hallweger, Sebastian A.; Kieslich, Gregor; Argent, Stephen P.; Tidey, Jeremiah P.; Cliffe, Matthew J.
Ligand solid-solution tuning of magnetic and mechanical properties of the van der Waals metal-organic magnet NiCl<sub>2</sub>(btd)<sub>1-<i>x</i></sub>(bod)<sub><i>x</i></sub>.
Chemical communications (Cambridge, England), 2024, 60, 14427-14430
7247984 CIFCl0.5 Na4.5 O8 P2 ZnP -15.1554; 8.9641; 9.1377
100.539; 104.874; 90.936
400.36Yakubovich, Olga; Kiriukhina, Galina; Volkov, Anatoly; Simonov, Sergey; Yapaskurt, Vasiliy; Dimitrova, Olga
Crystal chemistry and predicted ionic conductivity of hydrothermally synthesized Na9Zn2(PO4)4Cl
CrystEngComm, 2024, 26, 848-855
7249353 CIFC7 H8 N4 O2P 1 n 13.8744; 12.8898; 8.1167
90; 98.965; 90
400.4Konovalova, Irina S.; Shishkina, Svitlana V.; Wyshusek, Maik; Patzer, Michael; Reiss, Guido J.
Supramolecular architecture of theophylline polymorphs, monohydrate and co-crystals with iodine: study from the energetic viewpoint
RSC Advances, 2024, 14, 29774-29788
1572727 CIF
Paper
C2 H4 Br N OP 1 21/c 110.373; 5.1899; 7.557
90; 99.94; 90
400.7Schwarzer, Anke; Stapf, Manuel
2-Bromoacetamide
IUCrData, 2024, 9
1572954 CIF
Paper
C8 H8 Cl N O2P 1 21 16.5088; 5.1758; 12.2175
90; 101.649; 90
403.11El Moutaouakil Ala Allah, Abderrazzak; Kariuki, Benson M.; Ameziane El Hassani, Issam; Alsubari, Abdulsalam; Guerrab, Walid; A. Said, Musa; Ramli, Youssef
2024
7247651 CIFAs2 Eu In2R -3 m :H4.2102; 4.2102; 26.3814
90; 90; 120
404.98Wu, D. S.; Na, S. H.; Li, Y. J.; Zhou, X. B.; Wu, W.; Song, Y. T.; Zheng, P.; Li, Z.; Luo, J. L.
Single-crystal growth, structure and thermal transport properties of the metallic antiferromagnet Zintl-phase β-EuIn<sub>2</sub>As<sub>2</sub>.
Physical chemistry chemical physics : PCCP, 2024, 26, 8695-8703
7249608 CIFC10 H20 N4 O8 P2P -16.999; 7.137; 9.596
104.55; 93.32; 117.03
405Budzikur-Maciąg, Daria; Kinzhybalo, Vasyl; Ślepokura, Katarzyna
Structural landscape studies of aminopyridinium hypodiphosphates: dehydration and polymorphism in 4-aminopyridinium salts
CrystEngComm, 2024, 26, 6861-6872
1571154 CIFC8 H4 N2 Se2P 1 21/n 14.1984; 8.1335; 12.0157
90; 96.9877; 90
407.26Hüßler, Christopher; Dietl, Martin C.; Kahle, Justin; Lopes, Eric F.; Kawamura, Miku; Krämer, Petra; Rominger, Frank; Rudolph, Matthias; Hachiya, Iwao; Hashmi, A Stephen K
Synthesis and structural properties of <i>para</i>-diselenopyrazines.
Chemical communications (Cambridge, England), 2024, 60, 3786-3789
7716073 CIFCr Mn6 O12 PbI m -37.41679; 7.41679; 7.41679
90; 90; 90
407.989Xue, Man; Yan, Xiaohui; Xu, Deyang; Zheng, Bin; Guo, Wenbin; Kuang, Xiaojun; Lei, Xiuyun; Yin, Congling
High-pressure synthesis of A-site ordered perovskite PbMn<sub>3</sub>(CrMn<sub>3</sub>)O<sub>12</sub> with long-range antiferromagnetic ordering and a spin glass transition.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 9819-9826
1571116 CIFC H10 Mg N2 O8 SP 1 21 15.2452; 7.708; 10.23
90; 94.291; 90
412.44Nikolova, Rositsa; Kostov-Kytin, Vladislav; Petrova, Nadia; Kossev, Krasimir; Titorenkova, Rositsa; Velyanova, Gergana
New Data on Crystal Phases in the System MgSO4–OC(NH2)2–H2O
Crystals, 2024, 14, 227
7248294 CIFC22 H11 N5P -17.03; 7.8302; 7.8567
73.722; 88.51; 84.102
412.95Yao, Wenxiu; Wu, Pengfei; Xie, Yidan; Shen, Xinyu; Xia, Shuwei; Yu, Liangmin
Synthesis and photophysical properties of charge transfer cocrystals based on TCNB and fluorene and its derivatives
CrystEngComm, 2024, 26, 2155-2165
7717285 CIFB5 H3 K Na O10P -16.6157; 6.6221; 11.1837
78.713; 76.654; 60.592
413.33Li, Xiaojing; Zhang, Luyong; Li, Fuming; Yang, Zhihua; Hou, Xueling; Zhang, Fangfang
Syntheses, structures and properties of two new members of the pentaborate family: NaKB<sub>5</sub>O<sub>8</sub>(OH)·H<sub>2</sub>O and KB<sub>5</sub>O<sub>8</sub>·2H<sub>2</sub>O.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 18782-18788
7715798 CIFF K Mn O4 PP 21 21 214.7884; 9.0172; 9.5801
90; 90; 90
413.65Yakubovich, Olga V.; Shvanskaya, Larisa V.; Kiriukhina, Galina V.; Simonov, Sergei; Volkov, Anatoliy S.; Dimitrova, Olga V.; Korolev, Vladimir V.; Ovchenkov, Yevgeniy A.; Vasiliev, Alexander N.
Crystal structure of KMnPO<sub>4</sub>F with short- and long-range order inside the layered magnetic system.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 9216-9223
7717497 CIFC H N O Pb SeP n m a8.6244; 4.1674; 11.5412
90; 90; 90
414.81Shlyaykher, Alena; Živković, Aleksandar; Günther, Hennes; Barba, Anna Lea; de Leeuw, Nora H.; Tambornino, Frank
Synthesis, XRD and DFT studies on Pb[ChCN]<sub>2</sub> (Ch = O, S, Se) and Pb[SeCN][OH].
Dalton transactions (Cambridge, England : 2003), 2024, 54, 74-88
1570442 CIFC4 H10 OP 1 21/c 16.7612; 8.0271; 7.6687
90; 93.784; 90
415.29Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin
Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure.
IUCrJ, 2024, 11, 57-61
1570443 CIFC4 H10 OI 1 2/a 17.7073; 4.0885; 13.233
90; 93.793; 90
416.08Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin
Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure.
IUCrJ, 2024, 11, 57-61
7247857 CIFC9 H6 N2 O2P -13.7781; 7.5804; 14.7776
94.101; 93.691; 96.948
417.9Qi, Jing; Wang, Xiyan; Wang, Gan; Dubbaka, Srinivas Reddy; O'Neill, Patrick; Ang, Hwee Ting; Wu, Jie
Sustainable electrocatalytic oxidation of N-alkylamides to acyclic imides using H2O
Green Chemistry, 2024, 26, 306-311
7063352 CIFC2 H3 F10 O SbP -16.3267; 7.8117; 8.5217
85.971; 87.605; 85.482
418.54Steiner, Sebastian; Shafiq, Zurwa M.; Nitzer, Alexander; Hollenwäger, Dirk; Kornath, Andreas J.
