Crystallography Open Database

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Searching journal of publication like 'IUCrJ' volume of publication is 5

COD ID: 1548112
CIF file

Original IUCr paper

 Formula: - C8 H8 Cd Cl2 N4 O2 -
Comments: Daković, Marijana; Soldin, Željka; Kukovec, Boris-Marko; Kodrin, Ivan; Aakeröy, Christer B.; Baus, Nea; Rinkovec, Tamara Building inorganic supramolecular architectures using principles adopted from the organic solid state IUCrJ 5(1) (2018)
Space group: P 1 21/c 1
Cell volume: 579.96
Cell parameters: 3.7833; 7.6139; 20.1473; 90; 92.131; 90;  

COD ID: 1548113
CIF file Formula: - C8 H8 Br2 Cd N4 O2 -
Comments: Daković, Marijana; Soldin, Željka; Kukovec, Boris-Marko; Kodrin, Ivan; Aakeröy, Christer B.; Baus, Nea; Rinkovec, Tamara Building inorganic supramolecular architectures using principles adopted from the organic solid state IUCrJ 5(1) (2018)
Space group: P 1 21/c 1
Cell volume: 620.61
Cell parameters: 3.9043; 7.718; 20.6142; 90; 92.442; 90;  

COD ID: 1548114
CIF file Formula: - C8 H8 Cd I2 N4 O2 -
Comments: Daković, Marijana; Soldin, Željka; Kukovec, Boris-Marko; Kodrin, Ivan; Aakeröy, Christer B.; Baus, Nea; Rinkovec, Tamara Building inorganic supramolecular architectures using principles adopted from the organic solid state IUCrJ 5(1) (2018)
Space group: P 1 21/c 1
Cell volume: 686.16
Cell parameters: 4.1497; 7.8783; 21.0091; 90; 92.551; 90;  

COD ID: 1548115
CIF file Formula: - C8 H8 Br2 Cd N4 O2 -
Comments: Daković, Marijana; Soldin, Željka; Kukovec, Boris-Marko; Kodrin, Ivan; Aakeröy, Christer B.; Baus, Nea; Rinkovec, Tamara Building inorganic supramolecular architectures using principles adopted from the organic solid state IUCrJ 5(1) (2018)
Space group: P 1 21/n 1
Cell volume: 631.68
Cell parameters: 3.884; 23.164; 7.0359; 90; 93.712; 90;  

COD ID: 1548116
CIF file Formula: - C8 H8 Cd I2 N4 O2 -
Comments: Daković, Marijana; Soldin, Željka; Kukovec, Boris-Marko; Kodrin, Ivan; Aakeröy, Christer B.; Baus, Nea; Rinkovec, Tamara Building inorganic supramolecular architectures using principles adopted from the organic solid state IUCrJ 5(1) (2018)
Space group: P 1 21/c 1
Cell volume: 693.65
Cell parameters: 4.0953; 7.8089; 21.7078; 90; 92.307; 90;  

COD ID: 1548117
CIF file Formula: - C16 H12 Br2 Cd N4 O2 -
Comments: Daković, Marijana; Soldin, Željka; Kukovec, Boris-Marko; Kodrin, Ivan; Aakeröy, Christer B.; Baus, Nea; Rinkovec, Tamara Building inorganic supramolecular architectures using principles adopted from the organic solid state IUCrJ 5(1) (2018)
Space group: I 1 2/a 1
Cell volume: 1706.04
Cell parameters: 18.259; 3.867; 24.2737; 90; 95.491; 90;  

COD ID: 1548118
CIF file Formula: - C16 H12 Cd I2 N4 O2 -
Comments: Daković, Marijana; Soldin, Željka; Kukovec, Boris-Marko; Kodrin, Ivan; Aakeröy, Christer B.; Baus, Nea; Rinkovec, Tamara Building inorganic supramolecular architectures using principles adopted from the organic solid state IUCrJ 5(1) (2018)
Space group: I 1 2/a 1
Cell volume: 1823.15
Cell parameters: 19.7099; 6.8535; 13.631; 90; 98.052; 90;  

COD ID: 1548908
CIF file

Original IUCr paper

 Formula: - Al O4 P -
Comments: Tinti, Gemma; Fröjdh, Erik; van Genderen, Eric; Gruene, Tim; Schmitt, Bernd; de Winter, D. A. Matthijs; Weckhuysen, Bert M.; Abrahams, Jan Pieter Electron crystallography with the EIGER detector IUCrJ 5(2) (2018) 190-199
Space group: R -3 :R
Cell volume: 878.7
Cell parameters: 9.609; 9.609; 9.609; 94.46; 94.46; 94.46;  

COD ID: 1549161
CIF file

Original IUCr paper

 Formula: - C20 H24 N2 O10 Zn2 -
Comments: Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Kiskin, Mikhail A.; Sidorov, Aleksei A.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Voronova, Eugenia D.; Godovikov, Ivan A.; Korlyukov, Alexander A.; Eremenko, Igor L.; Vologzhanina, Anna V. Exploitation of knowledge databases in the synthesis of zinc(II) malonates with photo-sensitive and photo-insensitive <i>N</i>,<i>N</i>'-containing linkers IUCrJ 5(3) (2018)
Space group: P n n m
Cell volume: 1052.3
Cell parameters: 7.4159; 19.318; 7.3457; 90; 90; 90;  

COD ID: 1549162
CIF file Formula: - C17 H18 N2 O5 Zn -
Comments: Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Kiskin, Mikhail A.; Sidorov, Aleksei A.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Voronova, Eugenia D.; Godovikov, Ivan A.; Korlyukov, Alexander A.; Eremenko, Igor L.; Vologzhanina, Anna V. Exploitation of knowledge databases in the synthesis of zinc(II) malonates with photo-sensitive and photo-insensitive <i>N</i>,<i>N</i>'-containing linkers IUCrJ 5(3) (2018)
Space group: P 1 21/c 1
Cell volume: 1676.5
Cell parameters: 8.2852; 10.4999; 21.684; 90; 117.282; 90;  

