Crystallography Open Database
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Searching journal of publication like 'Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials' volume of publication is 81
| COD ID: 2023425 | |
| CIF file | Formula: - Ca H2 O6 Sn2 - Comments: Bogdan, Tatiana V.; Ivakin, Yurii D.; Chernyshev, Vladimir V.; Mashchenko, Nikolay V.; Koklin, Aleksey E.; Tararushkin, Evgeny V.; Fedoseev, Timofei V.; Skiba, Mariia A.; Bogdan, Viktor I. A new crystal phase of calcium stannate CaSn2O4(OH)2 and its physico-chemical properties Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials 81(2) (2025) Space group: A e a 2 Cell volume: 481.61 Cell parameters: 5.8502; 15.1396; 5.4376; 90; 90; 90; |
| COD ID: 2023426 | |
| CIF file | Formula: - Ga5.1 Ge0.9 Mn0.72 Sm2 - Comments: Khalaniya, Roman A.; Mironov, Andrei V.; Kulchu, Aleksandr; Khrykina, Olga; Shevelkov, Andrei V. Disorder- and magnetism-driven structural changes in Sm<sub>2</sub>Mn<sub>1-x</sub>Ga<sub>6-y</sub>Ge<sub>y</sub>. Acta crystallographica Section B, Structural science, crystal engineering and materials 81(2) (2025) 235-243 Space group: F m -3 m Cell volume: 664.041 Cell parameters: 8.72432; 8.72432; 8.72432; 90; 90; 90; |
| COD ID: 2023427 | |
| CIF file | Formula: - Ga5.1 Ge0.9 Mn0.72 Sm2 - Comments: Khalaniya, Roman A.; Mironov, Andrei V.; Kulchu, Aleksandr; Khrykina, Olga; Shevelkov, Andrei V. Disorder- and magnetism-driven structural changes in Sm<sub>2</sub>Mn<sub>1-x</sub>Ga<sub>6-y</sub>Ge<sub>y</sub>. Acta crystallographica Section B, Structural science, crystal engineering and materials 81(2) (2025) 235-243 Space group: F m -3 m Cell volume: 664.712 Cell parameters: 8.72726; 8.72726; 8.72726; 90; 90; 90; |
| COD ID: 2023428 | |
| CIF file | Formula: - Ga5.1 Ge0.9 Mn0.72 Sm2 - Comments: Khalaniya, Roman A.; Mironov, Andrei V.; Kulchu, Aleksandr; Khrykina, Olga; Shevelkov, Andrei V. Disorder- and magnetism-driven structural changes in Sm<sub>2</sub>Mn<sub>1-x</sub>Ga<sub>6-y</sub>Ge<sub>y</sub>. Acta crystallographica Section B, Structural science, crystal engineering and materials 81(2) (2025) 235-243 Space group: F m -3 m Cell volume: 665.284 Cell parameters: 8.72976; 8.72976; 8.72976; 90; 90; 90; |
| COD ID: 2023429 | |
| CIF file | Formula: - Ga5.1 Ge0.9 Mn0.72 Sm2 - Comments: Khalaniya, Roman A.; Mironov, Andrei V.; Kulchu, Aleksandr; Khrykina, Olga; Shevelkov, Andrei V. Disorder- and magnetism-driven structural changes in Sm<sub>2</sub>Mn<sub>1-x</sub>Ga<sub>6-y</sub>Ge<sub>y</sub>. Acta crystallographica Section B, Structural science, crystal engineering and materials 81(2) (2025) 235-243 Space group: F m -3 m Cell volume: 665.869 Cell parameters: 8.73232; 8.73232; 8.73232; 90; 90; 90; |
| COD ID: 2023430 | |
| CIF file | Formula: - Ga5.1 Ge0.9 Mn0.72 Sm2 - Comments: Khalaniya, Roman A.; Mironov, Andrei V.; Kulchu, Aleksandr; Khrykina, Olga; Shevelkov, Andrei V. Disorder- and magnetism-driven structural changes in Sm<sub>2</sub>Mn<sub>1-x</sub>Ga<sub>6-y</sub>Ge<sub>y</sub>. Acta crystallographica Section B, Structural science, crystal engineering and materials 81(2) (2025) 235-243 Space group: F m -3 m Cell volume: 666.771 Cell parameters: 8.73626; 8.73626; 8.73626; 90; 90; 90; |