HF-addition to haloacetyl fluorides in superacidic media
New Journal of Chemistry, 2024, 48, 13846-13853
1570441 CIFC4 H10 OP 1 21/c 16.7759; 8.0552; 7.6873
90; 93.713; 90
418.7Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin
Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure.
IUCrJ, 2024, 11, 57-61
2023182 CIF
Paper
C10 H10 N2P 1 21 15.6651; 5.7566; 13.2321
90; 101.732; 90
422.51Hayward, Emily R.; Zeller, Matthias; Mezei, Gellert
Chiral <i>versus</i> achiral crystal structures of 4-benzyl-1<i>H</i>-pyrazole and its 3,5-di-amino derivative.
Acta crystallographica. Section E, Crystallographic communications, 2024, 80, 800-805
1570440 CIFC4 H10 OP 1 21/c 16.7948; 8.0952; 7.7259
90; 93.621; 90
424.12Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin
Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure.
IUCrJ, 2024, 11, 57-61
7248180 CIFC6 H7 O6 RbP -17.6763; 7.938; 8.2274
73.068; 67.252; 68.824
424.37Kavitha, S.; Vizhi, R. Ezhil
Investigation on the growth aspects and properties of rubidium hydrogen succinate hydrate single crystal for NLO applications
RSC Advances, 2024, 14, 6016-6027
7248292 CIFC23 H12 N4P -17.1852; 7.8039; 7.9484
73.766; 83.955; 88.769
425.52Yao, Wenxiu; Wu, Pengfei; Xie, Yidan; Shen, Xinyu; Xia, Shuwei; Yu, Liangmin
Synthesis and photophysical properties of charge transfer cocrystals based on TCNB and fluorene and its derivatives
CrystEngComm, 2024, 26, 2155-2165
7063548 CIFC4 H F8 O2 SbP -17.68; 7.9588; 8.2202
102.824; 104.736; 110.992
425.53Hollenwäger, Dirk; Nitzer, Alexander; Leitz, Dominik; Kornath, Andreas J.
Structures and properties of the mono- and diprotonated species of acetylenedicarbonyl fluoride
New Journal of Chemistry, 2024, 48, 20140-20148
3000475 CIFC9 H8 N O2P -14.6343; 7.5342; 12.9284
74.649; 84.853; 78.442
426.15Deka, Poonam; Jaiswal, Shilpi; Sarma, Parishmita; Bora, Debajit; Nakane, Takanori; Kawamoto, Akihiro; Kurisu, Genji; Mahanta, Sanjeev Pran; Patra, Abhijit; Ichiyanagi, Kouhei; Sasaki, Toshiyuki; Thakuria, Ranjit
Analysis of Solid-State Emission of the p-Bis(2,2-dicyanovinyl)benzene Analogue through Combined X-ray, Synchrotron, and Microcrystal Electron Diffraction
Crystal Growth & Design, 2024, 24, 7222-7234
7248004 CIFC3 F2 IP 1 21/c 17.9881; 6.0289; 9.0193
90; 100.291; 90
427.38Ohtsuka, Naoya; Ota, Hino; Sugiura, Satoshi; Kakinuma, Shuya; Sugiyama, Haruki; Suzuki, Toshiyasu; Momiyama, Norie
Perfluorohalogenated naphthalenes: synthesis, crystal structure, and intermolecular interaction
CrystEngComm, 2024, 26, 764-772
7159947 CIFC8 H12 O5P 1 21 18.5474; 5.4514; 9.7185
90; 109.269; 90
427.47Djokić, Sanja; Benedeković, Goran; Kesić, Jelena; Rodić, Marko V; Popsavin, Mirjana; Popsavin, Velimir; Francuz, Jovana
First total synthesis of asperilactone B. Revision of absolute stereochemistry of asperilactones B and C.
Organic & biomolecular chemistry, 2024, 22, 4864-4867
7248509 CIFC4 H12 Br PP 63 m c7.02188; 7.02188; 10.03217
90; 90; 120
428.383Gawraczyński, Jakub; Leszczyński, Piotr J.; Cyrański, Michał K.; Dobrzycki, Łukasz; Koźmiński, Wiktor; Fijałkowski, Karol J.; Grochala, Wojciech; Jaroń, Tomasz
Synthesis and structural trends in a series of simple tetraalkylphosphonium salts
CrystEngComm, 2024, 26, 2673-2682
2023092 CIF
Paper
As2 H7 N Ni3 O10C 1 2/m 110.178; 5.9156; 7.7158
90; 112.658; 90
428.71Eder, Felix; Weil, Matthias
Synthesis and crystal structure of (NH4)[Ni3(HAsO4)(AsO4)(OH)2]
Acta Crystallographica Section E Crystallographic Communications, 2024, 80
1572909 CIFC7 H9 Cl2 N OP 1 21/m 16.9789; 7.1228; 8.6438
90; 92.072; 90
429.4Limberg, Niklas; Rautiainen, J. Mikko; Lundell, Jan; Riedel, Sebastian; Rissanen, Kari; Puttreddy, Rakesh
Dichlorine-pyridine <i>N</i>-oxide halogen-bonded complexes.
Chemical science, 2024, 15, 18840-18845
1572534 CIFB3 K2 La2 Na O9A m m 25.1775; 11.4157; 7.2715
90; 90; 90
429.78Song, Jie; Zhao, Huijian; Li, Conggang; Ye, Ning; Hu, Zhanggui; Wu, Yicheng
A-site cation manipulation of exemplary second harmonic generation response and optical anisotropy in rare-earth borates.
Chemical science, 2024, 15, 16196-16204
2023205 CIF
Paper
C18 H14 F4 N2 O4P -14.6106; 8.839; 10.969
99.33; 99.431; 96.442
430.7Novikov, Egor M.; Guillen Campos, Jesus; Read de Alaniz, Javier; Fonari, Marina S.; Timofeeva, Tatiana V.
Synthesis, molecular and crystal structures of 4-amino-3,5-difluorobenzonitrile, ethyl 4-amino-3,5-difluorobenzoate, and diethyl 4,4′-(diazene-1,2-diyl)bis(3,5-difluorobenzoate)
Acta Crystallographica Section E Crystallographic Communications, 2024, 80
2312557 CIF
Paper
C3 H7 N O2P 21 21 215.89; 5.99; 12.22
90; 90; 90
431Kumar, Anil; Jha, Kunal Kumar; Olech, Barbara; Goral, Tomasz; Malinska, Maura; Woźniak, Krzysztof; Dominiak, Paulina Maria
TAAM refinement on high-resolution experimental and simulated 3D ED/MicroED data for organic molecules.
Acta crystallographica. Section C, Structural chemistry, 2024, 80, 264-277
2312558 CIF
Paper
C3 H7 N O2P 21 21 215.89; 5.99; 12.22
90; 90; 90
431Kumar, Anil; Jha, Kunal Kumar; Olech, Barbara; Goral, Tomasz; Malinska, Maura; Woźniak, Krzysztof; Dominiak, Paulina Maria
TAAM refinement on high-resolution experimental and simulated 3D ED/MicroED data for organic molecules.
Acta crystallographica. Section C, Structural chemistry, 2024, 80, 264-277
1570439 CIFC4 H10 OP 1 21/c 16.8268; 8.1428; 7.7731
90; 93.443; 90
431.32Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin
Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure.