COD ID: 1549163
CIF file Formula: - C17 H17 N2 O4.25 Zn -
Comments: Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Kiskin, Mikhail A.; Sidorov, Aleksei A.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Voronova, Eugenia D.; Godovikov, Ivan A.; Korlyukov, Alexander A.; Eremenko, Igor L.; Vologzhanina, Anna V. Exploitation of knowledge databases in the synthesis of zinc(II) malonates with photo-sensitive and photo-insensitive <i>N</i>,<i>N</i>'-containing linkers IUCrJ 5(3) (2018)
Space group: P n n a
Cell volume: 1704
Cell parameters: 8.3; 10.4; 19.74; 90; 90; 90;  

COD ID: 1549164
CIF file Formula: - C22 H24 N2 O8 Zn -
Comments: Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Kiskin, Mikhail A.; Sidorov, Aleksei A.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Voronova, Eugenia D.; Godovikov, Ivan A.; Korlyukov, Alexander A.; Eremenko, Igor L.; Vologzhanina, Anna V. Exploitation of knowledge databases in the synthesis of zinc(II) malonates with photo-sensitive and photo-insensitive <i>N</i>,<i>N</i>'-containing linkers IUCrJ 5(3) (2018)
Space group: C 1 2/c 1
Cell volume: 2104.1
Cell parameters: 18.0211; 5.8795; 21.7192; 90; 113.89; 90;  

COD ID: 1549165
CIF file Formula: - C17 H20 N2 O5 Zn -
Comments: Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Kiskin, Mikhail A.; Sidorov, Aleksei A.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Voronova, Eugenia D.; Godovikov, Ivan A.; Korlyukov, Alexander A.; Eremenko, Igor L.; Vologzhanina, Anna V. Exploitation of knowledge databases in the synthesis of zinc(II) malonates with photo-sensitive and photo-insensitive <i>N</i>,<i>N</i>'-containing linkers IUCrJ 5(3) (2018)
Space group: P 1 21/c 1
Cell volume: 1698.8
Cell parameters: 8.4434; 10.3811; 21.551; 90; 115.928; 90;  

COD ID: 1549166
CIF file Formula: - C22 H24 N3 O5 Zn -
Comments: Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Kiskin, Mikhail A.; Sidorov, Aleksei A.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Voronova, Eugenia D.; Godovikov, Ivan A.; Korlyukov, Alexander A.; Eremenko, Igor L.; Vologzhanina, Anna V. Exploitation of knowledge databases in the synthesis of zinc(II) malonates with photo-sensitive and photo-insensitive <i>N</i>,<i>N</i>'-containing linkers IUCrJ 5(3) (2018)
Space group: P 1 21/c 1
Cell volume: 2168.8
Cell parameters: 11.1832; 8.2422; 23.832; 90; 99.143; 90;  

COD ID: 1549167
CIF file Formula: - C34 H50 N4 O14 Zn -
Comments: Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Kiskin, Mikhail A.; Sidorov, Aleksei A.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Voronova, Eugenia D.; Godovikov, Ivan A.; Korlyukov, Alexander A.; Eremenko, Igor L.; Vologzhanina, Anna V. Exploitation of knowledge databases in the synthesis of zinc(II) malonates with photo-sensitive and photo-insensitive <i>N</i>,<i>N</i>'-containing linkers IUCrJ 5(3) (2018)
Space group: C 1 2/c 1
Cell volume: 3821.1
Cell parameters: 22.6008; 11.4154; 17.1552; 90; 120.308; 90;  

COD ID: 1549168
CIF file Formula: - C22 H22.5 N2.5 O4 Zn -
Comments: Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Kiskin, Mikhail A.; Sidorov, Aleksei A.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Voronova, Eugenia D.; Godovikov, Ivan A.; Korlyukov, Alexander A.; Eremenko, Igor L.; Vologzhanina, Anna V. Exploitation of knowledge databases in the synthesis of zinc(II) malonates with photo-sensitive and photo-insensitive <i>N</i>,<i>N</i>'-containing linkers IUCrJ 5(3) (2018)
Space group: C m c m
Cell volume: 4805.8
Cell parameters: 9.8266; 22.0654; 22.1641; 90; 90; 90;  

COD ID: 1549169
CIF file Formula: - C22 H22.5 N2.5 O4 Zn -
Comments: Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Kiskin, Mikhail A.; Sidorov, Aleksei A.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Voronova, Eugenia D.; Godovikov, Ivan A.; Korlyukov, Alexander A.; Eremenko, Igor L.; Vologzhanina, Anna V. Exploitation of knowledge databases in the synthesis of zinc(II) malonates with photo-sensitive and photo-insensitive <i>N</i>,<i>N</i>'-containing linkers IUCrJ 5(3) (2018)
Space group: P b c n
Cell volume: 4762
Cell parameters: 9.845; 22.082; 21.905; 90; 90; 90;  

COD ID: 1549170
CIF file Formula: - C38 H48 N4 O12 Zn -
Comments: Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Kiskin, Mikhail A.; Sidorov, Aleksei A.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Voronova, Eugenia D.; Godovikov, Ivan A.; Korlyukov, Alexander A.; Eremenko, Igor L.; Vologzhanina, Anna V. Exploitation of knowledge databases in the synthesis of zinc(II) malonates with photo-sensitive and photo-insensitive <i>N</i>,<i>N</i>'-containing linkers IUCrJ 5(3) (2018)
Space group: C 1 2/m 1
Cell volume: 1981.3
Cell parameters: 22.881; 6.8976; 14.1573; 90; 117.532; 90;  