| COD ID: 2023431 | |
| CIF file | Formula: - Ga5.1 Ge0.9 Mn0.72 Sm2 - Comments: Khalaniya, Roman A.; Mironov, Andrei V.; Kulchu, Aleksandr; Khrykina, Olga; Shevelkov, Andrei V. Disorder- and magnetism-driven structural changes in Sm<sub>2</sub>Mn<sub>1-x</sub>Ga<sub>6-y</sub>Ge<sub>y</sub>. Acta crystallographica Section B, Structural science, crystal engineering and materials 81(2) (2025) 235-243 Space group: F m -3 m Cell volume: 667.048 Cell parameters: 8.73747; 8.73747; 8.73747; 90; 90; 90; |
| COD ID: 2023432 | |
| CIF file | Formula: - Ga5.1 Ge0.9 Mn0.72 Sm2 - Comments: Khalaniya, Roman A.; Mironov, Andrei V.; Kulchu, Aleksandr; Khrykina, Olga; Shevelkov, Andrei V. Disorder- and magnetism-driven structural changes in Sm<sub>2</sub>Mn<sub>1-x</sub>Ga<sub>6-y</sub>Ge<sub>y</sub>. Acta crystallographica Section B, Structural science, crystal engineering and materials 81(2) (2025) 235-243 Space group: F m -3 m Cell volume: 666.826 Cell parameters: 8.7365; 8.7365; 8.7365; 90; 90; 90; |
| COD ID: 2023433 | |
| CIF file | Formula: - Ga5.1 Ge0.9 Mn0.72 Sm2 - Comments: Khalaniya, Roman A.; Mironov, Andrei V.; Kulchu, Aleksandr; Khrykina, Olga; Shevelkov, Andrei V. Disorder- and magnetism-driven structural changes in Sm<sub>2</sub>Mn<sub>1-x</sub>Ga<sub>6-y</sub>Ge<sub>y</sub>. Acta crystallographica Section B, Structural science, crystal engineering and materials 81(2) (2025) 235-243 Space group: F m -3 m Cell volume: 667.435 Cell parameters: 8.73916; 8.73916; 8.73916; 90; 90; 90; |
| COD ID: 2023434 | |
| CIF file | Formula: - Ga5.1 Ge0.9 Mn0.72 Sm2 - Comments: Khalaniya, Roman A.; Mironov, Andrei V.; Kulchu, Aleksandr; Khrykina, Olga; Shevelkov, Andrei V. Disorder- and magnetism-driven structural changes in Sm<sub>2</sub>Mn<sub>1-x</sub>Ga<sub>6-y</sub>Ge<sub>y</sub>. Acta crystallographica Section B, Structural science, crystal engineering and materials 81(2) (2025) 235-243 Space group: F m -3 m Cell volume: 667.96 Cell parameters: 8.74145; 8.74145; 8.74145; 90; 90; 90; |
| COD ID: 2023435 | |
| CIF file | Formula: - Ga5.1 Ge0.9 Mn0.72 Sm2 - Comments: Khalaniya, Roman A.; Mironov, Andrei V.; Kulchu, Aleksandr; Khrykina, Olga; Shevelkov, Andrei V. Disorder- and magnetism-driven structural changes in Sm<sub>2</sub>Mn<sub>1-x</sub>Ga<sub>6-y</sub>Ge<sub>y</sub>. Acta crystallographica Section B, Structural science, crystal engineering and materials 81(2) (2025) 235-243 Space group: F m -3 m Cell volume: 667.706 Cell parameters: 8.74034; 8.74034; 8.74034; 90; 90; 90; |
| COD ID: 2023436 | |
| CIF file | Formula: - Ga5.1 Ge0.9 Mn0.72 Sm2 - Comments: Khalaniya, Roman A.; Mironov, Andrei V.; Kulchu, Aleksandr; Khrykina, Olga; Shevelkov, Andrei V. Disorder- and magnetism-driven structural changes in Sm<sub>2</sub>Mn<sub>1-x</sub>Ga<sub>6-y</sub>Ge<sub>y</sub>. Acta crystallographica Section B, Structural science, crystal engineering and materials 81(2) (2025) 235-243 Space group: F m -3 m Cell volume: 667.884 Cell parameters: 8.74112; 8.74112; 8.74112; 90; 90; 90; |
| COD ID: 2023437 | |