IUCrJ, 2024, 11, 57-61
7248449 CIFC10 H18P 1 21/n 15.267; 10.4832; 7.8148
90; 90.8405; 90
431.45Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland
Structural chemistry of decalins and perfluorodecalins
CrystEngComm, 2024, 26, 2474-2490
2023140 CIF
Paper
C19 H17 N O5 SP 15.526; 8.5012; 10.1076
110.91; 98.128; 96.006
432.885Naghiyev, Farid N.; Khrustalev, Victor N.; Akkurt, Mehmet; Huseynov, Elnur Z.; Bhattarai, Ajaya; Khalilov, Ali N.; Mamedov, İbrahim G.
Crystal structure and Hirshfeld surface analysis of dimethyl 2-oxo-4-(pyridin-2-yl)-6-(thiophen-2-yl)cyclohex-3-ene-1,3-dicarboxylate
Acta Crystallographica Section E Crystallographic Communications, 2024, 80
1571767 CIF
Paper
C6 H11 N O6 SP 1 21 14.8838; 18.3867; 5.1522
90; 110.325; 90
433.85Waters, James K.; Kelley, Steven P.; Mossine, Valeri V.; Mawhinney, Thomas P.
(S)-2-Carboxyethyl L-cysteinyl sulfone
IUCrData, 2024, 9
7159755 CIFC5 H5 O2C 1 m 16.3968; 15.9612; 4.3338
90; 100.453; 90
435.14Darole, Ratanamala S.; Choudhary, Shailendra Singh; Sharma, Himanshu; Mali, Bhupendra P.; Gopu, Booblan; Vanka, Kumar; Senthilkumar, Beeran
Brønsted acid- and Ni(II)-catalyzed C-H oxidation/rearrangement of cyclotriveratrylenes (CTVs) to cyclic and acyclic quinones as potential anti-cancer agents.
Organic & biomolecular chemistry, 2024, 22, 1038-1046
7063250 CIFBa Cu2 Se2P n m a9.607; 4.2145; 10.786
90; 90; 90
436.71Swati,; Yadav, Sweta; Shahid, Omair; Prakash, Jai
Syntheses of a series of BaCu2−xAgxSe2 (x = 0 – 1.0) selenides and evaluation of their thermoelectric properties
New Journal of Chemistry, 2024, 48, 11129-11139
7716392 CIFC5 H Co O4C 1 2/m 16.1151; 17.44; 4.5477
90; 115.606; 90
437.37Hulushe, Siya T.; Watkins, Gareth M.; Khanye, Setshaba D.
A cobalt(II) coordination polymer-derived catalyst engineered <i>via</i> temperature-induced semi-reversible single-crystal-to-single-crystal (SCSC) dehydration for efficient liquid-phase epoxidation of olefins.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 11326-11343
7062914 CIFC4 H3 N9 O5P 1 21 18.078; 6.215; 8.92
90; 102.188; 90
437.7Li, Jingwen; Zhang, Xun; Wang, Yaxi; Su, Dongshuai; Pang, Siping; He, Chunlin
Towards improved comprehensive energetic properties by skeleton modification
New Journal of Chemistry, 2024, 48, 1067-1070
1570438 CIFC2 H6 OP -14.25; 8.198; 12.6105
90.641; 93.97; 90.04
438.3Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin
Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure.
IUCrJ, 2024, 11, 57-61
7714750 CIFCe Cl Mo O4P 1 c 19.5513; 5.793; 7.9495
90; 90.014; 90
439.851Jiao, Zixian; Quah, Jasmine; Syed, Tajamul Hussain; Wei, Wei; Zhang, Bingbing; Wang, Fei; Wang, Jian
Synthesis, crystal and electronic structures, linear and nonlinear optical properties, and photocurrent response of oxyhalides CeHaVIO<sub>4</sub> (Ha = Cl, Br; VI = Mo, W).
Dalton transactions (Cambridge, England : 2003), 2024, 53, 2029-2038
2312692 CIF
Paper
C2 H Cl2 F6 O2 SbP 1 21 16.1616; 10.8379; 6.8805
90; 106.472; 90
440.61Steiner, Sebastian; Djordjevic, Kristina; Bockmair, Valentin; Hollenwäger, Dirk; Kornath, Andreas J.
Protonated oxalyl chloride and the ClCO<sup>+</sup> cation.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
7248460 CIFC10 H18P 1 21/n 15.3191; 10.564; 7.858
90; 90.7843; 90
441.51Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland
Structural chemistry of decalins and perfluorodecalins
CrystEngComm, 2024, 26, 2474-2490
2312436 CIF
HKL
B6 K3 O18 Sr3 Y3R -3 m :H5.3798; 5.3798; 17.6988
90; 90; 120
443.62Kuznetsov, Artem B.; Kokh, Konstantin A.; Gorelova, Liudmila A.; Sofich, Dmitry O.; Sagatov, Nursultan; Gavryushkin, Pavel N.; Vereshchagin, Oleg S.; Bocharov, Vladimir N.; Shevchenko, Vyacheslav S.; Kokh, Alexander E.
Growth, crystal structure and IR luminescence of KSrY<sub>1-x</sub>Er<sub>x</sub>(BO<sub>3</sub>)<sub>2</sub>.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80
2312377 CIF
HKL
C10 H8 N2 O2P -17.0199; 7.072; 9.6216
91.482; 98.773; 109.115
444.57Shishkina, Svitlana V.; Shaposhnyk, Anna M.; Konovalova, Irina S.; Dyakonenko, Victoriya V.; Vaksler, Yevhenii O.
Concomitant polymorphs of 2-imino-2H-chromene-3-carboxylic acid amide: experimental and quantum chemical study.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80
7159825 CIFC1.54 H1.38 N0.46P -16.3402; 7.4033; 10.8259
102.832; 92.959; 114.223
445.98Pal, Koustav; Srinivasu, Vinjamuri; Biswas, Sourabh; Sureshkumar, Devarajulu
Visible light-induced organo-photocatalyzed route to synthesize substituted pyrazoles.
Organic & biomolecular chemistry, 2024, 22, 2384-2388
7063252 CIFAg0.22 Ba Cu1.78 Se2P n m a9.697; 4.2397; 10.866
90; 90; 90
446.7Swati,; Yadav, Sweta; Shahid, Omair; Prakash, Jai
Syntheses of a series of BaCu2−xAgxSe2 (x = 0 – 1.0) selenides and evaluation of their thermoelectric properties
New Journal of Chemistry, 2024, 48, 11129-11139
7714974 CIFC6 F6 Na4 O12 Sn4P -16.0386; 8.8061; 9.1295
69.581; 81.532; 83.003
448.71Ren, Liying; Yin, Zeqiao; Wang, Shiyi; Lin, Zhengyan; Cao, Liling; Dong, Xuehua; Huang, Ling; Zhou, Yuqiao; Gao, Daojiang; Zou, Guohong
Na<sub>4</sub>Sn<sub>4</sub>(C<sub>2</sub>O<sub>4</sub>)<sub>3</sub>F<sub>6</sub> and NaSnC<sub>2</sub>O<sub>4</sub>F·H<sub>2</sub>O: two tin(II) fluoride oxalates display large birefringence.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 2619-2625
1571378 CIFC7 H7 F3 N4 O2P 1 21/m 15.0459; 9.373; 9.5454
90; 96.187; 90
448.82Yamba, Zaina; Peoble, Anna; Novikov, Egor; Castañeda, Raúl; Timofeeva, Tatiana
Interplay of Isomorphs and Polymorphs of Amidino-Copper(II) Complexes with Different Halides
Crystals, 2024, 14, 319
7716100 CIFC8 H2 O2 S4P 1 21/c 13.8723; 11.708; 9.9274
90; 90.31; 90
450.07Youssef, Khalil; Poidevin, Corentin; Vacher, Antoine; Fihey, Arnaud; Le Gal, Yann; Roisnel, Thierry; Lorcy, Dominique
Radical and diradical states of bis(molybdenocene dithiolene) complexes.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 9763-9776
1572916 CIFC16 H23 Cl3 N2 O2P -17.2228; 8.5908; 8.6321
68.449; 65.454; 78.43
452.42Limberg, Niklas; Rautiainen, J. Mikko; Lundell, Jan; Riedel, Sebastian; Rissanen, Kari; Puttreddy, Rakesh
Dichlorine-pyridine <i>N</i>-oxide halogen-bonded complexes.