COD ID: 1549171
CIF file Formula: - C38 H48 N4 O12 Zn -
Comments: Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Kiskin, Mikhail A.; Sidorov, Aleksei A.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Voronova, Eugenia D.; Godovikov, Ivan A.; Korlyukov, Alexander A.; Eremenko, Igor L.; Vologzhanina, Anna V. Exploitation of knowledge databases in the synthesis of zinc(II) malonates with photo-sensitive and photo-insensitive <i>N</i>,<i>N</i>'-containing linkers IUCrJ 5(3) (2018)
Space group: C 1 2/c 1
Cell volume: 4004.6
Cell parameters: 26.8028; 6.8933; 23.069; 90; 110.021; 90;  

COD ID: 1549172
CIF file Formula: - C19 H22.75 N2 O4.38 Zn -
Comments: Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Kiskin, Mikhail A.; Sidorov, Aleksei A.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Voronova, Eugenia D.; Godovikov, Ivan A.; Korlyukov, Alexander A.; Eremenko, Igor L.; Vologzhanina, Anna V. Exploitation of knowledge databases in the synthesis of zinc(II) malonates with photo-sensitive and photo-insensitive <i>N</i>,<i>N</i>'-containing linkers IUCrJ 5(3) (2018)
Space group: C 2 2 21
Cell volume: 8053.1
Cell parameters: 24.662; 37.18; 8.7826; 90; 90; 90;  

COD ID: 1549175
CIF file Formula: - C12 H8 S3 -
Comments: Resel, Roland; Jones, Andrew O. F.; Schweicher, Guillaume; Fischer, Roland; Demitri, Nicola; Geerts, Yves Henri Polymorphism of terthiophene with surface confinement IUCrJ 5(3) (2018)
Space group: P 1 21/n 1
Cell volume: 11535
Cell parameters: 43.822; 5.689; 48.331; 90; 106.79; 90;  

COD ID: 1549229
CIF file Formula: - C16 H21 N7 O3 S -
Comments: Rehman, Abida; Delori, Amit; Hughes, David S.; Jones, William Structural studies of crystalline forms of triamterene with carboxylic acid, GRAS and API molecules IUCrJ 5(3) (2018)
Space group: P -1
Cell volume: 1846.65
Cell parameters: 10.8022; 13.9084; 14.6076; 115.284; 109.088; 90.525;  

COD ID: 1549230
CIF file Formula: - C18 H23 N7 O5 S -
Comments: Rehman, Abida; Delori, Amit; Hughes, David S.; Jones, William Structural studies of crystalline forms of triamterene with carboxylic acid, GRAS and API molecules IUCrJ 5(3) (2018)
Space group: P 1 21/c 1
Cell volume: 2102.95
Cell parameters: 13.5226; 14.9966; 10.6958; 90; 104.179; 90;  

COD ID: 1549231
CIF file Formula: - C34 H44 N14 O6 S2 -
Comments: Rehman, Abida; Delori, Amit; Hughes, David S.; Jones, William Structural studies of crystalline forms of triamterene with carboxylic acid, GRAS and API molecules IUCrJ 5(3) (2018)
Space group: P -1
Cell volume: 1900.25
Cell parameters: 11.0286; 13.7429; 14.9742; 115.247; 109.951; 90.122;  

COD ID: 1549232
CIF file Formula: - C35 H46 N14 O6 S2 -
Comments: Rehman, Abida; Delori, Amit; Hughes, David S.; Jones, William Structural studies of crystalline forms of triamterene with carboxylic acid, GRAS and API molecules IUCrJ 5(3) (2018)
Space group: P -1
Cell volume: 3898.7
Cell parameters: 14.075; 14.8889; 19.635; 86.408; 88.142; 71.702;  

COD ID: 1549233
CIF file Formula: - C37 H50 N14 O6 S2 -
Comments: Rehman, Abida; Delori, Amit; Hughes, David S.; Jones, William Structural studies of crystalline forms of triamterene with carboxylic acid, GRAS and API molecules IUCrJ 5(3) (2018)
Space group: P 1 21/n 1
Cell volume: 4082.87
Cell parameters: 15.0338; 11.5004; 24.396; 90; 104.539; 90;  

COD ID: 1549234
CIF file Formula: - C34 H39 N15 O4 S2 -
Comments: Rehman, Abida; Delori, Amit; Hughes, David S.; Jones, William Structural studies of crystalline forms of triamterene with carboxylic acid, GRAS and API molecules IUCrJ 5(3) (2018)
Space group: P 1 21/n 1
Cell volume: 3753.71
Cell parameters: 14.8461; 12.3081; 21.285; 90; 105.176; 90;  

COD ID: 1549235
CIF file Formula: - C39 H46 N14 O3 S -
Comments: Rehman, Abida; Delori, Amit; Hughes, David S.; Jones, William Structural studies of crystalline forms of triamterene with carboxylic acid, GRAS and API molecules IUCrJ 5(3) (2018)
Space group: P -1
Cell volume: 2029.46
Cell parameters: 11.2398; 13.2439; 15.4624; 113.595; 103.527; 91.977;  

COD ID: 1549267
CIF file Formula: - C26 H15 N5 O -
Comments: Ostrowska, Katarzyna; Ceresoli, Davide; Stadnicka, Katarzyna; Gryl, Marlena; Cazzaniga, Marco; Soave, Raffaella; Musielak, Bogdan; Witek, Łukasz J.; Goszczycki, Piotr; Grolik, Jarosław; Turek, Andrzej M. π‒π-Induced aggregation and single-crystal fluorescence anisotropy of 5,6,10b-triazaacephenanthrylene IUCrJ 5(3) (2018)
Space group: P -1
Cell volume: 967.99
Cell parameters: 9.3241; 9.5329; 12.0593; 83.218; 66.653; 80.098;  