| CIF file | Formula: - Ga5.1 Ge0.9 Mn0.72 Sm2 - Comments: Khalaniya, Roman A.; Mironov, Andrei V.; Kulchu, Aleksandr; Khrykina, Olga; Shevelkov, Andrei V. Disorder- and magnetism-driven structural changes in Sm<sub>2</sub>Mn<sub>1-x</sub>Ga<sub>6-y</sub>Ge<sub>y</sub>. Acta crystallographica Section B, Structural science, crystal engineering and materials 81(2) (2025) 235-243 Space group: F m -3 m Cell volume: 668.462 Cell parameters: 8.74364; 8.74364; 8.74364; 90; 90; 90; |
| COD ID: 2023438 | |
| CIF file | Formula: - Ga5.1 Ge0.9 Mn0.72 Sm2 - Comments: Khalaniya, Roman A.; Mironov, Andrei V.; Kulchu, Aleksandr; Khrykina, Olga; Shevelkov, Andrei V. Disorder- and magnetism-driven structural changes in Sm<sub>2</sub>Mn<sub>1-x</sub>Ga<sub>6-y</sub>Ge<sub>y</sub>. Acta crystallographica Section B, Structural science, crystal engineering and materials 81(2) (2025) 235-243 Space group: F m -3 m Cell volume: 668.221 Cell parameters: 8.74259; 8.74259; 8.74259; 90; 90; 90; |
| COD ID: 2023439 | |
| CIF file | Formula: - Ga5.1 Ge0.9 Mn0.72 Sm2 - Comments: Khalaniya, Roman A.; Mironov, Andrei V.; Kulchu, Aleksandr; Khrykina, Olga; Shevelkov, Andrei V. Disorder- and magnetism-driven structural changes in Sm<sub>2</sub>Mn<sub>1-x</sub>Ga<sub>6-y</sub>Ge<sub>y</sub>. Acta crystallographica Section B, Structural science, crystal engineering and materials 81(2) (2025) 235-243 Space group: F m -3 m Cell volume: 668.529 Cell parameters: 8.74393; 8.74393; 8.74393; 90; 90; 90; |
| COD ID: 2023440 | |
| CIF file | Formula: - Ga5.1 Ge0.9 Mn0.72 Sm2 - Comments: Khalaniya, Roman A.; Mironov, Andrei V.; Kulchu, Aleksandr; Khrykina, Olga; Shevelkov, Andrei V. Disorder- and magnetism-driven structural changes in Sm<sub>2</sub>Mn<sub>1-x</sub>Ga<sub>6-y</sub>Ge<sub>y</sub>. Acta crystallographica Section B, Structural science, crystal engineering and materials 81(2) (2025) 235-243 Space group: F m -3 m Cell volume: 669.114 Cell parameters: 8.74648; 8.74648; 8.74648; 90; 90; 90; |
| COD ID: 2023441 | |
| CIF file | Formula: - Ga5.1 Ge0.9 Mn0.72 Sm2 - Comments: Khalaniya, Roman A.; Mironov, Andrei V.; Kulchu, Aleksandr; Khrykina, Olga; Shevelkov, Andrei V. Disorder- and magnetism-driven structural changes in Sm<sub>2</sub>Mn<sub>1-x</sub>Ga<sub>6-y</sub>Ge<sub>y</sub>. Acta crystallographica Section B, Structural science, crystal engineering and materials 81(2) (2025) 235-243 Space group: F m -3 m Cell volume: 669.616 Cell parameters: 8.74867; 8.74867; 8.74867; 90; 90; 90; |
| COD ID: 2023442 | |
| CIF file | Formula: - Ga5.1 Ge0.9 Mn0.72 Sm2 - Comments: Khalaniya, Roman A.; Mironov, Andrei V.; Kulchu, Aleksandr; Khrykina, Olga; Shevelkov, Andrei V. Disorder- and magnetism-driven structural changes in Sm<sub>2</sub>Mn<sub>1-x</sub>Ga<sub>6-y</sub>Ge<sub>y</sub>. Acta crystallographica Section B, Structural science, crystal engineering and materials 81(2) (2025) 235-243 Space group: F m -3 m Cell volume: 670.409 Cell parameters: 8.75212; 8.75212; 8.75212; 90; 90; 90; |
| COD ID: 2023443 | |
| CIF file | Formula: - Ga5.1 Ge0.9 Mn0.72 Sm2 - Comments: Khalaniya, Roman A.; Mironov, Andrei V.; Kulchu, Aleksandr; Khrykina, Olga; Shevelkov, Andrei V. Disorder- and magnetism-driven structural changes in Sm<sub>2</sub>Mn<sub>1-x</sub>Ga<sub>6-y</sub>Ge<sub>y</sub>. Acta crystallographica Section B, Structural science, crystal engineering and materials 81(2) (2025) 235-243 Space group: F m -3 m Cell volume: 670.958 Cell parameters: 8.75451; 8.75451; 8.75451; 90; 90; 90; |