Chemical science, 2024, 15, 18840-18845
7063166 CIFC8 H15 N3 OP 1 21 14.9628; 12.4177; 7.5022
90; 100.98; 90
453.871Podjed, Nina; Košmrlj, Janez; Modec, Barbara
Piperidine and piperazine analogs in action: zinc(ii)-mediated formation of amidines
New Journal of Chemistry, 2024, 48, 8844-8859
1570437 CIFC2 H6 OP -14.2888; 8.3045; 12.7912
90.249; 93.92; 90.14
454.5Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin
Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure.
IUCrJ, 2024, 11, 57-61
7248553 CIFC20 H13 N5 O4P 16.5102; 7.1433; 9.9181
95.079; 90.432; 97.825
455.06Zhang, Xiaokai; Li, Zhonghua; Han, Rui; Lin, Jiawei; Li, Maolin; Zhou, Jianmin; Wu, Songgu; Gong, Junbo
Modulation of luminescence properties of cocrystals composed of amino substituted dimethyl phthalates and 1,2,4,5-tetracyanobenzene by crystal engineering
CrystEngComm, 2024, 26, 2976-2988
7063253 CIFAg0.43 Ba Cu1.57 Se2P n m a9.7849; 4.2614; 10.9321
90; 90; 90
455.84Swati,; Yadav, Sweta; Shahid, Omair; Prakash, Jai
Syntheses of a series of BaCu2−xAgxSe2 (x = 0 – 1.0) selenides and evaluation of their thermoelectric properties
New Journal of Chemistry, 2024, 48, 11129-11139
7714749 CIFBr Ce Mo O4P 1 c 19.7775; 5.8209; 8.0322
90; 90.0106; 90
457.143Jiao, Zixian; Quah, Jasmine; Syed, Tajamul Hussain; Wei, Wei; Zhang, Bingbing; Wang, Fei; Wang, Jian
Synthesis, crystal and electronic structures, linear and nonlinear optical properties, and photocurrent response of oxyhalides CeHaVIO<sub>4</sub> (Ha = Cl, Br; VI = Mo, W).
Dalton transactions (Cambridge, England : 2003), 2024, 53, 2029-2038
7248291 CIFC23 H11 Br N4P -17.455; 7.934; 8.27
85.443; 76.787; 74.123
458Yao, Wenxiu; Wu, Pengfei; Xie, Yidan; Shen, Xinyu; Xia, Shuwei; Yu, Liangmin
Synthesis and photophysical properties of charge transfer cocrystals based on TCNB and fluorene and its derivatives
CrystEngComm, 2024, 26, 2155-2165
2023068 CIFC9 H9 Na O5P -16.3289; 6.8126; 11.253
75.05; 86.39; 78.09
458.65Bieler, Irén; Wagner, Christoph; Merzweiler, Kurt
Lithium and sodium 3-(3,4-di-hydroxy-phen-yl)propenoate hydrate.
Acta crystallographica. Section E, Crystallographic communications, 2024, 80, 401-407
1571313 CIFAs B F H4 N O4C 1 c 14.4453; 8.1098; 12.7463
90; 90; 90
459.51Bai, Zhiyong; Lee, Jihyun; Hu, Chun-Li; Zou, Guohong; Ok, Kang Min
Hydrogen bonding bolstered head-to-tail ligation of functional chromophores in a 0D SbF<sub>3</sub>·glycine adduct for a short-wave ultraviolet nonlinear optical material.
Chemical science, 2024, 15, 6572-6576
7249709 CIFC13 H26 N8 O6P 15.8709; 7.714; 11.1553
72.564; 81.718; 72.804
459.59Li, Qi; Xie, Yifei; Wang, Zhipeng; Li, Shuang; Yang, Shiying; Yang, Dezhi; Zhang, Li; Du, Guanhua; Lu, Yang
Optimization of physicochemical properties of theophylline by forming cocrystals with amino acids
RSC Advances, 2024, 14, 40006-40017
7063254 CIFAg0.51 Ba Cu1.49 Se2P n m a9.823; 4.2715; 10.975
90; 90; 90
460.5Swati,; Yadav, Sweta; Shahid, Omair; Prakash, Jai
Syntheses of a series of BaCu2−xAgxSe2 (x = 0 – 1.0) selenides and evaluation of their thermoelectric properties
New Journal of Chemistry, 2024, 48, 11129-11139
1571114 CIFAl F5 H14 Ni O7P -16.4022; 8.5874; 8.7691
104.255; 96.638; 94.816
460.96Seo, Jun Min; Jo, Hongil; Choi, Myung Ho; Ok, Kang Min; Chang, Hong Young; Kim, Sun Woo
Polymorphisms in M2+AlF5(H2O)7 (M2+ = Fe2+, Co2+, or Ni2+): Syntheses, Crystal Structures, and Characterization of New Mixed Metal Fluoride Hydrates
Crystals, 2024, 14, 197
7159925 CIFC9 H12 O4P 15.5136; 7.5778; 11.5822
78.459; 82.801; 77.467
461.13Li, Xiao-Dong; Li, Xiao-Ming; Wang, Bin-Gui; Li, Xin
Antimicrobial sesterterpenoids with a unique 5/8/6/5 tetracyclic carbon-ring-system and diepoxide polyketides from a deep sea-sediment-sourced fungus <i>Chaetomium globosum</i> SD-347.
Organic & biomolecular chemistry, 2024, 22, 3979-3985
7714907 CIFC13 H22 Au K N4 O7P -13.803; 10.937; 11.4861
79.722; 82.574; 81.366
462.17Mahdavi, Seyedeh Mahbobeh; Bockfeld, Dirk; Büssing, Rolf; Karge, Bianka; Bannenberg, Thomas; Frank, René; Brönstrup, Mark; Ott, Ingo; Tamm, Matthias
Synthesis of N-heterocyclic carbene gold(I) complexes from the marine betaine 1,3-dimethylimidazolium-4-carboxylate.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 1942-1946
2312525 CIF
HKL
Paper
C16 H24 N4 O6P -16.8383; 7.2272; 9.7427
82.921; 76.809; 82.043
462.18Balasubramanian, Hemalatha; Ashraf, Aarifa Muhammed; Karuppannan, Srikanth; Poomani, Kumaradhas
Synthesis and structural investigation of salts of 2-amino-3-methylpyridine with carboxylic acid derivatives: an experimental and theoretical study.
Acta crystallographica. Section C, Structural chemistry, 2024, 80, 302-310
7133408 CIFC10 H7 F3 O2P 1 21 18.51; 4.956; 11.481
90; 106.91; 90
463.3Kazi, Ayazoddin Aunoddin; Manjuladevi, Nadimpalli; Kumar, Salla Suresh; Sharma, Anamika; Singh, L. Ravithej
A quick access to CF<sub>3</sub>-containing functionalized benzofuranyl, benzothiophene and indolyl heterocycles under catalyst-free conditions.