COD ID: 1549268
CIF file Formula: - C26 H15 N5 O -
Comments: Ostrowska, Katarzyna; Ceresoli, Davide; Stadnicka, Katarzyna; Gryl, Marlena; Cazzaniga, Marco; Soave, Raffaella; Musielak, Bogdan; Witek, Łukasz J.; Goszczycki, Piotr; Grolik, Jarosław; Turek, Andrzej M. π‒π-Induced aggregation and single-crystal fluorescence anisotropy of 5,6,10b-triazaacephenanthrylene IUCrJ 5(3) (2018)
Space group: P -1
Cell volume: 944.47
Cell parameters: 9.2504; 9.4009; 11.9245; 84.147; 67.347; 81.113;  

COD ID: 1549525
CIF file Formula: - C4 H6 Cl N3 O -
Comments: Kumar, Prashant; Cabaj, Malgorzata Katarzyna; Pazio, Aleksandra; Dominiak, Paulina Maria Protonated nucleobases are not fully ionized in their chloride salt crystals and form metastable base pairs further stabilized by the surrounding anions IUCrJ 5(4) (2018)
Space group: P 1 21/n 1
Cell volume: 612.777
Cell parameters: 8.1481; 6.8774; 10.9947; 90; 95.97; 90;  

COD ID: 1549526
CIF file Formula: - C5 H7 Cl N5 O0.5 -
Comments: Kumar, Prashant; Cabaj, Malgorzata Katarzyna; Pazio, Aleksandra; Dominiak, Paulina Maria Protonated nucleobases are not fully ionized in their chloride salt crystals and form metastable base pairs further stabilized by the surrounding anions IUCrJ 5(4) (2018)
Space group: P 1 2/n 1
Cell volume: 739.992
Cell parameters: 8.6936; 4.8189; 17.6971; 90; 93.526; 90;  

COD ID: 1549527
CIF file Formula: - C2.5 H3.5 Cl N2.5 O0.5 -
Comments: Kumar, Prashant; Cabaj, Malgorzata Katarzyna; Pazio, Aleksandra; Dominiak, Paulina Maria Protonated nucleobases are not fully ionized in their chloride salt crystals and form metastable base pairs further stabilized by the surrounding anions IUCrJ 5(4) (2018)
Space group: P n m a
Cell volume: 869.1
Cell parameters: 13.5939; 6.4841; 9.86; 90; 90; 90;  

COD ID: 1549598
CIF file

Original IUCr paper

 Formula: - Al4.857 O9.571 Si1.143 -
Comments: Klar, Paul Benjamin; Etxebarria, Iñigo; Madariaga, Gotzon Exploiting superspace to clarify vacancy and Al/Si ordering in mullite IUCrJ 5(4) (2018)
Space group: P b a m
Cell volume: 167.635
Cell parameters: 7.5787; 7.6707; 2.8836; 90; 90; 90;  

COD ID: 1549599
CIF file

Original IUCr paper

 Formula: - Al4.832 O9.584 Si1.168 -
Comments: Klar, Paul Benjamin; Etxebarria, Iñigo; Madariaga, Gotzon Exploiting superspace to clarify vacancy and Al/Si ordering in mullite IUCrJ 5(4) (2018)
Space group: P b a m
Cell volume: 167.46
Cell parameters: 7.577; 7.6727; 2.8804; 90; 90; 90;  

COD ID: 1549600
CIF file

Original IUCr paper

 Formula: - Al4.868 O9.566 Si1.132 -
Comments: Klar, Paul Benjamin; Etxebarria, Iñigo; Madariaga, Gotzon Exploiting superspace to clarify vacancy and Al/Si ordering in mullite IUCrJ 5(4) (2018)
Space group: P b a m
Cell volume: 167.69
Cell parameters: 7.5768; 7.676; 2.8833; 90; 90; 90;  

COD ID: 1549601
CIF file

Original IUCr paper

 Formula: - Al4.853 O9.574 Si1.147 -
Comments: Klar, Paul Benjamin; Etxebarria, Iñigo; Madariaga, Gotzon Exploiting superspace to clarify vacancy and Al/Si ordering in mullite IUCrJ 5(4) (2018)
Space group: P b a m
Cell volume: 167.59
Cell parameters: 7.577; 7.6738; 2.8823; 90; 90; 90;  

COD ID: 1549602
CIF file Formula: - C52 H24 F16 I4 N4 -
Comments: Sinnwell, Michael A.; Blad, Jared N.; Thomas, Logan R.; MacGillivray, Leonard R. Structural flexibility of halogen bonds showed in a single-crystal-to-single-crystal [2+2] photodimerization IUCrJ 5(4) (2018)
Space group: P 1 21/c 1
Cell volume: 2445.6
Cell parameters: 13.0184; 9.7153; 19.986; 90; 104.649; 90;  

COD ID: 1549603
CIF file Formula: - C52 H24 F16 I4 N4 -
Comments: Sinnwell, Michael A.; Blad, Jared N.; Thomas, Logan R.; MacGillivray, Leonard R. Structural flexibility of halogen bonds showed in a single-crystal-to-single-crystal [2+2] photodimerization IUCrJ 5(4) (2018)
Space group: P 1 21/c 1
Cell volume: 2440.1
Cell parameters: 12.9647; 10.2219; 19.519; 90; 109.387; 90;  

COD ID: 1549713
CIF file Formula: - C42 H46 Mn0.5 N6 O14 S2 -
Comments: Fidalgo-Marijuan, Arkaitz; Amayuelas, Eder; Barandika, Gotzone; Larrea, Edurne S.; Bazán, Begoña; Urtiaga, Miren Karmele; Iglesias, Marta; Arriortua, María Isabel Double role of metalloporphyrins in catalytic bioinspired supramolecular metal‒organic frameworks (SMOFs) IUCrJ 5(5) (2018)
Space group: P -1
Cell volume: 2144.39
Cell parameters: 9.7187; 11.2496; 21.8708; 88.401; 83.848; 64.446;  

