Crystallography Open Database
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Result : There are 135 entries in the selection
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Searching space group like 'P m n a'
| COD ID: 1005004 | |
| CIF file | Formula: - Fe Nb Te2 - Comments: Li, J; Badding, M E; DiSalvo, F J New layered ternary niobium tellurides: synthesis, structure and properties of NbMTe~2~ (M=Fe, Co) Inorganic Chemistry 31 (1992) 1050-1054 Space group: P m n a Cell volume: 358 Cell parameters: 7.922; 7.239; 6.243; 90; 90; 90; |
| COD ID: 1510042 | |
| CIF file | Formula: - Ag3 Te2 Tl - Comments: Imamov, R.M.; Avilov, A.S.; Pinsker, Z.G. Crystal structure of Ag3 Tl Te2 Kristallografiya 17 (1972) 281-283 Space group: P m n a Cell volume: 338.293 Cell parameters: 4.6; 4.76; 15.45; 90; 90; 90; |
| COD ID: 1520226 | |
| CIF file | Formula: - C5 H11 Cl N6 - Comments: Xu, Jun; Yu, Hongde; Yang, Liulin; Wu, Guanglu; Wang, Zhiqiang; Wang, Dong; Zhang, Xi Self-assembling 1D core/shell microrods by the introduction of additives: a one-pot and shell-tunable method Chem. Sci. 6(8) (2015) 4907 Space group: P m n a Cell volume: 882.5 Cell parameters: 6.4782; 9.5193; 14.311; 90; 90; 90; |
| COD ID: 1524480 | |
| CIF file | Formula: - Br Cu Se3 - Comments: Haendler, H.M.; Carkner, P.M.; Boudreau, S.M.; Boudreau, R.A. The crystal structure of copper bromide triselenide, Cu Br Se Journal of Solid State Chemistry 29 (1979) 35-39 Space group: P m n a Cell volume: 496.093 Cell parameters: 14.363; 4.488; 7.696; 90; 90; 90; |
| COD ID: 1527348 | |
| CIF file | Formula: - Cl2 Cu H4 O2 - Comments: Engberg, A. An X-Ray refinement of the crystal structure of copper(II) chloride dihydrate Acta Chemica Scandinavica (1-27,1973-42,1988) 24 (1970) 3510-3526 Space group: P m n a Cell volume: 226.311 Cell parameters: 8.104; 3.757; 7.433; 90; 90; 90; |
| COD ID: 1530590 | |
| CIF file | Formula: - Sb2 Se4 Tl2 - Comments: Pinsker, Z.G.; Semiletov, S.A.; Belova, E.N. The electron diffraction determination of the structure of Tl2 Sb2 Se4 Doklady Akademii Nauk SSSR 106 (1956) 1003-1006 Space group: P m n a Cell volume: 225.72 Cell parameters: 4.18; 4.5; 12; 90; 90; 90; |
| COD ID: 1530591 | |
| CIF file | Formula: - As0.5 Sb1.5 Se4 Tl2 - Comments: Pinsker, Z.G.; Khitrova, V.I. The structural analysis of some quaternary alloys Tl-Sb-As-Se Kristallografiya 1 (1956) 300-305 Space group: P m n a Cell volume: 220.315 Cell parameters: 4.15; 4.48; 11.85; 90; 90; 90; |
| COD ID: 1530592 | |
| CIF file | Formula: - As1.5 Sb0.5 Se4 Tl2 - Comments: Pinsker, Z.G.; Khitrova, V.I. The structural analysis of some quaternary alloys Tl-Sb-As-Se Kristallografiya 1 (1956) 300-305 Space group: P m n a Cell volume: 204.154 Cell parameters: 3.99; 4.43; 11.55; 90; 90; 90; |
| COD ID: 1532971 | |
| CIF file | Formula: - C0.63 Fe4 - Comments: Nagakura, Sigemaro; Toyoshima, Michiko Crystal structure and morphology of the ordered phase in iron-carbon martensite Transactions of the Japan Institute of Metals 20(3) (1979) 100-110 Space group: P m n a Cell volume: 589.395 Cell parameters: 4.009; 4.009; 36.672; 90; 90; 90; |
| COD ID: 1534766 | |
| CIF file | Formula: - H8 Li3 N6 O16 Rh - Comments: Gromilov, S.A.; Baidina, I.A.; Khranenko, S.P.; Alekseev, V.I.; Belyaev, A.V. Synthesis and crystal structure of Li3 (Rh (N O2)6) .4(H2 O) Zhurnal Neorganicheskoi Khimii 39 (1994) 109-111 Space group: P m n a Cell volume: 862.683 Cell parameters: 10.098; 7.036; 12.142; 90; 90; 90; |
| COD ID: 1535970 | |
| CIF file | Formula: - Cl3 Eu3 Li O4 Si - Comments: Jacobsen, H.; Meyer, G. Zwei neue Silicat-Chloride mit zweiwertigem Europium: LiEu3(SiO4)Cl3 und Li7Eu8(SiO4)4Cl7 Zeitschrift fuer Anorganische und Allgemeine Chemie 620 (1994) 1351-1356 Space group: P m n a Cell volume: 906.178 Cell parameters: 9.4695; 6.9952; 13.68; 90; 90; 90; |
| COD ID: 1536082 | |