Chemical communications (Cambridge, England), 2024, 60, 9376-9379
7063547 CIFC4 F2 O2P 41 21 25.8699; 5.8699; 13.4589
90; 90; 90
463.74Hollenwäger, Dirk; Nitzer, Alexander; Leitz, Dominik; Kornath, Andreas J.
Structures and properties of the mono- and diprotonated species of acetylenedicarbonyl fluoride
New Journal of Chemistry, 2024, 48, 20140-20148
7159899 CIFC12 H8 N2 O2P 1 21 13.7249; 9.6327; 12.9466
90; 92.843; 90
463.96Ohira, Kazuki; Kozuka, Kumpei; Kaneda, Naoki; Yamamoto, Masahiro; Imato, Keiichi; Ooyama, Yousuke
Photochromism of phenazine-2,3-diol derivatives through excited state intermolecular proton transfer based on keto-enol tautomerization.
Organic & biomolecular chemistry, 2024, 22, 4077-4088
7714751 CIFBr Ce O4 WP 1 c 19.8783; 5.9223; 7.9394
90; 90.0083; 90
464.473Jiao, Zixian; Quah, Jasmine; Syed, Tajamul Hussain; Wei, Wei; Zhang, Bingbing; Wang, Fei; Wang, Jian
Synthesis, crystal and electronic structures, linear and nonlinear optical properties, and photocurrent response of oxyhalides CeHaVIO<sub>4</sub> (Ha = Cl, Br; VI = Mo, W).
Dalton transactions (Cambridge, England : 2003), 2024, 53, 2029-2038
7714906 CIFC12 H22 Au K N4 O8P -13.78331; 11.0885; 11.4646
79.885; 82.696; 80.471
464.56Mahdavi, Seyedeh Mahbobeh; Bockfeld, Dirk; Büssing, Rolf; Karge, Bianka; Bannenberg, Thomas; Frank, René; Brönstrup, Mark; Ott, Ingo; Tamm, Matthias
Synthesis of N-heterocyclic carbene gold(I) complexes from the marine betaine 1,3-dimethylimidazolium-4-carboxylate.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 1942-1946
7715386 CIFC8 H6 Cd Cl2 N2C 1 2/m 115.1638; 3.8071; 8.2899
90; 103.338; 90
465.67Zhang, Ning-Ning; Zhang, Ya-Nan; Li, Li; Li, Zhen-Yu; Liu, Ya-Tong; Dong, Yunyun; Yan, Yong; Wang, Ming-Sheng
Photochromism and single-component white light emission from a metalloviologen complex based on 1,5-naphthyridine.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 6547-6555
7133456 CIFC9 H8 Cl2 O2P 1 21 18.7032; 4.8645; 11.7272
90; 110.291; 90
465.68He, Bin; Chen, Gen-Qiang; Zhang, Xumu
Highly efficient synthesis of enantioenriched vicinal halohydrins <i>via</i> Ir-catalyzed asymmetric hydrogenation using dynamic kinetic resolution.
Chemical communications (Cambridge, England), 2024, 60, 9785-9788
1570595 CIFAl22.43 Ru6.88 Si1.79P m -37.755; 7.755; 7.755
90; 90; 90
466.386Kitahara, Koichi; Takakura, Hiroyuki; Iwasaki, Yutaka; Kimura, Kaoru
Phase Equilibria in Aluminium–Ruthenium–Silicon System near 1200 Kelvin
Materials Transactions, 2024, 65, 18-26
1570436 CIFC2 H6 OP -14.3394; 8.414; 12.821
90.55; 93.89; 90.83
467Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin
Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure.
IUCrJ, 2024, 11, 57-61
7714856 CIFC10 H7 Cu N2 SP 1 21 15.8691; 7.3775; 11.0578
90; 102.454; 90
467.53Nishiyama, Tomoki; Kitoh-Nishioka, Hirotaka; Tanaka, Senku; Maekawa, Masahiko; Kuroda-Sowa, Takayoshi; Yoshida, Masaki; Kato, Masako; Okubo, Takashi
A copper(I) thiocyanate-based photoresponsive semiconducting 2D coordination polymer.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 1445-1448
7063251 CIFAg0.79 Ba Cu1.21 Se2P n m a9.9039; 4.2836; 11.0348
90; 90; 90
468.14Swati,; Yadav, Sweta; Shahid, Omair; Prakash, Jai
Syntheses of a series of BaCu2−xAgxSe2 (x = 0 – 1.0) selenides and evaluation of their thermoelectric properties
New Journal of Chemistry, 2024, 48, 11129-11139
7248632 CIFC3 H2 N2 O2 SP -13.68025; 9.5291; 13.5746
83.751; 87.678; 81.873
468.32Alfuth, Jan; Czapik, Agnieszka; Zadykowicz, Beata; Olszewska, Teresa
Hydrogen and chalcogen bonds in crystals of chalcogenadiazolecarboxylic acids – competition or cooperation?
CrystEngComm, 2024, 26, 2918-2927
1571113 CIFAl Co F5 H14 O7P -16.4434; 8.6691; 8.8031
104.019; 96.749; 95.254
470.08Seo, Jun Min; Jo, Hongil; Choi, Myung Ho; Ok, Kang Min; Chang, Hong Young; Kim, Sun Woo
Polymorphisms in M2+AlF5(H2O)7 (M2+ = Fe2+, Co2+, or Ni2+): Syntheses, Crystal Structures, and Characterization of New Mixed Metal Fluoride Hydrates
Crystals, 2024, 14, 197
7248934 CIFC7 H9 N7P -13.9161; 9.7152; 12.5718
84.813; 86.135; 83.993
472.92Wang, Pengfei; Liu, Lile; Sun, Zebang; Qin, Feng; Shi, Lei; Gao, Chao; Du, Yang; Zhang, Chong; Hu, Bingcheng; Sun, Chengguo
Constructing layered structure amidine-based pentazolate salts with low sensitivity
CrystEngComm, 2024, 26, 4114-4120
2312522 CIF
Paper
C3 H2 F6 O6 S2P 1 21 18.9822; 4.9413; 10.94
90; 102.406; 90
474.22Pickl, Thomas; Zuber, Julian; Stephan, Johannes; Pöthig, Alexander
Crystal structure elucidation of a geminal and vicinal bis(trifluoromethanesulfonate) ester.
Acta crystallographica. Section C, Structural chemistry, 2024, 80, 278-283
7159900 CIFC12 H8 N2 O2P 1 21 13.7817; 9.718; 12.9407
90; 92.15; 90
475.24Ohira, Kazuki; Kozuka, Kumpei; Kaneda, Naoki; Yamamoto, Masahiro; Imato, Keiichi; Ooyama, Yousuke
Photochromism of phenazine-2,3-diol derivatives through excited state intermolecular proton transfer based on keto-enol tautomerization.