COD ID: 1549881
CIF file Formula: - C13 H8 Br N O Se -
Comments: Shukla, Rahul; Claiser, Nicolas; Souhassou, Mohamed; Lecomte, Claude; Balkrishna, Shah Jaimin; Kumar, Sangit; Chopra, Deepak Exploring the simultaneous σ-hole/π-hole bonding characteristics of a Br···π interaction in an ebselen derivative <i>via</i> experimental and theoretical electron-density analysis IUCrJ 5(5) (2018) 647-653
Space group: P 1 21/n 1
Cell volume: 1178.1
Cell parameters: 7.6043; 13.4161; 11.8847; 90; 103.676; 90;  

COD ID: 1549947
CIF file Formula: - C10 H12 N2 -
Comments: Zuñiga, Fco. Javier; Cruz-Cabeza, Aurora J.; Aretxabaleta, Xabier M.; de la Pinta, Noelia; Breczewski, Tomasz; Quesada-Moreno, María Mar; Avilés-Moreno, Juan Ramón; López-González, Juan Jesús; Claramunt, Rosa M.; Elguero, Jose Conformational aspects of polymorphs and phases of 2-propyl-1<i>H</i>-benzimidazole IUCrJ 5(6) (2018)
Space group: P c a m
Cell volume: 1916.39
Cell parameters: 8.99566; 21.5226; 9.8982; 90; 90; 90;  

COD ID: 1549948
CIF file Formula: - C10 H12 N2 -
Comments: Zuñiga, Fco. Javier; Cruz-Cabeza, Aurora J.; Aretxabaleta, Xabier M.; de la Pinta, Noelia; Breczewski, Tomasz; Quesada-Moreno, María Mar; Avilés-Moreno, Juan Ramón; López-González, Juan Jesús; Claramunt, Rosa M.; Elguero, Jose Conformational aspects of polymorphs and phases of 2-propyl-1<i>H</i>-benzimidazole IUCrJ 5(6) (2018)
Space group: P c a 21
Cell volume: 1823.13
Cell parameters: 9.0006; 20.7778; 9.7487; 90; 90; 90;  

COD ID: 1549949
CIF file Formula: - C10 H12 N2 -
Comments: Zuñiga, Fco. Javier; Cruz-Cabeza, Aurora J.; Aretxabaleta, Xabier M.; de la Pinta, Noelia; Breczewski, Tomasz; Quesada-Moreno, María Mar; Avilés-Moreno, Juan Ramón; López-González, Juan Jesús; Claramunt, Rosa M.; Elguero, Jose Conformational aspects of polymorphs and phases of 2-propyl-1<i>H</i>-benzimidazole IUCrJ 5(6) (2018)
Space group: P n a 21
Cell volume: 3564.4
Cell parameters: 8.6825; 42.095; 9.7523; 90; 90; 90;  

COD ID: 1550099
CIF file Formula: - C31 H34 N2 O5 -
Comments: Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ 5(6) (2018)
Space group: P 1 21/c 1
Cell volume: 2631.97
Cell parameters: 11.0695; 17.736; 13.5179; 90; 97.3794; 90;  

COD ID: 1550100
CIF file Formula: - C31 H34 N2 O6 -
Comments: Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ 5(6) (2018)
Space group: P 1 21/c 1
Cell volume: 2657.27
Cell parameters: 11.235; 17.6516; 13.4798; 90; 96.269; 90;  

COD ID: 1550101
CIF file Formula: - C31 H34 N2 O7 -
Comments: Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ 5(6) (2018)
Space group: P 1 21/c 1
Cell volume: 2694.4
Cell parameters: 11.3258; 17.8349; 13.4077; 90; 95.8; 90;  

COD ID: 1550102
CIF file Formula: - C31 H34 N2 O7 -
Comments: Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ 5(6) (2018)
Space group: P 1 21/c 1
Cell volume: 2693.4
Cell parameters: 10.843; 17.862; 13.913; 90; 91.715; 90;  

COD ID: 1550103
CIF file Formula: - C31 H34 N2 O7 -
Comments: Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ 5(6) (2018)
Space group: P 1 21 1
Cell volume: 2756.88
Cell parameters: 11.4733; 17.6286; 13.653; 90; 93.29; 90;  

COD ID: 1550104
CIF file Formula: - C31 H34 N2 O5.9 -
Comments: Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ 5(6) (2018)
Space group: P 1 21/c 1
Cell volume: 2589.1
Cell parameters: 11.197; 17.627; 13.199; 90; 96.347; 90;  

COD ID: 1550105
CIF file Formula: - C31 H34.42 N2 O6.42 -
Comments: Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ 5(6) (2018)
Space group: P 1 21/c 1
Cell volume: 2696.4
Cell parameters: 11.282; 17.856; 13.46; 90; 96.06; 90;  

COD ID: 1550106
CIF file Formula: - C62 H67.84 N4 O11.72 -
Comments: Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ 5(6) (2018)
Space group: P 1 21 1
Cell volume: 2635
Cell parameters: 11.346; 17.508; 13.4; 90; 98.15; 90;  

COD ID: 1550107
CIF file Formula: - C31 H34 N2 O6.51 -
Comments: Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ 5(6) (2018)
Space group: P 1 21/c 1
Cell volume: 2619.1
Cell parameters: 11.253; 17.66; 13.247; 90; 95.787; 90;  

COD ID: 1550108
CIF file Formula: - C31 H34.55 N2 O6.14 -
Comments: Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ 5(6) (2018)
Space group: P 1 21/c 1
Cell volume: 2606.5
Cell parameters: 11.176; 17.608; 13.305; 90; 95.426; 90;  

COD ID: 1550109
CIF file Formula: - C31 H34 N2 O6.47 -
Comments: Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ 5(6) (2018)
Space group: P 1 21/c 1
Cell volume: 2663
Cell parameters: 11.487; 17.514; 13.31; 90; 95.95; 90;  