| COD ID: 2312737 | |
| CIF file | Formula: - Ca0.31 Mn0.14 Na5 O12 P3 Zn1.55 - Comments: Yakubovich, Olga V.; Kiriukhina, Galina V.; Volkov, Anatoly S.; Dimitrova, Olga V. A rare case of Na/Zn isomorphism in the crystal structure of acentric zincophosphate Na<sub>5</sub>Zn[Zn(PO<sub>4</sub>)<sub>3</sub>]. Acta crystallographica Section B, Structural science, crystal engineering and materials 81(1) (2025) Space group: P n a 21 Cell volume: 1101.99 Cell parameters: 12.9901; 16.2647; 5.2158; 90; 90; 90; |
| COD ID: 2312749 | |
| CIF file | Formula: - Fe0.13 Li0.13 Mg0.73 O3 Si - Comments: Ballirano, Paolo; Celata, Beatrice; Pacella, Alessandro; Bloise, Andrea; Bosi, Ferdinando Crystal structure and doping in synthetic enstatite: an analysis of Li/Fe<sup>3+</sup>-doped single-crystal samples. Acta crystallographica Section B, Structural science, crystal engineering and materials 81(1) (2025) Space group: P b c a Cell volume: 828.32 Cell parameters: 18.1735; 8.77666; 5.19316; 90; 90; 90; |
| COD ID: 2312750 | |
| CIF file | Formula: - Fe0.14 Li0.14 Mg0.71 O3 Si - Comments: Ballirano, Paolo; Celata, Beatrice; Pacella, Alessandro; Bloise, Andrea; Bosi, Ferdinando Crystal structure and doping in synthetic enstatite: an analysis of Li/Fe<sup>3+</sup>-doped single-crystal samples. Acta crystallographica Section B, Structural science, crystal engineering and materials 81(1) (2025) Space group: P b c a Cell volume: 828.03 Cell parameters: 18.1654; 8.773; 5.1958; 90; 90; 90; |
| COD ID: 2312751 | |
| CIF file | Formula: - Fe0.16 Li0.16 Mg0.69 O3 Si - Comments: Ballirano, Paolo; Celata, Beatrice; Pacella, Alessandro; Bloise, Andrea; Bosi, Ferdinando Crystal structure and doping in synthetic enstatite: an analysis of Li/Fe<sup>3+</sup>-doped single-crystal samples. Acta crystallographica Section B, Structural science, crystal engineering and materials 81(1) (2025) Space group: P b c a Cell volume: 828.64 Cell parameters: 18.1718; 8.7706; 5.1992; 90; 90; 90; |
| COD ID: 2312752 | |
| CIF file | Formula: - Fe0.08 Li0.08 Mg0.84 O3 Si - Comments: Ballirano, Paolo; Celata, Beatrice; Pacella, Alessandro; Bloise, Andrea; Bosi, Ferdinando Crystal structure and doping in synthetic enstatite: an analysis of Li/Fe<sup>3+</sup>-doped single-crystal samples. Acta crystallographica Section B, Structural science, crystal engineering and materials 81(1) (2025) Space group: P b c n Cell volume: 426.336 Cell parameters: 9.2232; 8.704; 5.3107; 90; 90; 90; |
| COD ID: 2312753 | |
| CIF file | Formula: - Fe0.08 Li0.08 Mg0.84 O3 Si - Comments: Ballirano, Paolo; Celata, Beatrice; Pacella, Alessandro; Bloise, Andrea; Bosi, Ferdinando Crystal structure and doping in synthetic enstatite: an analysis of Li/Fe<sup>3+</sup>-doped single-crystal samples. Acta crystallographica Section B, Structural science, crystal engineering and materials 81(1) (2025) Space group: P b c n Cell volume: 426.493 Cell parameters: 9.2255; 8.7052; 5.3106; 90; 90; 90; |
| COD ID: 2312765 | |