Organic & biomolecular chemistry, 2024, 22, 4077-4088
1571112 CIFAl F5 Fe H14 O7P -16.4864; 8.719; 8.7917
103.834; 96.364; 95.4
476.05Seo, Jun Min; Jo, Hongil; Choi, Myung Ho; Ok, Kang Min; Chang, Hong Young; Kim, Sun Woo
Polymorphisms in M2+AlF5(H2O)7 (M2+ = Fe2+, Co2+, or Ni2+): Syntheses, Crystal Structures, and Characterization of New Mixed Metal Fluoride Hydrates
Crystals, 2024, 14, 197
7249000 CIFC10 H4 F4 N4P 1 21/c 15.0686; 5.1891; 18.59
90; 90.109; 90
488.94Loya, Jesus Daniel; Agarwal, Sidhaesh A.; Lutz, Nicholas; Reinheimer, Eric W.; Campillo-Alvarado, Gonzalo
Co-crystal formation vs. boron coordination: fluorination in azopyridines regulates supramolecular competition
CrystEngComm, 2024, 26, 4017-4021
1570836 CIFC6 H11 Cd Cl2 N3P 1 21/m 17.1135; 7.7569; 8.8801
90; 91.575; 90
489.81Xiao, Guowei; Ma, Yu-Juan; Qi, Zhenhong; Fang, Xiaoyu; Chen, Tianhong; Yan, Dongpeng
A flexible ligand and halogen engineering enable one phosphor-based full-color persistent luminescence in hybrid perovskitoids.
Chemical science, 2024, 15, 3625-3632
7160212 CIFC8 H8 N4 S2P 1 21/n 110.3127; 5.0803; 10.6479
90; 118.281; 90
491.27Cheruthu, Nusaiba Madappuram; Hashim, P. K.; Sahu, Saugata; Takahashi, Kiyonori; Nakamura, Takayoshi; Mitomo, Hideyuki; Ijiro, Kuniharu; Tamaoki, Nobuyuki
Azophotoswitches containing thiazole, isothiazole, thiadiazole, and isothiadiazole.
Organic & biomolecular chemistry, 2024, 23, 207-212
1571153 CIFC10 H6 Cl2 N2P 1 21/n 18.833; 4.114; 14.134
90; 106.095; 90
493.5Hüßler, Christopher; Dietl, Martin C.; Kahle, Justin; Lopes, Eric F.; Kawamura, Miku; Krämer, Petra; Rominger, Frank; Rudolph, Matthias; Hachiya, Iwao; Hashmi, A Stephen K
Synthesis and structural properties of <i>para</i>-diselenopyrazines.
Chemical communications (Cambridge, England), 2024, 60, 3786-3789
7062908 CIFC5 H7 N7 O6P 1 21/m 19.2737; 6.2094; 9.4529
90; 114.864; 90
493.88Shi, Haichuan; Wang, Yuqing; Wang, Xinyu; Zhang, Xiaotian; Huang, Ming; Yang, Haijun; Luo, Zhenghang
Concise synthesis of a fused energetic pyrazolotriazine with good performance
New Journal of Chemistry, 2024, 48, 1212-1216
7715072 CIFC6 H26 B20 S2P -16.928; 8.0128; 10.0978
79.295; 70.057; 70.854
496.07Riffle, Jared R.; Hemingway, Tyler M.; Smith, Mark D.; Peryshkov, Dmitry V.
Synthesis and cluster structure distortions of biscarborane dithiol, thioether, and disulfide.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 4444-4450
7248795 CIFC7 H15 N3 O5P 1 21 17.8012; 5.3813; 12.1746
90; 102.724; 90
498.55Toomey, Ryan; Wang, Luther; Heider, Emily C.; Hartman, Joshua D.; Nichols, Alexander J.; Myles, Dean A. A.; Gardberg, Anna S.; McIntyre, Garry J.; Zeller, Matthias; Mehta, Manish A.; Harper, James K.
NMR-guided refinement of crystal structures using 15N chemical shift tensors
CrystEngComm, 2024, 26, 3289-3302
2023161 CIF
Paper
C7 H14 N2 O3 SP 1 21 16.2517; 5.4935; 14.5686
90; 91.147; 90
500.24Babu, Sainath; Fronczek, Frank R.; Uppu, Rao M.; Claville, Michelle O.
Crystal structures of the isomeric dipeptides l-glycyl-l-me-thio-nine and l-me-thionyl-l-glycine.
Acta crystallographica. Section E, Crystallographic communications, 2024, 80, 725-728
2312566 CIF
Paper
C16 H19 I3 N2 O2P -17.3766; 8.8131; 9.3226
113.612; 103.144; 104.263
500.61Jaconelli, Harry S.; Kennedy, Alan R.
Salt forms of amides: protonation of acetanilide.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
2312415 CIF
Paper
C13 H11 N OP -15.7855; 7.3347; 12.424
106.519; 91.912; 92.326
504.5Safarova, Ayten S.; Khalilov, Ali N.; Akkurt, Mehmet; Maharramov, Abel M.; Bhattarai, Ajaya; Naghiyev, Farid N.; Mamedov, İbrahim G
Crystal structure and Hirshfeld surface analysis of (2<i>E</i>)-1-phenyl-3-(1<i>H</i>-pyrrol-2-yl)propen-1-one.
Acta crystallographica. Section E, Crystallographic communications, 2024, 80, 191-195
7248591 CIFC10 H12 N2 O4P 1 21/n 16.6549; 12.8056; 6.6575
90; 116.973; 90
505.64Mele, Francesco; Constantin, Ana Maria; Sacchelli, Filippo; Schiroli, Debora; Mazzeo, Paolo Pio; Maestri, Giovanni; Motti, Elena; Maggi, Raimondo; Mancuso, Raffaella; Gabriele, Bartolo; Pancrazzi, Francesco; Della Ca’, Nicola
Sequential Glaser reaction – diastereoselective cyclocarboxylation of propargylamines with CO2: a green catalytic access to bis-oxazolidinonedienes and their topochemical polymerization
Green Chemistry, 2024, 26, 6429-6435
7715562 CIFC12 H32 Cr N4 P4P -17.4075; 8.633; 8.9332
104.558; 105.008; 103.613
505.73Beasley, Charles H.; Duletski, Olivia L.; Stankevich, Ksenia S.; Arulsamy, Navamoney; Mock, Michael T.
Catalytic dinitrogen reduction to hydrazine and ammonia using Cr(N<sub>2</sub>)<sub>2</sub>(diphosphine)<sub>2</sub> complexes.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 6496-6500
2023286 CIF
Paper
C2 H7 N5 OP 1 21/c 13.8056; 9.49424; 14.01599
90; 92.9639; 90
505.738Inoue, Kazuki; Nakami, Shun; Kumasaki, Mieko; Matsumoto, Shinya
Synthesis and crystal structure of 1H-1,2,4-triazole-3,5-diamine monohydrate
Acta Crystallographica Section E Crystallographic Communications, 2024, 80, 1161-1164
7063529 CIFC10 H8 N4 O2P -15.9685; 9.2906; 9.6913
101.346; 99.374; 99.632
508.69Golubev, Artem A.; Simdianov, Ivan V.; Smetanin, Ilia A.; Agafonova, Anastasiya V.; Rostovskii, Nikolai V.; Khlebnikov, Alexander F.; Novikov, Mikhail S.
2-Azidoazirines suitable for click chemistry: synthesis of 1-(2H-azirin-2-yl)-1H-1,2,3-triazoles
New Journal of Chemistry, 2024, 48, 19957-19962
7132761 CIFC6 H10 Er N O8P 1 2/a 19.0471; 8.792; 6.4339
90; 96.131; 90
508.8Hitchings, Thomas J.; Scatena, Rebecca; Allan, David R.; Cairns, Andrew B.; Saines, Paul J.
Negative linear compressibility exhibited by the hybrid perovskite [(NH<sub>2</sub>)<sub>3</sub>C]Er(HCO<sub>2</sub>)<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>).