COD ID: 1550110
CIF file Formula: - C31 H34 N2 O7 -
Comments: Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ 5(6) (2018)
Space group: P 1 21/c 1
Cell volume: 2656
Cell parameters: 11.195; 17.69; 13.449; 90; 94.4; 90;  

COD ID: 1550111
CIF file Formula: - C31 H33 N2 O7 -
Comments: Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ 5(6) (2018)
Space group: P 1 21/c 1
Cell volume: 2676
Cell parameters: 11.475; 17.669; 13.248; 90; 94.87; 90;  

COD ID: 1550112
CIF file Formula: - C31 H34.12 N2 O6.33 -
Comments: Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ 5(6) (2018)
Space group: P 1 21/c 1
Cell volume: 2692.5
Cell parameters: 11.296; 17.807; 13.459; 90; 95.99; 90;  

COD ID: 1550113
CIF file Formula: - C31 H34 N2 O6.17 -
Comments: Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ 5(6) (2018)
Space group: P 1 21/c 1
Cell volume: 2648
Cell parameters: 11.199; 17.71; 13.4; 90; 94.85; 90;  

COD ID: 1550114
CIF file Formula: - C31 H34 N2 O6.27 -
Comments: Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ 5(6) (2018)
Space group: P 1 21/c 1
Cell volume: 2705.2
Cell parameters: 11.369; 17.66; 13.539; 90; 95.632; 90;  

COD ID: 1550115
CIF file Formula: - C31 H34 N2 O6.46 -
Comments: Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ 5(6) (2018)
Space group: P 1 21/c 1
Cell volume: 2632
Cell parameters: 11.102; 17.701; 13.437; 90; 94.667; 90;  

COD ID: 1550116
CIF file Formula: - C31 H34 N2 O6.4 -
Comments: Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ 5(6) (2018)
Space group: P 1 21/c 1
Cell volume: 2733.1
Cell parameters: 11.41; 17.772; 13.55; 90; 95.891; 90;  

COD ID: 1550117
CIF file Formula: - C31 H34 N2 O6.81 -
Comments: Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ 5(6) (2018)
Space group: P 1 21/c 1
Cell volume: 2721.99
Cell parameters: 11.405; 17.746; 13.511; 90; 95.49; 90;  

COD ID: 1550118
CIF file Formula: - C62 H68.91 N4 O13.03 -
Comments: Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ 5(6) (2018)
Space group: P 1 21 1
Cell volume: 2671
Cell parameters: 11.246; 17.607; 13.523; 90; 94.19; 90;  

COD ID: 1550119
CIF file Formula: - C31 H34 N2 O7 -
Comments: Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ 5(6) (2018)
Space group: P 1 21/c 1
Cell volume: 2672.4
Cell parameters: 11.319; 17.672; 13.391; 90; 93.9; 90;  

COD ID: 1550120
CIF file Formula: - C31.1 H33.33 N2 O6.35 -
Comments: Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ 5(6) (2018)
Space group: P 1 21/c 1
Cell volume: 2621.8
Cell parameters: 11.153; 17.701; 13.336; 90; 95.232; 90;  

COD ID: 1550121
CIF file Formula: - C31 H34 N2 O6.69 -
Comments: Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ 5(6) (2018)
Space group: P 1 21/c 1
Cell volume: 2649
Cell parameters: 11.404; 17.591; 13.269; 90; 95.526; 90;  

COD ID: 1550122
CIF file Formula: - C62 H67.8 N4 O12.63 -
Comments: Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ 5(6) (2018)
Space group: P 1 21 1
Cell volume: 2632.2
Cell parameters: 11.237; 17.571; 13.374; 90; 94.584; 90;  

COD ID: 1550123
CIF file Formula: - C31 H34 N2 O6.49 -
Comments: Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ 5(6) (2018)
Space group: P 1 21/c 1
Cell volume: 2652
Cell parameters: 11.279; 17.633; 13.377; 90; 94.51; 90;  

COD ID: 1550124
CIF file Formula: - C31 H34 N2 O8 -
Comments: Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ 5(6) (2018)
Space group: P 1 21/c 1
Cell volume: 2770.9
Cell parameters: 11.074; 17.895; 14; 90; 92.859; 90;  

COD ID: 1550146
CIF file

Original IUCr paper

 Formula: - C16 H14 O3 -
Comments: Pawledzio, Sylwia; Makal, Anna; Trzybiński, Damian; Woźniak, Krzysztof Crystal structure, interaction energies and experimental electron density of the popular drug ketoprophen IUCrJ 5(6) (2018)
Space group: P -1
Cell volume: 633.49
Cell parameters: 6.0671; 7.5611; 13.8523; 92.078; 93.838; 90.994;  

COD ID: 1550147
CIF file Formula: - C16 H14 O3 -
Comments: Pawledzio, Sylwia; Makal, Anna; Trzybiński, Damian; Woźniak, Krzysztof Crystal structure, interaction energies and experimental electron density of the popular drug ketoprophen IUCrJ 5(6) (2018)
Space group: P 21 21 21
Cell volume: 2505.2
Cell parameters: 6.113; 7.3809; 55.524; 90; 90; 90;  

COD ID: 1550148
CIF file Formula: - C16 H14 O3 -
Comments: Pawledzio, Sylwia; Makal, Anna; Trzybiński, Damian; Woźniak, Krzysztof Crystal structure, interaction energies and experimental electron density of the popular drug ketoprophen IUCrJ 5(6) (2018)
Space group: P 21 21 21
Cell volume: 2505.2
Cell parameters: 6.113; 7.3809; 55.524; 90; 90; 90;  