| CIF file | Formula: - C12 H8 Cl5 N O - Comments: Chalupná, Simona; Hušák, Michal; Čejka, Jan; Fňukal, František; Klimeš, Jiří Computation screening for incorrectly determined cocrystal structures. Acta crystallographica Section B, Structural science, crystal engineering and materials 81(2) (2025) 208-216 Space group: P -1 Cell volume: 704.33 Cell parameters: 7.3317; 8.9118; 11.8169; 69.929; 84.854; 76.227; |
| COD ID: 2312766 | |
| CIF file | Formula: - C18 H16 N2 O8 - Comments: Chalupná, Simona; Hušák, Michal; Čejka, Jan; Fňukal, František; Klimeš, Jiří Computation screening for incorrectly determined cocrystal structures. Acta crystallographica Section B, Structural science, crystal engineering and materials 81(2) (2025) 208-216 Space group: C 1 2/c 1 Cell volume: 1667.5 Cell parameters: 23.9983; 6.7578; 11.4431; 90; 116.034; 90; |
| COD ID: 2312767 | |
| CIF file | Formula: - C15 H16 N4 O5 - Comments: Chalupná, Simona; Hušák, Michal; Čejka, Jan; Fňukal, František; Klimeš, Jiří Computation screening for incorrectly determined cocrystal structures. Acta crystallographica Section B, Structural science, crystal engineering and materials 81(2) (2025) 208-216 Space group: C 1 2/c 1 Cell volume: 3055.7 Cell parameters: 37.809; 5.2412; 16.254; 90; 108.433; 90; |
| COD ID: 2312768 | |
| CIF file | Formula: - C12 H11 Cl2 N3 O3 - Comments: Chalupná, Simona; Hušák, Michal; Čejka, Jan; Fňukal, František; Klimeš, Jiří Computation screening for incorrectly determined cocrystal structures. Acta crystallographica Section B, Structural science, crystal engineering and materials 81(2) (2025) 208-216 Space group: P -1 Cell volume: 657.73 Cell parameters: 6.3868; 6.9694; 15.2424; 92.0313; 93.0261; 103.601; |
| COD ID: 2312769 | |
| CIF file | Formula: - C20 H30 N8 O4 - Comments: Chalupná, Simona; Hušák, Michal; Čejka, Jan; Fňukal, František; Klimeš, Jiří Computation screening for incorrectly determined cocrystal structures. Acta crystallographica Section B, Structural science, crystal engineering and materials 81(2) (2025) 208-216 Space group: P 21 21 21 Cell volume: 2078.44 Cell parameters: 6.9874; 13.8458; 21.4834; 90; 90; 90; |
| COD ID: 2312770 | |
| CIF file | Formula: - C22 H16 N6 O10 - Comments: Chalupná, Simona; Hušák, Michal; Čejka, Jan; Fňukal, František; Klimeš, Jiří Computation screening for incorrectly determined cocrystal structures. Acta crystallographica Section B, Structural science, crystal engineering and materials 81(2) (2025) 208-216 Space group: P b c n Cell volume: 2301.1 Cell parameters: 14.9666; 7.0415; 21.835; 90; 90; 90; |
| COD ID: 2312771 | |
| CIF file | Formula: - C34 H22 N4 O8 - Comments: Chalupná, Simona; Hušák, Michal; Čejka, Jan; Fňukal, František; Klimeš, Jiří Computation screening for incorrectly determined cocrystal structures. Acta crystallographica Section B, Structural science, crystal engineering and materials 81(2) (2025) 208-216 Space group: P -1 Cell volume: 663.22 Cell parameters: 7.0595; 7.2153; 13.9211; 91.067; 102.473; 106; |
| COD ID: 2312772 | |
| CIF file | Formula: - C29 H26 N2 O10 - Comments: Chalupná, Simona; Hušák, Michal; Čejka, Jan; Fňukal, František; Klimeš, Jiří Computation screening for incorrectly determined cocrystal structures. Acta crystallographica Section B, Structural science, crystal engineering and materials 81(2) (2025) 208-216 Space group: C 1 2/c 1 Cell volume: 2632.7 Cell parameters: 22.9392; 4.7809; 24.1632; 90; 96.542; 90; |