| CIF file | Formula: - Cl6 H6 Hg3 N2 - Comments: Nockemann, P.; Meyer, G. Zwei Mercuri-Ammin-Komplexe: (Hg (N H3)2) (Hg Cl3)2 und (Hg (N H3)4) (Cl O4)2 Zeitschrift fuer Anorganische und Allgemeine Chemie 629 (2003) 123-128 Space group: P m n a Cell volume: 588.936 Cell parameters: 5.9188; 8.0031; 12.433; 90; 90; 90; |
| COD ID: 1536413 | |
| CIF file | Formula: - K3 O6 P3 S2.5 - Comments: Palkina, K.K.; Maksimova, S.I.; Chibiskova, N.T.; Pautina, M.S.; Kuvshinova, T.B.; Volf, G.U. Structure of trithiocyclotriphosphates of potassium and cesium. Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy 28 (1992) 1486-1490 Space group: P m n a Cell volume: 1210.73 Cell parameters: 8.013; 11.088; 13.627; 90; 90; 90; |
| COD ID: 1539364 | |
| CIF file | Formula: - F7 H4 N Sn Zr - Comments: Tkachenko, I.A.; Gerasimenko, A.V.; Sergienko, V.I.; Merkulov, E.B.; Kavun, V.Ya.; Uvarov, N.F. Synthesis, structure, internal mobility, and ionic conductivity in N H4 Sn Zr F7 and K Sn Zr F7 Zhurnal Neorganicheskoi Khimii 49 (2004) 1322-1330 Space group: P m n a Cell volume: 653.455 Cell parameters: 8.4308; 6.1189; 12.667; 90; 90; 90; |
| COD ID: 1539366 | |
| CIF file | Formula: - F7 K Sn Zr - Comments: Tkachenko, I.A.; Gerasimenko, A.V.; Sergienko, V.I.; Kavun, V.Ya.; Merkulov, E.B.; Uvarov, N.F. Synthesis, structure, internal mobility, and ionic conductivity in N H4 Sn Zr F7 and K Sn Zr F7 Zhurnal Neorganicheskoi Khimii 49 (2004) 1322-1330 Space group: P m n a Cell volume: 620.147 Cell parameters: 8.375; 5.939; 12.468; 90; 90; 90; |
| COD ID: 1539613 | |
| CIF file | Formula: - Ag3 Te2 Tl - Comments: Avilov, A.S.; Pinsker, Z.G.; Imamov, R.M. Crystal structure of Ag3 Tl Te2 Soviet Physics, Crystallography (= Kristallografiya) 17 (1972) 237-239 Space group: P m n a Cell volume: 338.293 Cell parameters: 4.6; 4.76; 15.45; 90; 90; 90; |
| COD ID: 1544601 | |
| CIF file | Formula: - Al1.84 Ca2 Fe0.16 H2 O12 Si3 - Comments: Akasaka, M.; Hashimoto, H.; Makino, K.; Hino, R. 57Fe Mossbauer and X-ray Rietveld studies of ferrian prehnite from Kouragahara, Shimane Peninsula, Japan : Model Pmna Journal of Mineralogical and Petrological Sciences 98 (2003) 31-40 Space group: P m n a Cell volume: 469.1 Cell parameters: 18.487; 4.6302; 5.4802; 90; 90; 90; |
| COD ID: 1557470 | |
| CIF file | Formula: - C2 H22.35 Al1.06 Ca0.05 Dy0.16 Er0.15 F0.65 Gd0.07 O22.35 Pb0.02 Sm0.01 Y3.41 Yb0.09 - Comments: Biagioni, C.; Bonaccorsi, E.; Camara, F.; Cadoni, M.; Ciriotti, M.E.; Bersani, D.; Kolitsch, U. Lusernaite-(Y), Y4Al(CO3)2(OH,F)11*6H2O, a new mineral species from Luserna Valley, Piedmont, Italy: Description and crystal structure American Mineralogist 98 (2013) 1322-1329 Space group: P m n a Cell volume: 984.96 Cell parameters: 7.8412; 11.0313; 11.387; 90; 90; 90; |
| COD ID: 1560872 | |
| CIF file | Formula: - Gd O14 P5 - Comments: Cramer, Alisha J.; Cole, Jacqueline M. Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14 Journal of Solid State Chemistry 266 (2018) 250-257 Space group: P m n a Cell volume: 1005 Cell parameters: 12.909; 8.759; 8.888; 90; 90; 90; |
| COD ID: 1560874 | |
| CIF file | Formula: - Gd O14 P5 - Comments: Cramer, Alisha J.; Cole, Jacqueline M. Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14 Journal of Solid State Chemistry 266 (2018) 250-257 Space group: P m n a Cell volume: 1003.3 Cell parameters: 12.925; 8.736; 8.886; 90; 90; 90; |
| COD ID: 1560876 | |
| CIF file | Formula: - Gd O14 P5 - Comments: Cramer, Alisha J.; Cole, Jacqueline M. Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14 Journal of Solid State Chemistry 266 (2018) 250-257 Space group: P m n a Cell volume: 1009.8 Cell parameters: 12.969; 8.727; 8.922; 90; 90; 90; |
| COD ID: 1560879 | |
| CIF file | Formula: - Gd O14 P5 - Comments: Cramer, Alisha J.; Cole, Jacqueline M. Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14 Journal of Solid State Chemistry 266 (2018) 250-257 Space group: P m n a Cell volume: 1005.9 Cell parameters: 12.944; 8.716; 8.916; 90; 90; 90; |