COD ID: 1556756
CIF file Formula: - Ni Se5 Ta2 -
Comments: Nakano, Akitoshi; Sugawara, Kento; Tamura, Shinya; Katayama, Naoyuki; Matsubayashi, Kazuyuki; Okada, Taku; Uwatoko, Yoshiya; Munakata, Kouji; Nakao, Akiko; Sagayama, Hajime; Kumai, Reiji; Sugimoto, Kunihisa; Maejima, Naoyuki; Machida, Akihiko; Watanuki, Tetsu; Sawa, Hiroshi Pressure-induced coherent sliding-layer transition in the excitonic insulator Ta<sub>2</sub>NiSe<sub>5</sub>. IUCrJ 5(Pt 2) (2018) 158-165
Space group: C m c m
Cell volume: 706.74
Cell parameters: 3.5029; 12.8699; 15.6768; 90; 90; 90;  

COD ID: 1556757
CIF file Formula: - Ni Se5 Ta2 -
Comments: Nakano, Akitoshi; Sugawara, Kento; Tamura, Shinya; Katayama, Naoyuki; Matsubayashi, Kazuyuki; Okada, Taku; Uwatoko, Yoshiya; Munakata, Kouji; Nakao, Akiko; Sagayama, Hajime; Kumai, Reiji; Sugimoto, Kunihisa; Maejima, Naoyuki; Machida, Akihiko; Watanuki, Tetsu; Sawa, Hiroshi Pressure-induced coherent sliding-layer transition in the excitonic insulator Ta<sub>2</sub>NiSe<sub>5</sub>. IUCrJ 5(Pt 2) (2018) 158-165
Space group: C m c m
Cell volume: 656.96
Cell parameters: 3.4375; 12.375; 15.4437; 90; 90; 90;  

COD ID: 1556758
CIF file Formula: - Ni Se5 Ta2 -
Comments: Nakano, Akitoshi; Sugawara, Kento; Tamura, Shinya; Katayama, Naoyuki; Matsubayashi, Kazuyuki; Okada, Taku; Uwatoko, Yoshiya; Munakata, Kouji; Nakao, Akiko; Sagayama, Hajime; Kumai, Reiji; Sugimoto, Kunihisa; Maejima, Naoyuki; Machida, Akihiko; Watanuki, Tetsu; Sawa, Hiroshi Pressure-induced coherent sliding-layer transition in the excitonic insulator Ta<sub>2</sub>NiSe<sub>5</sub>. IUCrJ 5(Pt 2) (2018) 158-165
Space group: P m n m :2
Cell volume: 312.48
Cell parameters: 3.437; 5.861; 15.512; 90; 90; 90;  

COD ID: 1556759
CIF file Formula: - Ni Se5 Ta2 -
Comments: Nakano, Akitoshi; Sugawara, Kento; Tamura, Shinya; Katayama, Naoyuki; Matsubayashi, Kazuyuki; Okada, Taku; Uwatoko, Yoshiya; Munakata, Kouji; Nakao, Akiko; Sagayama, Hajime; Kumai, Reiji; Sugimoto, Kunihisa; Maejima, Naoyuki; Machida, Akihiko; Watanuki, Tetsu; Sawa, Hiroshi Pressure-induced coherent sliding-layer transition in the excitonic insulator Ta<sub>2</sub>NiSe<sub>5</sub>. IUCrJ 5(Pt 2) (2018) 158-165
Space group: P 1 2/n 1
Cell volume: 311.8
Cell parameters: 3.437; 5.849; 15.512; 90; 90.53; 90;  

COD ID: 1556829
CIF file Formula: - C30 H29 Cl2 Cu2 I2 N O2 S2 -
Comments: Park, In-Hyeok; Kang, Yunji; Lee, Eunji; Ju, Huiyeong; Kim, Seulgi; Seo, Sujin; Jung, Jong Hwa; Lee, Shim Sung Snapshot and crystallographic observations of kinetic and thermodynamic products for NO<sub>2</sub>S<sub>2</sub> macrocyclic complexes. IUCrJ 5(Pt 1) (2018) 45-53
Space group: P -1
Cell volume: 1643.38
Cell parameters: 11.7925; 11.9665; 13.4375; 93.29; 95.681; 118.683;  

COD ID: 1556830
CIF file Formula: - C29 H27 Cd2 I4 N O2 S2 -
Comments: Park, In-Hyeok; Kang, Yunji; Lee, Eunji; Ju, Huiyeong; Kim, Seulgi; Seo, Sujin; Jung, Jong Hwa; Lee, Shim Sung Snapshot and crystallographic observations of kinetic and thermodynamic products for NO<sub>2</sub>S<sub>2</sub> macrocyclic complexes. IUCrJ 5(Pt 1) (2018) 45-53
Space group: C 1 2/c 1
Cell volume: 8248.6
Cell parameters: 23.3017; 13.4569; 26.9935; 90; 102.963; 90;  

COD ID: 1556831
CIF file Formula: - C58 H54 Cd4 I8 N2 O4 S4 -
Comments: Park, In-Hyeok; Kang, Yunji; Lee, Eunji; Ju, Huiyeong; Kim, Seulgi; Seo, Sujin; Jung, Jong Hwa; Lee, Shim Sung Snapshot and crystallographic observations of kinetic and thermodynamic products for NO<sub>2</sub>S<sub>2</sub> macrocyclic complexes. IUCrJ 5(Pt 1) (2018) 45-53
Space group: P -1
Cell volume: 1719.2
Cell parameters: 11.66; 12.147; 12.585; 75.142; 87.056; 86.996;  

COD ID: 1556832
CIF file Formula: - C116 H106 Cd8 I16 N4 O8 S8 -
Comments: Park, In-Hyeok; Kang, Yunji; Lee, Eunji; Ju, Huiyeong; Kim, Seulgi; Seo, Sujin; Jung, Jong Hwa; Lee, Shim Sung Snapshot and crystallographic observations of kinetic and thermodynamic products for NO<sub>2</sub>S<sub>2</sub> macrocyclic complexes. IUCrJ 5(Pt 1) (2018) 45-53
Space group: P -1
Cell volume: 3656.5
Cell parameters: 11.3166; 13.4404; 24.586; 86.655; 89.396; 78.371;  

