Crystallography Open Database

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Searching journal of publication like 'Acta crystallographica Section B, Structural science, crystal engineering and materials'

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2312699 CIF
HKL
C10 H32 N4 O6 S2P 1 21/n 115.3506; 7.363; 16.3573
90; 90.237; 90
1848.79Charkin, Dmitri O.; Banaru, Alexandru M.; Ivanov, Semen A.; Kireev, Vadim E.; Aksenov, Sergey M.
A contribution to the crystal chemistry and topology of organic thiosulfates: bis(1-methylpiperazinium)·S<sub>2</sub>O<sub>3</sub>·H<sub>2</sub>O versus 1-methylpiperazinediium·S<sub>2</sub>O<sub>3</sub>·3H<sub>2</sub>O.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 706-714
2312700 CIF
HKL
Paper
C13 H12 F N3 O5P -16.5047; 7.171; 13.9389
81.8901; 81.0672; 86.6887
635.45Kanagavel, Manimurugan; Balasubramanian, Sridhar; Nechipadappu, Sunil Kumar
Variable stoichiometry and a salt-cocrystal intermediate in multicomponent systems of flucytosine: structural elucidation and their impact on stability.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 793-806
2312701 CIF
HKL
Paper
C11 H8 Cl F N4 O5P 1 2/n 19.632; 8.42; 16.959
90; 96.781; 90
1365.8Kanagavel, Manimurugan; Balasubramanian, Sridhar; Nechipadappu, Sunil Kumar
Variable stoichiometry and a salt-cocrystal intermediate in multicomponent systems of flucytosine: structural elucidation and their impact on stability.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 793-806
2312702 CIF
HKL
Paper
C11 H11 F2 N6 O3P -17.2912; 9.3029; 10.7855
110.756; 99.6967; 95.2484
665.19Kanagavel, Manimurugan; Balasubramanian, Sridhar; Nechipadappu, Sunil Kumar
Variable stoichiometry and a salt-cocrystal intermediate in multicomponent systems of flucytosine: structural elucidation and their impact on stability.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 793-806
2312703 CIF
HKL
Paper
C22 H22 F4 N12 O6P -17.2415; 10.1036; 10.6423
111.517; 99.093; 110.41
641.36Kanagavel, Manimurugan; Balasubramanian, Sridhar; Nechipadappu, Sunil Kumar
Variable stoichiometry and a salt-cocrystal intermediate in multicomponent systems of flucytosine: structural elucidation and their impact on stability.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 793-806
2312704 CIF
HKL
Paper
C24 H24 F3 N9 O7P 1 21/c 17.252; 36.579; 10.195
90; 107.559; 90
2578Kanagavel, Manimurugan; Balasubramanian, Sridhar; Nechipadappu, Sunil Kumar
Variable stoichiometry and a salt-cocrystal intermediate in multicomponent systems of flucytosine: structural elucidation and their impact on stability.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 793-806
2312705 CIF
HKL
Paper
C40 H32.6 Cu4 Mo4 N8 O16.3P 1 21/c 19.7136; 23.759; 19.9289
90; 103.035; 90
4480.8Moya, 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
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
2312707 CIF
HKL
C40 H32.8 Cu4 Mo4 N8 O15.4P b c n11.694; 9.0285; 21.3258
90; 90; 90
2251.56Moya, 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
2312708 CIFC40 H32 Cu4 Mo8 N8 O26P 1 21/c 110.86409; 11.244; 21.9304
90; 94.1363; 90
2671.95Moya, 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
2312709 CIF
HKL
Paper
C17 H23 I N2P 1 21 15.76; 7.9063; 17.6186
90; 97.412; 90
795.65Kanthapazham, Rajakumar; Osipov, Artyom A.; Zherebtsov, Dmitry A.; Efremov, Andrey N.; Nayfert, Sergey A.; Adonin, Sergey A.; Spiridonova, Dar'ya V.; Atapin, Sergey V.
Structures of hexamethyl-[1,1'-biphenyl]-4,4'-diammonium salts.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 751-759
2312710 CIF
HKL
Paper
C18 H32 I2 N2 O3C 1 2/c 124.6407; 8.3854; 11.0576
90; 92.245; 90
2282.99Kanthapazham, Rajakumar; Osipov, Artyom A.; Zherebtsov, Dmitry A.; Efremov, Andrey N.; Nayfert, Sergey A.; Adonin, Sergey A.; Spiridonova, Dar'ya V.; Atapin, Sergey V.