| COD ID: 2312773 | |
| CIF file | Formula: - C32 H30 N2 O4 - Comments: Chalupná, Simona; Hušák, Michal; Čejka, Jan; Fňukal, František; Klimeš, Jiří Computation screening for incorrectly determined cocrystal structures. Acta crystallographica Section B, Structural science, crystal engineering and materials 81(2) (2025) 208-216 Space group: C 1 c 1 Cell volume: 2653.38 Cell parameters: 21.952; 7.3477; 17; 90; 104.61; 90; |
| COD ID: 2312792 | |
| CIF file | Formula: - C15 H9 F3 N2 O - Comments: Mandal, Koushik; Chopra, Deepak Quantitative crystal structure analysis in trifluoromethyl- and cyano-substituted N-phenylbenzamides. Acta crystallographica Section B, Structural science, crystal engineering and materials 81(2) (2025) 266-282 Space group: P -1 Cell volume: 1290.48 Cell parameters: 8.0695; 8.9083; 19.4438; 95.82; 96.025; 110.173; |
| COD ID: 2312793 | |
| CIF file | Formula: - C15 H9 F3 N2 O - Comments: Mandal, Koushik; Chopra, Deepak Quantitative crystal structure analysis in trifluoromethyl- and cyano-substituted N-phenylbenzamides. Acta crystallographica Section B, Structural science, crystal engineering and materials 81(2) (2025) 266-282 Space group: P 1 21/n 1 Cell volume: 1261.87 Cell parameters: 4.7186; 9.5567; 28.036; 90; 93.525; 90; |
| COD ID: 2312794 | |
| CIF file | Formula: - C15 H9 F3 N2 O - Comments: Mandal, Koushik; Chopra, Deepak Quantitative crystal structure analysis in trifluoromethyl- and cyano-substituted N-phenylbenzamides. Acta crystallographica Section B, Structural science, crystal engineering and materials 81(2) (2025) 266-282 Space group: P 1 21/c 1 Cell volume: 2702 Cell parameters: 18.77; 19.92; 7.226; 90; 90.72; 90; |
| COD ID: 2312795 | |
| CIF file | Formula: - C15 H9 F3 N2 O - Comments: Mandal, Koushik; Chopra, Deepak Quantitative crystal structure analysis in trifluoromethyl- and cyano-substituted N-phenylbenzamides. Acta crystallographica Section B, Structural science, crystal engineering and materials 81(2) (2025) 266-282 Space group: P -1 Cell volume: 1329.7 Cell parameters: 9.5134; 11.4082; 12.2991; 91.435; 90.336; 94.786; |
| COD ID: 2312796 | |
| CIF file | Formula: - C15 H9 F3 N2 O - Comments: Mandal, Koushik; Chopra, Deepak Quantitative crystal structure analysis in trifluoromethyl- and cyano-substituted N-phenylbenzamides. Acta crystallographica Section B, Structural science, crystal engineering and materials 81(2) (2025) 266-282 Space group: P 1 21/c 1 Cell volume: 1327.2 Cell parameters: 7.746; 19.804; 9.126; 90; 108.55; 90; |
| COD ID: 2312797 | |
| CIF file | Formula: - C15 H9 F3 N2 O - Comments: Mandal, Koushik; Chopra, Deepak Quantitative crystal structure analysis in trifluoromethyl- and cyano-substituted N-phenylbenzamides. Acta crystallographica Section B, Structural science, crystal engineering and materials 81(2) (2025) 266-282 Space group: P 1 21/c 1 Cell volume: 1280.3 Cell parameters: 4.934; 18.064; 14.446; 90; 96.061; 90; |
| COD ID: 2312798 | |