Chemical communications (Cambridge, England), 2024, 60, 3271-3274
1571673 CIF
Paper
C14 H22 Cl2 Cu N6 O6P -14.6536; 8.2542; 13.682
78.092; 82.801; 85.469
509.42Angel-Nieto, Ismael; Arroyo-Carmona, Rosa Elena; Pérez-Benítez, Aarón; Aguirre-Hernández, Gerardo; Bernès, Sylvain
trans-Dichloridobis(secnidazole-κN 3)copper(II)
IUCrData, 2024, 9
2023199 CIF
Paper
C21 H12 Br4 O4P -13.8875; 9.3118; 14.7772
104.228; 93.211; 98.219
510.87Weeks, Nathan J.; Lauer, Moira K.; Balaich, Gary J.; Iacono, Scott T.
Crystal and molecular structure of 2-methyl-1,4-phenylene bis(3,5-dibromobenzoate)
Acta Crystallographica Section E Crystallographic Communications, 2024, 80
7248781 CIFC2 H4 N6 OP m n a12.1399; 3.6287; 11.6102
90; 90; 90
511.45Balabanova, Sofya P.; Voronin, Alexey A.; Churakov, Alexandr M.; Klenov, Michael S.; Fedyanin, Ivan V.; Pivkina, Alla N.; Meerov, Dmitry B.; Kon'kova, Tatiana S.; Matyushin, Yurii N.; Strelenko, Yurii A.; Erokhin, Kirill S.; Zelenov, Victor P.; Tartakovsky, Vladimir A.
Insight into the structural and energetic features of substituted triazolofurazans
CrystEngComm, 2024, 26, 3349-3362
7133355 CIFC14 H8 B ClP 1 21 18.5508; 3.8729; 15.8451
90; 102.727; 90
511.84Zacharias, Harie; Begum, Ayesha; Han, Jianhua; Bartholome, Tyler A.; Marder, Todd B.; Martin, Caleb D.
Synthesis of phenanthrylboroles and formal nitrene insertion to access azaborapyrenes.
Chemical communications (Cambridge, England), 2024, 60, 8740-8743
1571420 CIFC5 H9 F3 Li N O3 SP -15.544; 9.2231; 10.2431
80.255; 83.499; 86.548
512.43Philippi, Frederik; Middendorf, Maleen; Shigenobu, Keisuke; Matsuyama, Yuna; Palumbo, Oriele; Pugh, David; Sudoh, Taku; Dokko, Kaoru; Watanabe, Masayoshi; Schönhoff, Monika; Shinoda, Wataru; Ueno, Kazuhide
Evolving better solvate electrolytes for lithium secondary batteries.
Chemical science, 2024, 15, 7342-7358
7716187 CIFC14 H7 Br O2P 1 21 17.7673; 3.9545; 16.7397
90; 94.654; 90
512.48Ogawa, Naoki; Suzuki, Nobuhiro; Katsura, Yoshifumi; Minoura, Mao; Nakanishi, Waro; Hayashi, Satoko
Extremely stable system of 1-haloselanyl-anthraquinones: experimental and theoretical investigations.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 10099-10112
2023184 CIF
Paper
C7 H6 Cl N3 O4 S2P 1 21 14.8296; 6.2703; 16.9551
90; 92.214; 90
513.069Brydson, Rowan K. H.; Kennedy, Alan R.
A monoclinic polymorph of chloro-thia-zide.
Acta crystallographica. Section E, Crystallographic communications, 2024, 80, 806-810
7248975 CIFC8 H10 N3 Ni O2P -16.3253; 9.2032; 10.202
64.48; 74.18; 78.74
513.6Nguepmeni Eloundou, Valoise Brenda; Kenfack Tsobnang, Patrice; Kamgaing, Theophile; Gogoi, Chiranjib; Lopez-Salas, Nieves; Bourne, Susan A.
Crystal engineering and sorption studies on CN- and dipyridyl-bridged 2D coordination polymers
CrystEngComm, 2024, 26, 4195-4204
7717496 CIFC2 N2 Pb S2C 1 2/c 19.6128; 6.5306; 8.1913
90; 92.734; 90
513.64Shlyaykher, Alena; Živković, Aleksandar; Günther, Hennes; Barba, Anna Lea; de Leeuw, Nora H.; Tambornino, Frank
Synthesis, XRD and DFT studies on Pb[ChCN]<sub>2</sub> (Ch = O, S, Se) and Pb[SeCN][OH].
Dalton transactions (Cambridge, England : 2003), 2024, 54, 74-88
7062972 CIFF3 K2 Nb O2P n a 217.6269; 11.8526; 5.70105
90; 90; 90
515.37Belokoneva, Elena L.; Stefanovich, Sergey Yu.; Volkov, Anatoly S.; Dimitrova, Olga V.; Mozgova, Alexandra
New nonlinear optical oxyfluoride K2NbO2F3 with strong pseudo-centrosymmetry, obtained by mild hydrothermal synthesis
New Journal of Chemistry, 2024, 48, 2569-2575
7249002 CIFC22 H9 B F8 N4 O2P -16.2144; 7.2948; 11.7785
81.392; 77.89; 85.14
515.4Loya, Jesus Daniel; Agarwal, Sidhaesh A.; Lutz, Nicholas; Reinheimer, Eric W.; Campillo-Alvarado, Gonzalo
Co-crystal formation vs. boron coordination: fluorination in azopyridines regulates supramolecular competition
CrystEngComm, 2024, 26, 4017-4021
7248976 CIFC18 H16 Cu N6 Ni O3P -15.9234; 9.5597; 10.2625
114.847; 96.831; 95.811
516.16Nguepmeni Eloundou, Valoise Brenda; Kenfack Tsobnang, Patrice; Kamgaing, Theophile; Gogoi, Chiranjib; Lopez-Salas, Nieves; Bourne, Susan A.
Crystal engineering and sorption studies on CN- and dipyridyl-bridged 2D coordination polymers
CrystEngComm, 2024, 26, 4195-4204
7132758 CIFC6 H10 Er N O8P 1 2/a 19.0759; 8.863; 6.4822
90; 96.228; 90
518.3Hitchings, Thomas J.; Scatena, Rebecca; Allan, David R.; Cairns, Andrew B.; Saines, Paul J.
Negative linear compressibility exhibited by the hybrid perovskite [(NH<sub>2</sub>)<sub>3</sub>C]Er(HCO<sub>2</sub>)<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>).
Chemical communications (Cambridge, England), 2024, 60, 3271-3274
7063384 CIFC10 H5 Eu O9P -16.327; 9.2759; 9.4488
88.275; 73.972; 76.714
518.39Sen, Charanjeet; Devi, Swaita; Niharika,; Bhagat, Nidhi; Sheikh, Haq Nawaz
A 3D photoluminescent Eu(iii)-MOF sensor supported by a tetracarboxylate ligand for the sensitive and selective detection of Cd2+ and o-nitrophenol
New Journal of Chemistry, 2024, 48, 15136-15148
7717200 CIFC6 H6 N8 O6P 1 21 18.4322; 6.1733; 10.2585
90; 103.42; 90
519.42Pandey, Krishna; Das, Priyanka; Khatri, Meera; Kumar, Dheeraj
<i>N</i>-Methylene-C-linked nitropyrazoles and 1,2,4-triazol-3-one: thermally stable energetic materials with reduced sensitivity.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 17179-17189
2023024 CIF
HKL
Paper
C6 H14 Br2 Cd N2 OP -17.1291; 7.1662; 11.0151
77.704; 80.079; 72.371
520.49Chidambaranathan, B.; Sivaraj, S.; Vijayamathubalan, P.; Abraham Rajasekar, S.; Selvakumar, S.