Structures of hexamethyl-[1,1'-biphenyl]-4,4'-diammonium salts.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 751-759
2312711 CIF
HKL
Paper
C26 H50 I6 N2 O4 S4P -19.7562; 13.3158; 18.6498
72.055; 86.424; 73.147
2205Kanthapazham, Rajakumar; Osipov, Artyom A.; Zherebtsov, Dmitry A.; Efremov, Andrey N.; Nayfert, Sergey A.; Adonin, Sergey A.; Spiridonova, Dar'ya V.; Atapin, Sergey V.
Structures of hexamethyl-[1,1'-biphenyl]-4,4'-diammonium salts.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 751-759
2312712 CIF
HKL
Paper
C22 H42 N2 O10P b c n25.1134; 8.387; 11.857
90; 90; 90
2497.39Kanthapazham, Rajakumar; Osipov, Artyom A.; Zherebtsov, Dmitry A.; Efremov, Andrey N.; Nayfert, Sergey A.; Adonin, Sergey A.; Spiridonova, Dar'ya V.; Atapin, Sergey V.
Structures of hexamethyl-[1,1'-biphenyl]-4,4'-diammonium salts.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 751-759
2312713 CIF
HKL
Paper
C22 H40 N2 O10P b c n24.8529; 8.3869; 11.939
90; 90; 90
2488.55Kanthapazham, Rajakumar; Osipov, Artyom A.; Zherebtsov, Dmitry A.; Efremov, Andrey N.; Nayfert, Sergey A.; Adonin, Sergey A.; Spiridonova, Dar'ya V.; Atapin, Sergey V.
Structures of hexamethyl-[1,1'-biphenyl]-4,4'-diammonium salts.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 751-759
2312714 CIF
HKL
Paper
C108 H224 N12 O70 V12P -19.0744; 17.4077; 25.1209
92.859; 94.838; 101.799
3861.35Kanthapazham, Rajakumar; Osipov, Artyom A.; Zherebtsov, Dmitry A.; Efremov, Andrey N.; Nayfert, Sergey A.; Adonin, Sergey A.; Spiridonova, Dar'ya V.; Atapin, Sergey V.
Structures of hexamethyl-[1,1'-biphenyl]-4,4'-diammonium salts.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 751-759
2312715 CIF
HKL
Paper
C34 H48 N2 O14P 1 21/c 112.9176; 8.8157; 15.5173
90; 99.836; 90
1741.1Kanthapazham, Rajakumar; Osipov, Artyom A.; Zherebtsov, Dmitry A.; Efremov, Andrey N.; Nayfert, Sergey A.; Adonin, Sergey A.; Spiridonova, Dar'ya V.; Atapin, Sergey V.
Structures of hexamethyl-[1,1'-biphenyl]-4,4'-diammonium salts.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 751-759
2312716 CIF
HKL
Paper
C60 H80 N4 O18P -110.0218; 11.3143; 13.6143
92.431; 90.386; 113.564
1413.25Kanthapazham, Rajakumar; Osipov, Artyom A.; Zherebtsov, Dmitry A.; Efremov, Andrey N.; Nayfert, Sergey A.; Adonin, Sergey A.; Spiridonova, Dar'ya V.; Atapin, Sergey V.
Structures of hexamethyl-[1,1'-biphenyl]-4,4'-diammonium salts.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 751-759
2312717 CIF
HKL
Paper
C54 H54 N2 Na2 O18P -4 21 c17.1314; 17.1314; 35.164
90; 90; 90
10320.1Kanthapazham, Rajakumar; Osipov, Artyom A.; Zherebtsov, Dmitry A.; Efremov, Andrey N.; Nayfert, Sergey A.; Adonin, Sergey A.; Spiridonova, Dar'ya V.; Atapin, Sergey V.