COD ID: 1556833
CIF file Formula: - C29 H27 Cd Cu I3 N O2 S2 -
Comments: Park, In-Hyeok; Kang, Yunji; Lee, Eunji; Ju, Huiyeong; Kim, Seulgi; Seo, Sujin; Jung, Jong Hwa; Lee, Shim Sung Snapshot and crystallographic observations of kinetic and thermodynamic products for NO<sub>2</sub>S<sub>2</sub> macrocyclic complexes. IUCrJ 5(Pt 1) (2018) 45-53
Space group: P -1
Cell volume: 1680.04
Cell parameters: 8.9645; 14.4098; 14.8826; 65.853; 73.386; 81.546;  

COD ID: 1556834
CIF file Formula: - C0.26 Na0.01 O2 Si -
Comments: Scheidl, K. S.; Effenberger, H. S.; Yagi, T.; Momma, K.; Miletich, Ronald The hydrocarbon-bearing clathrasil chibaite and its host-guest structure at low temperature. IUCrJ 5(Pt 5) (2018) 595-607
Space group: F d -3 m :2
Cell volume: 7348.9
Cell parameters: 19.442; 19.442; 19.442; 90; 90; 90;  

COD ID: 1556835
CIF file Formula: - C0.26 Na0.01 O2 Si -
Comments: Scheidl, K. S.; Effenberger, H. S.; Yagi, T.; Momma, K.; Miletich, Ronald The hydrocarbon-bearing clathrasil chibaite and its host-guest structure at low temperature. IUCrJ 5(Pt 5) (2018) 595-607
Space group: F d -3 m :2
Cell volume: 7325.6
Cell parameters: 19.4214; 19.4214; 19.4214; 90; 90; 90;  

COD ID: 1556836
CIF file Formula: - C0.58 Na0.02 O4.53 Si2.27 -
Comments: Scheidl, K. S.; Effenberger, H. S.; Yagi, T.; Momma, K.; Miletich, Ronald The hydrocarbon-bearing clathrasil chibaite and its host-guest structure at low temperature. IUCrJ 5(Pt 5) (2018) 595-607
Space group: A 1 2/n 1
Cell volume: 7324
Cell parameters: 23.7844; 13.732; 23.784; 90; 109.47; 90;  

COD ID: 1556837
CIF file Formula: - C0.26 Na0.01 O2 Si -
Comments: Scheidl, K. S.; Effenberger, H. S.; Yagi, T.; Momma, K.; Miletich, Ronald The hydrocarbon-bearing clathrasil chibaite and its host-guest structure at low temperature. IUCrJ 5(Pt 5) (2018) 595-607
Space group: F d -3 m :2
Cell volume: 7323.9
Cell parameters: 19.4199; 19.4199; 19.4199; 90; 90; 90;  

COD ID: 1556838
CIF file Formula: - C0.58 Na0.02 O4.53 Si2.27 -
Comments: Scheidl, K. S.; Effenberger, H. S.; Yagi, T.; Momma, K.; Miletich, Ronald The hydrocarbon-bearing clathrasil chibaite and its host-guest structure at low temperature. IUCrJ 5(Pt 5) (2018) 595-607
Space group: A 1 2/n 1
Cell volume: 7369
Cell parameters: 23.834; 13.76; 23.833; 90; 109.47; 90;  

COD ID: 1556839
CIF file Formula: - C0.26 Na0.01 O2 Si -
Comments: Scheidl, K. S.; Effenberger, H. S.; Yagi, T.; Momma, K.; Miletich, Ronald The hydrocarbon-bearing clathrasil chibaite and its host-guest structure at low temperature. IUCrJ 5(Pt 5) (2018) 595-607
Space group: F d -3 m :2
Cell volume: 7295.1
Cell parameters: 19.3944; 19.3944; 19.3944; 90; 90; 90;  

COD ID: 1556840
CIF file Formula: - C0.58 Na0.02 O4.53 Si2.27 -
Comments: Scheidl, K. S.; Effenberger, H. S.; Yagi, T.; Momma, K.; Miletich, Ronald The hydrocarbon-bearing clathrasil chibaite and its host-guest structure at low temperature. IUCrJ 5(Pt 5) (2018) 595-607
Space group: A 1 2/n 1
Cell volume: 7369
Cell parameters: 23.834; 13.76; 23.833; 90; 109.47; 90;  

COD ID: 1556841
CIF file Formula: - C0.26 Na0.01 O2 Si -
Comments: Scheidl, K. S.; Effenberger, H. S.; Yagi, T.; Momma, K.; Miletich, Ronald The hydrocarbon-bearing clathrasil chibaite and its host-guest structure at low temperature. IUCrJ 5(Pt 5) (2018) 595-607
Space group: F d -3 m :2
Cell volume: 7295.1
Cell parameters: 19.3944; 19.3944; 19.3944; 90; 90; 90;  

COD ID: 1556842
CIF file Formula: - C0.58 Na0.02 O4.53 Si2.27 -
Comments: Scheidl, K. S.; Effenberger, H. S.; Yagi, T.; Momma, K.; Miletich, Ronald The hydrocarbon-bearing clathrasil chibaite and its host-guest structure at low temperature. IUCrJ 5(Pt 5) (2018) 595-607
Space group: A 1 2/n 1
Cell volume: 7251
Cell parameters: 23.7054; 13.6861; 23.7051; 90; 109.47; 90;  

COD ID: 1556843
CIF file Formula: - C0.26 Na0.01 O2 Si -
Comments: Scheidl, K. S.; Effenberger, H. S.; Yagi, T.; Momma, K.; Miletich, Ronald The hydrocarbon-bearing clathrasil chibaite and its host-guest structure at low temperature. IUCrJ 5(Pt 5) (2018) 595-607
Space group: F d -3 m :2
Cell volume: 7295.1
Cell parameters: 19.3944; 19.3944; 19.3944; 90; 90; 90;  


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