[4-(2-Aminoethyl)morpholine-κ<sup>2</sup><i>N</i>,<i>N</i>']di-bromidocadmium(II): synthesis, crystal structure and Hirshfeld surface analysis.
Acta crystallographica. Section E, Crystallographic communications, 2024, 80, 271-276
1570452 CIFC6 H14 OP 1 21/c 19.099; 3.9465; 14.649
90; 98.32; 90
520.5Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin
Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure.
IUCrJ, 2024, 11, 57-61
7132759 CIFC6 H10 Er N O8P 1 2/a 19.0907; 8.903; 6.5091
90; 96.38; 90
523.5Hitchings, Thomas J.; Scatena, Rebecca; Allan, David R.; Cairns, Andrew B.; Saines, Paul J.
Negative linear compressibility exhibited by the hybrid perovskite [(NH<sub>2</sub>)<sub>3</sub>C]Er(HCO<sub>2</sub>)<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>).
Chemical communications (Cambridge, England), 2024, 60, 3271-3274
7248931 CIFC H5 N7C 1 2/c 14.9752; 15.7038; 7.0385
90; 107.756; 90
523.72Wang, Pengfei; Liu, Lile; Sun, Zebang; Qin, Feng; Shi, Lei; Gao, Chao; Du, Yang; Zhang, Chong; Hu, Bingcheng; Sun, Chengguo
Constructing layered structure amidine-based pentazolate salts with low sensitivity
CrystEngComm, 2024, 26, 4114-4120
7248758 CIFC12 H24 Cl6 N4 O2 PdP -17.7207; 7.7941; 9.5977
81.799; 83.134; 66.739
523.91Bougossa, Sarra; Mhadhbi, Noureddine; Ben Ahmed, Ali; Hamdi, Mohamed; Elghniji, Kais; Erwann, Jeanneau; Hamden, Khaled; Oueslati, Abderrazek; Naïli, Houcine
Design of a new palladium(ii) halide complex as a bio-active material: synthesis, physico-chemical studies, DFT-computations and evaluation of anti-inflammatory, antioxidant and anti-gastric damage activities
RSC Advances, 2024, 14, 17413-17433
1570838 CIFC6 H11 Br2 Cd N3 O0P 1 21/m 17.2184; 8.1651; 8.9205
90; 90.782; 90
525.72Xiao, Guowei; Ma, Yu-Juan; Qi, Zhenhong; Fang, Xiaoyu; Chen, Tianhong; Yan, Dongpeng
A flexible ligand and halogen engineering enable one phosphor-based full-color persistent luminescence in hybrid perovskitoids.
Chemical science, 2024, 15, 3625-3632
1572820 CIFN O6 Sb TeP c a 217.6159; 8.6763; 7.9574
90; 90; 90
525.81Zhang, Bo; Hu, Chun-Li; Mao, Jiang-Gao; Kong, Fang
Fully tricoordinated assembly unveils a pioneering nonlinear optical crystal (SbTeO<sub>3</sub>)(NO<sub>3</sub>).
Chemical science, 2024, 15, 18549-18556
7132763 CIFC6 H10 Er N O8P 1 2/a 19.1025; 8.913; 6.5273
90; 96.442; 90
526.2Hitchings, Thomas J.; Scatena, Rebecca; Allan, David R.; Cairns, Andrew B.; Saines, Paul J.
Negative linear compressibility exhibited by the hybrid perovskite [(NH<sub>2</sub>)<sub>3</sub>C]Er(HCO<sub>2</sub>)<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>).
Chemical communications (Cambridge, England), 2024, 60, 3271-3274
7248033 CIFC4 H8 N12 O2P -16.5961; 7.3355; 11.576
97.689; 104.047; 99.886
526.2Tang, Mingjie; Yin, Zhaoyang; Zeng, Zhiwei; Dong, Yaqun; Huang, Wei; Liu, Yuji; Tang, Yongxing
A desirable coplanar energetic pentazolate salt driven by hydrogen bonds
CrystEngComm, 2024, 26, 748-752
7132475 CIFC5 H5 N9 O6P -15.1838; 9.1275; 12.3907
107.311; 99.537; 102.736
528.83Balaraju, Muntha; Kommu, Nagarjuna; Vangara, Srinivas; Sahoo, Aswini K.; Thaltiri, Vikranth; Sahoo, Akhila K.
Synthetic manifestation of trinitro-pyrazolo-2<i>H</i>-1,2,3-triazoles (TNPT) as insensitive energetic materials.
Chemical communications (Cambridge, England), 2024, 60, 827-830
7063549 CIFC2 H2 F13 O Sb2P -17.4703; 8.0314; 9.7471
94.096; 91.767; 114.341
530.28Hollenwäger, Dirk; Nitzer, Alexander; Leitz, Dominik; Kornath, Andreas J.
Structures and properties of the mono- and diprotonated species of acetylenedicarbonyl fluoride
New Journal of Chemistry, 2024, 48, 20140-20148
1571424 CIFC7 H9 Li N2 O3 SP -16.7137; 7.9569; 11.1702
98.12; 97.915; 113.035
531.3Philippi, Frederik; Middendorf, Maleen; Shigenobu, Keisuke; Matsuyama, Yuna; Palumbo, Oriele; Pugh, David; Sudoh, Taku; Dokko, Kaoru; Watanabe, Masayoshi; Schönhoff, Monika; Shinoda, Wataru; Ueno, Kazuhide
Evolving better solvate electrolytes for lithium secondary batteries.
Chemical science, 2024, 15, 7342-7358
7248998 CIFC10 F8 N4P 1 21/c 15.8251; 15.5339; 5.9792
90; 100.851; 90
531.36Loya, Jesus Daniel; Agarwal, Sidhaesh A.; Lutz, Nicholas; Reinheimer, Eric W.; Campillo-Alvarado, Gonzalo
Co-crystal formation vs. boron coordination: fluorination in azopyridines regulates supramolecular competition
CrystEngComm, 2024, 26, 4017-4021
7132462 CIFC9 H15 F3 O3P 6311.4469; 11.4469; 4.7028
90; 90; 120
533.66Haridas, Shyamkumar V.; von Delius, Max
Synthesis and supramolecular properties of all-<i>cis</i>-2,4,6-trifluorocyclohexane-1,3,5-triol.
Chemical communications (Cambridge, England), 2024, 60, 606-609
2023077 CIF
Paper
C22 H18 N2 O12P -15.9454; 7.9543; 12.0673
72.124; 79.661; 86.052
534.25Businski, Artjom; Ta, Thuy C.; Gindullis, Niklas; Näther, Christian; Herges, Rainer
Synthesis and crystal structure of tetra-methyl (<i>E</i>)-4,4'-(ethene-1,2-di-yl)bis-(5-nitro-benzene-1,2-di-carboxyl-ate).
Acta crystallographica. Section E, Crystallographic communications, 2024, 80, 435-438
7715067 CIFC17 H16 Ag3 Fe N9P -17.4219; 8.2617; 9.2067
102.679; 98.698; 98.525
534.71Sirenko, Valerii Y.; Kucheriv, Olesia I.; Shova, Sergiu; Shylin, Sergii I.; Ksenofontov, Vadim; Fritsky, Igor O.; Tremel, Wolfgang; Gural'skiy, Il'ya A.
Nature of cyanoargentate bridges defining spin crossover in new 2D Hofmann clathrate analogues.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 4251-4259

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