| COD ID: 1560880 | |
| CIF file | Formula: - Gd O14 P5 - Comments: Cramer, Alisha J.; Cole, Jacqueline M. Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14 Journal of Solid State Chemistry 266 (2018) 250-257 Space group: P m n a Cell volume: 1014.9 Cell parameters: 12.991; 8.741; 8.938; 90; 90; 90; |
| COD ID: 1560883 | |
| CIF file | Formula: - Gd O14 P5 - Comments: Cramer, Alisha J.; Cole, Jacqueline M. Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14 Journal of Solid State Chemistry 266 (2018) 250-257 Space group: P m n a Cell volume: 1008.4 Cell parameters: 12.958; 8.723; 8.921; 90; 90; 90; |
| COD ID: 1560884 | |
| CIF file | Formula: - Gd O14 P5 - Comments: Cramer, Alisha J.; Cole, Jacqueline M. Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14 Journal of Solid State Chemistry 266 (2018) 250-257 Space group: P m n a Cell volume: 1016.4 Cell parameters: 12.998; 8.743; 8.944; 90; 90; 90; |
| COD ID: 1560887 | |
| CIF file | Formula: - Gd O14 P5 - Comments: Cramer, Alisha J.; Cole, Jacqueline M. Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14 Journal of Solid State Chemistry 266 (2018) 250-257 Space group: P m n a Cell volume: 1008.4 Cell parameters: 12.961; 8.718; 8.9242; 90; 90; 90; |
| COD ID: 1560888 | |
| CIF file | Formula: - Gd O14 P5 - Comments: Cramer, Alisha J.; Cole, Jacqueline M. Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14 Journal of Solid State Chemistry 266 (2018) 250-257 Space group: P m n a Cell volume: 1013.5 Cell parameters: 12.979; 8.75; 8.924; 90; 90; 90; |
| COD ID: 1560891 | |
| CIF file | Formula: - Gd O14 P5 - Comments: Cramer, Alisha J.; Cole, Jacqueline M. Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14 Journal of Solid State Chemistry 266 (2018) 250-257 Space group: P m n a Cell volume: 1008.5 Cell parameters: 12.962; 8.716; 8.927; 90; 90; 90; |
| COD ID: 1560892 | |
| CIF file | Formula: - Gd O14 P5 - Comments: Cramer, Alisha J.; Cole, Jacqueline M. Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14 Journal of Solid State Chemistry 266 (2018) 250-257 Space group: P m n a Cell volume: 1016.2 Cell parameters: 13.003; 8.737; 8.945; 90; 90; 90; |
| COD ID: 1560894 | |
| CIF file | Formula: - Gd O14 P5 - Comments: Cramer, Alisha J.; Cole, Jacqueline M. Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14 Journal of Solid State Chemistry 266 (2018) 250-257 Space group: P m n a Cell volume: 1007.8 Cell parameters: 12.962; 8.71; 8.927; 90; 90; 90; |
| COD ID: 1560896 | |
| CIF file | Formula: - Gd O14 P5 - Comments: Cramer, Alisha J.; Cole, Jacqueline M. Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14 Journal of Solid State Chemistry 266 (2018) 250-257 Space group: P m n a Cell volume: 1007.1 Cell parameters: 12.898; 8.765; 8.908; 90; 90; 90; |
| COD ID: 1560898 | |
| CIF file | Formula: - Gd O14 P5 - Comments: Cramer, Alisha J.; Cole, Jacqueline M. Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14 Journal of Solid State Chemistry 266 (2018) 250-257 Space group: P m n a Cell volume: 1013.8 Cell parameters: 12.989; 8.727; 8.944; 90; 90; 90; |
| COD ID: 1560900 | |
| CIF file | Formula: - Gd O14 P5 - Comments: Cramer, Alisha J.; Cole, Jacqueline M. Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14 Journal of Solid State Chemistry 266 (2018) 250-257 Space group: P m n a Cell volume: 1030.3 Cell parameters: 13.064; 8.7705; 8.9925; 90; 90; 90; |
| COD ID: 1560903 | |
| CIF file | Formula: - Gd O14 P5 - Comments: Cramer, Alisha J.; Cole, Jacqueline M. Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14 Journal of Solid State Chemistry 266 (2018) 250-257 Space group: P m n a Cell volume: 1019.2 Cell parameters: 13.009; 8.739; 8.965; 90; 90; 90; |
| COD ID: 1560904 | |
| CIF file | Formula: - Gd O14 P5 - Comments: Cramer, Alisha J.; Cole, Jacqueline M. Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14 Journal of Solid State Chemistry 266 (2018) 250-257 Space group: P m n a Cell volume: 1011.6 Cell parameters: 12.988; 8.713; 8.939; 90; 90; 90; |