Structures of hexamethyl-[1,1'-biphenyl]-4,4'-diammonium salts.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 751-759
2312718 CIF
HKL
C15 H13.968 O8.984P -13.7244; 13.05; 14.982
71.986; 83.86; 85.624
687.8Bibila Mayaya Bisseyou, Yvon; Wright, Jonathan; Jelsch, Christian
Conformational disorder in quercetin dihydrate revealed from ultrahigh-resolution synchrotron diffraction.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 766-781
2312719 CIF
Paper
Cu0 H O13 P3 Pb5P n m a13.5137; 10.2904; 9.3838
90; 90; 90
1304.92Xu, Mingyu; Wang, Haozhe; Vojvodin, Cameron; Yarava, Jayasubba Reddy; Wang, Tuo; Xie, Weiwei
Polymorphism of Pb<sub>5</sub>(PO<sub>4</sub>)<sub>3</sub>OH<sub>δ</sub> within the LK-99 mixture.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 746-750
2312726 CIF
HKL
Paper
Ni3 O8 V2C m c e5.93384; 11.38318; 8.23818
90; 90; 90
556.456Aziz, Fiza; Paszkowicz, Wojciech; Minikayev, Roman; Martin, Christine; Kozlowski, Miroslaw; Teisseyre, Henryk
Crystal structure of nickel orthovanadate (Ni<sub>3</sub>V<sub>2</sub>O<sub>8</sub>) at 299 (3) K and 1323 (8) K: an X-ray diffraction study.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 715-723
2312727 CIF
HKL
Ni3 O8 V2C m c e5.9324; 11.38492; 8.23893
90; 90; 90
556.457Aziz, Fiza; Paszkowicz, Wojciech; Minikayev, Roman; Martin, Christine; Kozlowski, Miroslaw; Teisseyre, Henryk
Crystal structure of nickel orthovanadate (Ni<sub>3</sub>V<sub>2</sub>O<sub>8</sub>) at 299 (3) K and 1323 (8) K: an X-ray diffraction study.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 715-723
2312728 CIF
HKL
Ni3 O8 V2C m c e6.02077; 11.48838; 8.32611
90; 90; 90
575.908Aziz, Fiza; Paszkowicz, Wojciech; Minikayev, Roman; Martin, Christine; Kozlowski, Miroslaw; Teisseyre, Henryk
Crystal structure of nickel orthovanadate (Ni<sub>3</sub>V<sub>2</sub>O<sub>8</sub>) at 299 (3) K and 1323 (8) K: an X-ray diffraction study.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 715-723
2312737 CIF
HKL
Ca0.31 Mn0.14 Na5 O12 P3 Zn1.55P n a 2112.9901; 16.2647; 5.2158
90; 90; 90
1101.99Yakubovich, 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, 2025, 81
2312749 CIF
Paper
Fe0.13 Li0.13 Mg0.73 O3 SiP b c a18.1735; 8.77666; 5.19316
90; 90; 90
828.32Ballirano, 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, 2025, 81
2312750 CIFFe0.14 Li0.14 Mg0.71 O3 SiP b c a18.1654; 8.773; 5.1958
90; 90; 90
828.03Ballirano, 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, 2025, 81
2312751 CIFFe0.16 Li0.16 Mg0.69 O3 SiP b c a18.1718; 8.7706; 5.1992
90; 90; 90
828.64Ballirano, 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, 2025, 81
2312752 CIFFe0.08 Li0.08 Mg0.84 O3 SiP b c n9.2232; 8.704; 5.3107
90; 90; 90
426.336Ballirano, 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, 2025, 81
2312753 CIFFe0.08 Li0.08 Mg0.84 O3 SiP b c n9.2255; 8.7052; 5.3106
90; 90; 90
426.493Ballirano, 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, 2025, 81
2312765 CIF
Paper
C12 H8 Cl5 N OP -17.3317; 8.9118; 11.8169
69.929; 84.854; 76.227
704.33Chalupná, 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, 2025, 81, 208-216
2312766 CIF
Paper
C18 H16 N2 O8C 1 2/c 123.9983; 6.7578; 11.4431
90; 116.034; 90
1667.5Chalupná, 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, 2025, 81, 208-216
2312767 CIF
Paper
C15 H16 N4 O5C 1 2/c 137.809; 5.2412; 16.254
90; 108.433; 90
3055.7Chalupná, 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, 2025, 81, 208-216
2312768 CIF
Paper
C12 H11 Cl2 N3 O3P -16.3868; 6.9694; 15.2424
92.0313; 93.0261; 103.601
657.73Chalupná, 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, 2025, 81, 208-216
2312769 CIF
Paper
C20 H30 N8 O4P 21 21 216.9874; 13.8458; 21.4834
90; 90; 90
2078.44Chalupná, 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, 2025, 81, 208-216