| CIF file | Formula: - C15 H9 F3 N2 O - Comments: Mandal, Koushik; Chopra, Deepak Quantitative crystal structure analysis in trifluoromethyl- and cyano-substituted N-phenylbenzamides. Acta crystallographica Section B, Structural science, crystal engineering and materials 81(2) (2025) 266-282 Space group: P 1 21/n 1 Cell volume: 1274.3 Cell parameters: 4.9872; 34.236; 7.7939; 90; 106.747; 90; |
| COD ID: 2312799 | |
| CIF file | Formula: - C15 H9 F3 N2 O - Comments: Mandal, Koushik; Chopra, Deepak Quantitative crystal structure analysis in trifluoromethyl- and cyano-substituted N-phenylbenzamides. Acta crystallographica Section B, Structural science, crystal engineering and materials 81(2) (2025) 266-282 Space group: P -1 Cell volume: 1917.68 Cell parameters: 11.0877; 13.1614; 14.1078; 77.631; 74.266; 79.294; |
| COD ID: 2312800 | |
| CIF file | Formula: - C15 H9 F3 N2 O - Comments: Mandal, Koushik; Chopra, Deepak Quantitative crystal structure analysis in trifluoromethyl- and cyano-substituted N-phenylbenzamides. Acta crystallographica Section B, Structural science, crystal engineering and materials 81(2) (2025) 266-282 Space group: P 1 21/c 1 Cell volume: 1273.99 Cell parameters: 11.7628; 12.5764; 8.6239; 90; 93.019; 90; |
| COD ID: 2312801 | |
| CIF file | Formula: - C15 H9 F3 N2 O - Comments: Mandal, Koushik; Chopra, Deepak Quantitative crystal structure analysis in trifluoromethyl- and cyano-substituted N-phenylbenzamides. Acta crystallographica Section B, Structural science, crystal engineering and materials 81(2) (2025) 266-282 Space group: P 1 21/n 1 Cell volume: 2644.1 Cell parameters: 10.804; 13.3892; 18.8504; 90; 104.148; 90; |
| COD ID: 2312812 | |
| CIF file | Formula: - Ca Cs4 O19 Si8 - Comments: Kahlenberg, Volker Cs<sub>4</sub>Ca[Si<sub>8</sub>O<sub>19</sub>]: a new mixed tetrahedral-octahedral oxosilicate, its topological features and comparison with other interrupted framework silicates. Acta crystallographica Section B, Structural science, crystal engineering and materials 81(3) (2025) Space group: P 1 21/n 1 Cell volume: 1074.47 Cell parameters: 7.167; 12.0884; 12.4019; 90; 90.044; 90; |
| COD ID: 2312834 | |
| CIF file | Formula: - C8 H14 Fe O12 - Comments: Ferreira Guimarães, Hellen; Lages Rodrigues, Bernardo Multipolar model and Hirshfeld atom refinement of tetraaquabis(hydrogenmaleato)iron(II). Acta crystallographica Section B, Structural science, crystal engineering and materials 81(3) (2025) Space group: P -1 Cell volume: 318.455 Cell parameters: 5.2066; 7.3264; 9.2475; 108.907; 105.498; 92.31; |
| COD ID: 2312835 | |
| CIF file | Formula: - C8 H14 Fe O12 - Comments: Ferreira Guimarães, Hellen; Lages Rodrigues, Bernardo Multipolar model and Hirshfeld atom refinement of tetraaquabis(hydrogenmaleato)iron(II). Acta crystallographica Section B, Structural science, crystal engineering and materials 81(3) (2025) Space group: P -1 Cell volume: 318.455 Cell parameters: 5.2066; 7.3264; 9.2475; 108.907; 105.498; 92.31; |
| COD ID: 2312836 | |
| CIF file | Formula: - C4 H7 Fe0.5 O6 - Comments: Ferreira Guimarães, Hellen; Lages Rodrigues, Bernardo Multipolar model and Hirshfeld atom refinement of tetraaquabis(hydrogenmaleato)iron(II). Acta crystallographica Section B, Structural science, crystal engineering and materials 81(3) (2025) Space group: P -1 Cell volume: 318.455 Cell parameters: 5.2066; 7.3264; 9.2475; 108.907; 105.498; 92.31; |