| COD ID: 1560907 | |
| CIF file | Formula: - Gd O14 P5 - Comments: Cramer, Alisha J.; Cole, Jacqueline M. Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14 Journal of Solid State Chemistry 266 (2018) 250-257 Space group: P m n a Cell volume: 1015.7 Cell parameters: 13.004; 8.726; 8.951; 90; 90; 90; |
| COD ID: 1560908 | |
| CIF file | Formula: - Gd O14 P5 - Comments: Cramer, Alisha J.; Cole, Jacqueline M. Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14 Journal of Solid State Chemistry 266 (2018) 250-257 Space group: P m n a Cell volume: 1015.7 Cell parameters: 13.009; 8.72; 8.954; 90; 90; 90; |
| COD ID: 1560910 | |
| CIF file | Formula: - Gd O14 P5 - Comments: Cramer, Alisha J.; Cole, Jacqueline M. Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14 Journal of Solid State Chemistry 266 (2018) 250-257 Space group: P m n a Cell volume: 1010.5 Cell parameters: 12.98; 8.712; 8.936; 90; 90; 90; |
| COD ID: 1560913 | |
| CIF file | Formula: - Gd O14 P5 - Comments: Cramer, Alisha J.; Cole, Jacqueline M. Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14 Journal of Solid State Chemistry 266 (2018) 250-257 Space group: P m n a Cell volume: 1005.1 Cell parameters: 12.86; 8.782; 8.9; 90; 90; 90; |
| COD ID: 1560915 | |
| CIF file | Formula: - Gd O14 P5 - Comments: Cramer, Alisha J.; Cole, Jacqueline M. Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14 Journal of Solid State Chemistry 266 (2018) 250-257 Space group: P m n a Cell volume: 1018.2 Cell parameters: 13.016; 8.722; 8.969; 90; 90; 90; |
| COD ID: 1560917 | |
| CIF file | Formula: - Gd O14 P5 - Comments: Cramer, Alisha J.; Cole, Jacqueline M. Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14 Journal of Solid State Chemistry 266 (2018) 250-257 Space group: P m n a Cell volume: 1006.6 Cell parameters: 12.86; 8.788; 8.907; 90; 90; 90; |
| COD ID: 1560918 | |
| CIF file | Formula: - Gd O14 P5 - Comments: Cramer, Alisha J.; Cole, Jacqueline M. Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14 Journal of Solid State Chemistry 266 (2018) 250-257 Space group: P m n a Cell volume: 1014.2 Cell parameters: 13; 8.708; 8.959; 90; 90; 90; |
| COD ID: 1560921 | |
| CIF file | Formula: - Gd O14 P5 - Comments: Cramer, Alisha J.; Cole, Jacqueline M. Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14 Journal of Solid State Chemistry 266 (2018) 250-257 Space group: P m n a Cell volume: 1013.4 Cell parameters: 13; 8.704; 8.956; 90; 90; 90; |
| COD ID: 1560922 | |
| CIF file | Formula: - Gd O14 P5 - Comments: Cramer, Alisha J.; Cole, Jacqueline M. Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14 Journal of Solid State Chemistry 266 (2018) 250-257 Space group: P m n a Cell volume: 1010.2 Cell parameters: 12.98; 8.698; 8.948; 90; 90; 90; |
| COD ID: 1560924 | |
| CIF file | Formula: - Gd O14 P5 - Comments: Cramer, Alisha J.; Cole, Jacqueline M. Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14 Journal of Solid State Chemistry 266 (2018) 250-257 Space group: P m n a Cell volume: 1014.5 Cell parameters: 13.01; 8.703; 8.96; 90; 90; 90; |
| COD ID: 1560926 | |
| CIF file | Formula: - Gd O14 P5 - Comments: Cramer, Alisha J.; Cole, Jacqueline M. Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14 Journal of Solid State Chemistry 266 (2018) 250-257 Space group: P m n a Cell volume: 1005 Cell parameters: 12.85; 8.784; 8.904; 90; 90; 90; |
| COD ID: 1560928 | |
| CIF file | Formula: - Gd O14 P5 - Comments: Cramer, Alisha J.; Cole, Jacqueline M. Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14 Journal of Solid State Chemistry 266 (2018) 250-257 Space group: P m n a Cell volume: 1013.9 Cell parameters: 13; 8.708; 8.956; 90; 90; 90; |
| COD ID: 1560931 | |
| CIF file | Formula: - Gd O14 P5 - Comments: Cramer, Alisha J.; Cole, Jacqueline M. Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14 Journal of Solid State Chemistry 266 (2018) 250-257 Space group: P m n a Cell volume: 1008.9 Cell parameters: 12.878; 8.778; 8.925; 90; 90; 90; |