2312770 CIF
Paper
C22 H16 N6 O10P b c n14.9666; 7.0415; 21.835
90; 90; 90
2301.1Chalupná, 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, 2025, 81, 208-216
2312771 CIF
Paper
C34 H22 N4 O8P -17.0595; 7.2153; 13.9211
91.067; 102.473; 106
663.22Chalupná, 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, 2025, 81, 208-216
2312772 CIF
Paper
C29 H26 N2 O10C 1 2/c 122.9392; 4.7809; 24.1632
90; 96.542; 90
2632.7Chalupná, 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, 2025, 81, 208-216
2312773 CIF
Paper
C32 H30 N2 O4C 1 c 121.952; 7.3477; 17
90; 104.61; 90
2653.38Chalupná, 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, 2025, 81, 208-216
2312792 CIF
HKL
Paper
C15 H9 F3 N2 OP -18.0695; 8.9083; 19.4438
95.82; 96.025; 110.173
1290.48Mandal, Koushik; Chopra, Deepak
Quantitative crystal structure analysis in trifluoromethyl- and cyano-substituted N-phenylbenzamides.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81, 266-282
2312793 CIF
HKL
C15 H9 F3 N2 OP 1 21/n 14.7186; 9.5567; 28.036
90; 93.525; 90
1261.87Mandal, Koushik; Chopra, Deepak
Quantitative crystal structure analysis in trifluoromethyl- and cyano-substituted N-phenylbenzamides.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81, 266-282
2312794 CIF
HKL
C15 H9 F3 N2 OP 1 21/c 118.77; 19.92; 7.226
90; 90.72; 90
2702Mandal, Koushik; Chopra, Deepak
Quantitative crystal structure analysis in trifluoromethyl- and cyano-substituted N-phenylbenzamides.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81, 266-282
2312795 CIF
HKL
C15 H9 F3 N2 OP -19.5134; 11.4082; 12.2991
91.435; 90.336; 94.786
1329.7Mandal, Koushik; Chopra, Deepak
Quantitative crystal structure analysis in trifluoromethyl- and cyano-substituted N-phenylbenzamides.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81, 266-282
2312796 CIF
HKL
C15 H9 F3 N2 OP 1 21/c 17.746; 19.804; 9.126
90; 108.55; 90
1327.2Mandal, Koushik; Chopra, Deepak
Quantitative crystal structure analysis in trifluoromethyl- and cyano-substituted N-phenylbenzamides.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81, 266-282
2312797 CIF
HKL
C15 H9 F3 N2 OP 1 21/c 14.934; 18.064; 14.446
90; 96.061; 90
1280.3Mandal, Koushik; Chopra, Deepak
Quantitative crystal structure analysis in trifluoromethyl- and cyano-substituted N-phenylbenzamides.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81, 266-282
2312798 CIF
HKL
C15 H9 F3 N2 OP 1 21/n 14.9872; 34.236; 7.7939
90; 106.747; 90
1274.3Mandal, Koushik; Chopra, Deepak
Quantitative crystal structure analysis in trifluoromethyl- and cyano-substituted N-phenylbenzamides.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81, 266-282
2312799 CIF
HKL
C15 H9 F3 N2 OP -111.0877; 13.1614; 14.1078
77.631; 74.266; 79.294
1917.68Mandal, Koushik; Chopra, Deepak
Quantitative crystal structure analysis in trifluoromethyl- and cyano-substituted N-phenylbenzamides.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81, 266-282
2312800 CIF
HKL
C15 H9 F3 N2 OP 1 21/c 111.7628; 12.5764; 8.6239
90; 93.019; 90
1273.99Mandal, Koushik; Chopra, Deepak
Quantitative crystal structure analysis in trifluoromethyl- and cyano-substituted N-phenylbenzamides.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81, 266-282
2312801 CIF
HKL
C15 H9 F3 N2 OP 1 21/n 110.804; 13.3892; 18.8504
90; 104.148; 90
2644.1Mandal, Koushik; Chopra, Deepak
Quantitative crystal structure analysis in trifluoromethyl- and cyano-substituted N-phenylbenzamides.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81, 266-282
2312812 CIFCa Cs4 O19 Si8P 1 21/n 17.167; 12.0884; 12.4019
90; 90.044; 90
1074.47Kahlenberg, 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, 2025, 81

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