| COD ID: 2312837 | |
| CIF file | Formula: - C4 H7 Fe0.5 O6 - Comments: Ferreira Guimarães, Hellen; Lages Rodrigues, Bernardo Multipolar model and Hirshfeld atom refinement of tetraaquabis(hydrogenmaleato)iron(II). Acta crystallographica Section B, Structural science, crystal engineering and materials 81(3) (2025) Space group: P -1 Cell volume: 318.455 Cell parameters: 5.2066; 7.3264; 9.2475; 108.907; 105.498; 92.31; |
| COD ID: 2312838 | |
| CIF file | Formula: - C8 H14 Fe O12 - Comments: Ferreira Guimarães, Hellen; Lages Rodrigues, Bernardo Multipolar model and Hirshfeld atom refinement of tetraaquabis(hydrogenmaleato)iron(II). Acta crystallographica Section B, Structural science, crystal engineering and materials 81(3) (2025) Space group: P -1 Cell volume: 318.38 Cell parameters: 5.20542; 7.32708; 9.24798; 108.873; 105.572; 92.2943; |
| COD ID: 2312855 | |
| CIF file | Formula: - C4 H16 Cl4 Mn N2 - Comments: Jakhi, Shatakshi S.; Dhanetwal, Meenal; Reddy, V. Raghavendra; Hathwar, Venkatesha R. Effect of the transition metal on the structure and order-disorder phase transition in layered hybrid metal halides (CH<sub>3</sub>CH<sub>2</sub>NH<sub>3</sub>)<sub>2</sub>[MCl<sub>4</sub>] (M = Mn and Co). Acta crystallographica Section B, Structural science, crystal engineering and materials 81(3) (2025) Space group: I 4/m m m Cell volume: 592.13 Cell parameters: 5.1748; 5.1748; 22.112; 90; 90; 90; |
| COD ID: 2312856 | |
| CIF file | Formula: - C4 H16 Cl4 Mn N2 - Comments: Jakhi, Shatakshi S.; Dhanetwal, Meenal; Reddy, V. Raghavendra; Hathwar, Venkatesha R. Effect of the transition metal on the structure and order-disorder phase transition in layered hybrid metal halides (CH<sub>3</sub>CH<sub>2</sub>NH<sub>3</sub>)<sub>2</sub>[MCl<sub>4</sub>] (M = Mn and Co). Acta crystallographica Section B, Structural science, crystal engineering and materials 81(3) (2025) Space group: P b c a Cell volume: 1158.44 Cell parameters: 7.3088; 7.1675; 22.1136; 90; 90; 90; |
| COD ID: 2312857 | |
| CIF file | Formula: - C4 H16 Cl4 Co N2 - Comments: Jakhi, Shatakshi S.; Dhanetwal, Meenal; Reddy, V. Raghavendra; Hathwar, Venkatesha R. Effect of the transition metal on the structure and order-disorder phase transition in layered hybrid metal halides (CH<sub>3</sub>CH<sub>2</sub>NH<sub>3</sub>)<sub>2</sub>[MCl<sub>4</sub>] (M = Mn and Co). Acta crystallographica Section B, Structural science, crystal engineering and materials 81(3) (2025) Space group: P n m a Cell volume: 1303.92 Cell parameters: 10.0173; 7.4027; 17.5837; 90; 90; 90; |
| COD ID: 2312858 | |
| CIF file | Formula: - C4 H16 Cl4 Co N2 - Comments: Jakhi, Shatakshi S.; Dhanetwal, Meenal; Reddy, V. Raghavendra; Hathwar, Venkatesha R. Effect of the transition metal on the structure and order-disorder phase transition in layered hybrid metal halides (CH<sub>3</sub>CH<sub>2</sub>NH<sub>3</sub>)<sub>2</sub>[MCl<sub>4</sub>] (M = Mn and Co). Acta crystallographica Section B, Structural science, crystal engineering and materials 81(3) (2025) Space group: P 21 21 21 Cell volume: 1251.97 Cell parameters: 9.7066; 7.6312; 16.9019; 90; 90; 90; |
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