| COD ID: 1560966 | |
| CIF file | Formula: - Nd O14 P5 - Comments: Cramer, Alisha J.; Cole, Jacqueline M. Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14 Journal of Solid State Chemistry 266 (2018) 250-257 Space group: P m n a Cell volume: 1047 Cell parameters: 13.14; 8.84; 9.01; 90; 90; 90; |
| COD ID: 1560968 | |
| CIF file | Formula: - Nd O14 P5 - Comments: Cramer, Alisha J.; Cole, Jacqueline M. Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14 Journal of Solid State Chemistry 266 (2018) 250-257 Space group: P m n a Cell volume: 1021 Cell parameters: 12.95; 8.806; 8.95; 90; 90; 90; |
| COD ID: 1560971 | |
| CIF file | Formula: - Nd O14 P5 - Comments: Cramer, Alisha J.; Cole, Jacqueline M. Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14 Journal of Solid State Chemistry 266 (2018) 250-257 Space group: P m n a Cell volume: 1019 Cell parameters: 12.95; 8.756; 8.99; 90; 90; 90; |
| COD ID: 1560972 | |
| CIF file | Formula: - Nd O14 P5 - Comments: Cramer, Alisha J.; Cole, Jacqueline M. Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14 Journal of Solid State Chemistry 266 (2018) 250-257 Space group: P m n a Cell volume: 1017 Cell parameters: 12.944; 8.742; 8.987; 90; 90; 90; |
| COD ID: 1560974 | |
| CIF file | Formula: - Nd O14 P5 - Comments: Cramer, Alisha J.; Cole, Jacqueline M. Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14 Journal of Solid State Chemistry 266 (2018) 250-257 Space group: P m n a Cell volume: 1017 Cell parameters: 12.97; 8.83; 8.88; 90; 90; 90; |
| COD ID: 1560976 | |
| CIF file | Formula: - Nd O14 P5 - Comments: Cramer, Alisha J.; Cole, Jacqueline M. Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14 Journal of Solid State Chemistry 266 (2018) 250-257 Space group: P m n a Cell volume: 1046 Cell parameters: 13.107; 8.83; 9.038; 90; 90; 90; |
| COD ID: 1560978 | |
| CIF file | Formula: - Nd O14 P5 - Comments: Cramer, Alisha J.; Cole, Jacqueline M. Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14 Journal of Solid State Chemistry 266 (2018) 250-257 Space group: P m n a Cell volume: 1031 Cell parameters: 13.08; 8.759; 9.002; 90; 90; 90; |
| COD ID: 1560980 | |
| CIF file | Formula: - Nd O14 P5 - Comments: Cramer, Alisha J.; Cole, Jacqueline M. Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14 Journal of Solid State Chemistry 266 (2018) 250-257 Space group: P m n a Cell volume: 1020 Cell parameters: 12.98; 8.758; 8.976; 90; 90; 90; |
| COD ID: 1560982 | |
| CIF file | Formula: - Nd O14 P5 - Comments: Cramer, Alisha J.; Cole, Jacqueline M. Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14 Journal of Solid State Chemistry 266 (2018) 250-257 Space group: P m n a Cell volume: 1030.3 Cell parameters: 13.028; 8.778; 9.009; 90; 90; 90; |
| COD ID: 1561170 | |
| CIF file | Formula: - C2 Mn O4 - Comments: Puzan, Anna N.; Baumer, Vyacheslav N.; Lisovytskiy, Dmytro V.; Mateychenko, Pavel V. Structure disordering and thermal decomposition of manganese oxalate dihydrate, MnC2O4·2H2O Journal of Solid State Chemistry 260 (2018) 87-94 Space group: P m n a Cell volume: 378.191 Cell parameters: 7.1333; 5.8787; 9.0186; 90; 90; 90; |
| COD ID: 1568587 | |
| CIF file | Formula: - Cl2 Cu H4 O2 - Comments: Boeré, René T. Crystal Structures of CuCl2·2H2O (Eriochalcite) and NiCl2∙6H2O (Nickelbischofite) at Low Temperature: Full Refinement of Hydrogen Atoms Using Non-Spherical Atomic Scattering Factors Crystals 13(2) (2023) 293 Space group: P m n a Cell volume: 221.333 Cell parameters: 8.0553; 3.7295; 7.3674; 90; 90; 90; |
| COD ID: 1568588 | |
| CIF file | Formula: - Cl2 Cu H4 O2 - Comments: Boeré, René T. Crystal Structures of CuCl2·2H2O (Eriochalcite) and NiCl2∙6H2O (Nickelbischofite) at Low Temperature: Full Refinement of Hydrogen Atoms Using Non-Spherical Atomic Scattering Factors Crystals 13(2) (2023) 293 Space group: P m n a Cell volume: 220.32 Cell parameters: 8.0405; 3.7238; 7.3585; 90; 90; 90; |
| COD ID: 2008632 | |
| CIF file | Formula: - C12 H14 Cl4 N2 Ti - Comments: Hensen, Karl; Lemke, Alexander; Bolte, Michael Addition compounds of titanium tetrachloride with aromatic nitrogen bases Acta Crystallographica Section C 55(6) (1999) 863-867 Space group: P m n a Cell volume: 814.7 Cell parameters: 7.184; 8.014; 14.151; 90; 90; 90; |
| COD ID: 2010919 | |
| CIF file | Formula: - C12 H14 Cl4 N2 Si - Comments: Hensen, Karl; Mayr-Stein, Ralf; Spangenberg, Björn; Bolte, Michael Complexes of mixed silicon halides with 4-picoline Acta Crystallographica Section C 56(5) (2000) 610-613 Space group: P m n a Cell volume: 776.052 Cell parameters: 7.1766; 7.8911; 13.7036; 90; 90; 90; |
| COD ID: 2010920 | |
| CIF file | Formula: - C12 H14 Br Cl3 N2 Si - Comments: Hensen, Karl; Mayr-Stein, Ralf; Spangenberg, Björn; Bolte, Michael Complexes of mixed silicon halides with 4-picoline Acta Crystallographica Section C 56(5) (2000) 610-613 Space group: P m n a Cell volume: 774.69 Cell parameters: 7.177; 7.962; 13.557; 90; 90; 90; |
| COD ID: 2010921 | |
| CIF file | Formula: - C12 H14 Br2 Cl2 N2 Si - Comments: Hensen, Karl; Mayr-Stein, Ralf; Spangenberg, Björn; Bolte, Michael Complexes of mixed silicon halides with 4-picoline Acta Crystallographica Section C 56(5) (2000) 610-613 Space group: P m n a Cell volume: 797.3 Cell parameters: 7.252; 8.12; 13.54; 90; 90; 90; |
| COD ID: 2010922 | |
| CIF file | Formula: - C12 H14 Br3 Cl N2 Si - Comments: Hensen, Karl; Mayr-Stein, Ralf; Spangenberg, Björn; Bolte, Michael Complexes of mixed silicon halides with 4-picoline Acta Crystallographica Section C 56(5) (2000) 610-613 Space group: P m n a Cell volume: 807.07 Cell parameters: 7.296; 8.211; 13.472; 90; 90; 90; |
| COD ID: 2010923 | |
| CIF file | Formula: - C12 H14 Br4 N2 Si - Comments: Hensen, Karl; Mayr-Stein, Ralf; Spangenberg, Björn; Bolte, Michael Complexes of mixed silicon halides with 4-picoline Acta Crystallographica Section C 56(5) (2000) 610-613 Space group: P m n a Cell volume: 814.21 Cell parameters: 7.3298; 8.2819; 13.4126; 90; 90; 90; |
| COD ID: 2011552 | |
| CIF file | Formula: - C12 H14 Cl4 Ge N2 - Comments: Bolte, Michael; Hensen, Karl; Faber, Alexander <i>trans</i>-Tetrachlorobis(4-methylpyridine)germanium(IV) Acta Crystallographica Section C 56(11) (2000) e497-e498 Space group: P m n a Cell volume: 779.3 Cell parameters: 7.154; 7.933; 13.731; 90; 90; 90; |
| COD ID: 2011553 | |
| CIF file | Formula: - C12 H14 Br4 Ge N2 - Comments: Bolte, Michael; Hensen, Karl; Faber, Alexander Complexes of germanium bromides with 4-picoline and 3,4-lutidine Acta Crystallographica Section C 56(11) (2000) e499-e500 Space group: P m n a Cell volume: 834.4 Cell parameters: 7.36; 8.36; 13.561; 90; 90; 90; |
| COD ID: 2022954 | |
| CIF file | Formula: - C94.39 H164.78 Cl14.39 N26 Ni8 O6 - Comments: Al Isawi, Wisam A.; Zeller, Matthias; Mezei, Gellert An octanuclear nickel(II) pyrazolate cluster with a cubic Ni8 core and its methyl- and n-octyl-functionalized derivatives Acta Crystallographica Section E Crystallographic Communications 79(12) (2023) 1199-1206 Space group: P m n a Cell volume: 6429.3 Cell parameters: 30.39; 14.5762; 14.5141; 90; 90; 90; |
| COD ID: 2102526 | |
| CIF file | Formula: - C20 H44 Cl6 Mg3 O14 - Comments: Prof. Clemente Dore Augusto; Prof. Marzotto Armando 30 Space-group corrections: two examples of false polymorphism and one of incorrect interpretation of the fine details of an IR spectrum Acta Crystallographica Section B 60(3) (2004) 287-292 Space group: P m n a Cell volume: 1893.7 Cell parameters: 13.303; 7.835; 18.169; 90; 90; 90; |
| COD ID: 2213645 | |
| CIF file | Formula: - C19 H18 O3 - Comments: Xin-Qiao Liu; Wen-Yuan Gao 1,6,6-Trimethyl-6,7,8,9-tetrahydrophenanthro[1,2-<i>b</i>]furan-10,11-dione Acta Crystallographica Section E 63(6) (2007) o2831-o2831 Space group: P m n a Cell volume: 1462.8 Cell parameters: 6.5579; 9.1687; 24.328; 90; 90; 90; |
| COD ID: 2219773 | |
| CIF file | Formula: - Ce O14 P5 - Comments: Zhu, Jing; Cheng, Wen-Dan; Zhang, Hao An orthorhombic polymorph of cerium(III) ultraphosphate, CeP~5~O~14~ Acta Crystallographica Section E 64(11) (2008) i74 Space group: P m n a Cell volume: 1047.97 Cell parameters: 13.1252; 8.7991; 9.0741; 90; 90; 90; |
| COD ID: 4000503 | |
| CIF file | Formula: - B5 Er3 O12 - Comments: Emme, Holger; Valldor, Martin; Pöttgen, Rainer; Huppertz, Hubert Associating Borate and Silicate Chemistry by Extreme Conditions: High-Pressure Synthesis, Crystal Structure, and Properties of the New Borates RE~3~B~5~O~12~ (RE = Er–Lu) Chemistry of Materials 17(10) (2005) 2707-2715 Space group: P m n a Cell volume: 742.38 Cell parameters: 12.8458; 4.6186; 12.5128; 90; 90; 90; |
| COD ID: 4000576 | |
| CIF file | Formula: - B5 O12 Tm3 - Comments: Emme, Holger; Valldor, Martin; Pöttgen, Rainer; Huppertz, Hubert Associating Borate and Silicate Chemistry by Extreme Conditions: High-Pressure Synthesis, Crystal Structure, and Properties of the New Borates RE~3~B~5~O~12~ (RE = Er–Lu) Chemistry of Materials 17(10) (2005) 2707-2715 Space group: P m n a Cell volume: 736.1 Cell parameters: 12.82; 4.6019; 12.477; 90; 90; 90; |
| COD ID: 4000577 | |
| CIF file | Formula: - B5 O12 Yb3 - Comments: Emme, Holger; Valldor, Martin; Pöttgen, Rainer; Huppertz, Hubert Associating Borate and Silicate Chemistry by Extreme Conditions: High-Pressure Synthesis, Crystal Structure, and Properties of the New Borates RE~3~B~5~O~12~ (RE = Er–Lu) Chemistry of Materials 17(10) (2005) 2707-2715 Space group: P m n a Cell volume: 729.5 Cell parameters: 12.774; 4.5864; 12.451; 90; 90; 90; |
| COD ID: 4000578 | |
| CIF file | Formula: - B5 Lu3 O12 - Comments: Emme, Holger; Valldor, Martin; Pöttgen, Rainer; Huppertz, Hubert Associating Borate and Silicate Chemistry by Extreme Conditions: High-Pressure Synthesis, Crystal Structure, and Properties of the New Borates RE~3~B~5~O~12~ (RE = Er–Lu) Chemistry of Materials 17(10) (2005) 2707-2715 Space group: P m n a Cell volume: 726.605 Cell parameters: 12.7651; 4.575; 12.4418; 90; 90; 90; |
| COD ID: 4001326 | |
| CIF file | Formula: - C128 H156 Co12 O114 Zn8 - Comments: Chen, Pang-Kuan; Che, Yun-Xia; Zheng, Ji-Min; Batten, Stuart R. Heteropolynuclear Metamagnet Showing Spin Canting and Single-Crystal to Single-Crystal Phase Transformation Chemistry of Materials 19(9) (2007) 2162 Space group: P m n a Cell volume: 4172 Cell parameters: 21.881; 7.07; 26.967; 90; 90; 90; |
| COD ID: 4027807 | |
| CIF file | Formula: - Ag I Se3 - Comments: Deiseroth, H.J.; Neumann, E.; Wagener, M. (Ag I)2 Te6 and (Ag I)2 Se6: New composite materials with cyclic Te6 and Se6 molecules stabilized in the "solid solvent" Ag I European Journal of Inorganic Chemistry 2004 (2004) 4755-4758 Space group: P m n a Cell volume: 565.702 Cell parameters: 14.935; 4.589; 8.254; 90; 90; 90; |
| COD ID: 4027808 | |
| CIF file | Formula: - Ag I Te3 - Comments: Wagener, M.; Neumann, E.; Deiseroth, H.J. (Ag I)2 Te6 and (Ag I)2 Se6: New composite materials with cyclic Te6 and Se6 molecules stabilized in the "solid solvent" Ag I European Journal of Inorganic Chemistry 2004 (2004) 4755-4758 Space group: P m n a Cell volume: 671.083 Cell parameters: 16.23; 4.696; 8.805; 90; 90; 90; |
| COD ID: 4031568 | |
| CIF file | Formula: - H4 N4 - Comments: Lerner, H.W.; Bolte, M.; Wiberg, N. Silatetrazoline: Eigenschaften und Strukturen cyclischer thermostabiler Tetrazenderivate Journal of Organometallic Chemistry 649 (2002) 246-251 Space group: P m n a Cell volume: 290.888 Cell parameters: 8.917; 3.7761; 8.639; 90; 90; 90; |
| COD ID: 4102830 | |
| CIF file | Formula: - Ba Ge5 - Comments: Umut Aydemir; Lev Akselrud; Wilder Carrillo-Cabrera; Christophe Candolfi; Niels Oeschler; Michael Baitinger; Frank Steglich; Yuri Grin BaGe5: A New Type of Intermetallic Clathrate Journal of the American Chemical Society 132 (2010) 10984-10985 Space group: P m n a Cell volume: 1473.4 Cell parameters: 10.727; 9.2844; 14.794; 90; 90; 90; |
| COD ID: 4124012 | |
| CIF file | Formula: - C4 H12 K3 Mo N4 Na O8 - Comments: Day, V.W.; Hoard, J.L. The Structure of the trans-Dioxotetracyanomolybdate(IV) Ion in the Crystalline Salt Na K3 Mo O2 (C N)4 (H2 O)6 Journal of the American Chemical Society 90 (1968) 3374-3379 Space group: P m n a Cell volume: 818.292 Cell parameters: 12.46; 7.161; 9.171; 90; 90; 90; |
| COD ID: 4130017 | |
| CIF file | Formula: - C4 H4 Cu N4 O6 - Comments: Dos Santos, Leonardo H. R.; Lanza, Arianna; Barton, Alyssa M.; Brambleby, Jamie; Blackmore, William J. A.; Goddard, Paul A.; Xiao, Fan; Williams, Robert C.; Lancaster, Tom; Pratt, Francis L.; Blundell, Stephen J.; Singleton, John; Manson, Jamie L.; Macchi, Piero Experimental and Theoretical Electron Density Analysis of Copper Pyrazine Nitrate Quasi-Low-Dimensional Quantum Magnets. Journal of the American Chemical Society 138(7) (2016) 2280-2291 Space group: P m n a Cell volume: 399.089 Cell parameters: 6.70122; 5.11854; 11.63508; 90; 90; 90; |
| COD ID: 4302741 | |
| CIF file | Formula: - Cu Ga2 O10 Se3 - Comments: Fang Kong; Qi-Pu Lin; Fei-Yan Yi; Jiang-Gao Mao Explorations of New Phases in the GaIII/InIII-CuII-SeIV-O System Inorganic Chemistry 48 (2009) 6794-6803 Space group: P m n a Cell volume: 838 Cell parameters: 6.495; 9.598; 13.443; 90; 90; 90; |
| COD ID: 4304941 | |
| CIF file | Formula: - C4 H3.1 F0.3 O4.1 V - Comments: Marie Vougo-Zanda; Ekaterina V. Anokhina; Selma Duhovic; Lumei Liu; Xiqu Wang; Oluwakemi A. Oloba; Thomas A. Albright; Allan J. Jacobson Octahedral Tilting in MM'X4 Metal-Oxide Organic Layer Structures Inorganic Chemistry 47 (2008) 4746-4751 Space group: P m n a Cell volume: 561.1 Cell parameters: 7.101; 3.8416; 20.57; 90; 90; 90; |
| COD ID: 4314828 | |
| CIF file | Formula: - C4 H4 Cu N4 O6 - Comments: J. Jornet-Somoza; M. Deumal; M. A. Robb; C. P. Landee; M. M. Turnbull; R. Feyerherm; J. J. Novoa First-Principles Bottom-Up Study of 1D to 3D Magnetic Transformation in the Copper Pyrazine Dinitrate S=1/2 Antiferromagnetic Crystal Inorganic Chemistry 49 (2010) 1750-1760 Space group: P m n a Cell volume: 396.304 Cell parameters: 6.69166; 5.10538; 11.60022; 90; 90; 90; |
| COD ID: 4315502 | |
| CIF file | Formula: - C17 H8 Co F4 N2 O3 - Comments: Zeric Hulvey; Brent C. Melot; Anthony K. Cheetham Structure and Magnetic Field-Induced Transition in a One-Dimensional Hybrid Inorganic-Organic Chain System, Co2(4,4'-bpy)(tfhba)2.4,4'-bpy (4,4'-bpy = 4,4'-Bipyridine; tfhba = 2,3,5,6-Tetrafluoro-4-hydroxybenzoate) Inorganic Chemistry 49 (2010) 4594-4598 Space group: P m n a Cell volume: 1512.1 Cell parameters: 26.271; 8.9909; 6.4018; 90; 90; 90; |
| COD ID: 4315503 | |
| CIF file | Formula: - C17 H8 F4 N2 O3 Zn - Comments: Zeric Hulvey; Brent C. Melot; Anthony K. Cheetham Structure and Magnetic Field-Induced Transition in a One-Dimensional Hybrid Inorganic-Organic Chain System, Co2(4,4'-bpy)(tfhba)2.4,4'-bpy (4,4'-bpy = 4,4'-Bipyridine; tfhba = 2,3,5,6-Tetrafluoro-4-hydroxybenzoate) Inorganic Chemistry 49 (2010) 4594-4598 Space group: P m n a Cell volume: 1515.7 Cell parameters: 26.376; 8.9842; 6.3964; 90; 90; 90; |
| COD ID: 4320864 | |
| CIF file | Formula: - C2 K4 N2 Re6 S10 - Comments: Yuri V. Mironov; Vladimir E. Fedorov; Craig C. McLauchlan; James A. Ibers Layered K4[Re6S10(CN)2] and Chainlike K4[Re6Se10(CN)4]: New Types of Chalcocyanide Cluster Compounds with Bridging Chalcogenide Ligands Inorganic Chemistry 39 (2000) 1809-1811 Space group: P m n a Cell volume: 1031.5 Cell parameters: 11.183; 9.198; 10.028; 90; 90; 90; |
| COD ID: 4322472 | |
| CIF file | Formula: - C4 Cu N3 - Comments: H. Hoshino; K. Iida; T. Kawamoto; T. Mori Structural and Magnetic Properties of Cu[C(CN)3]2 and Mn[C(CN)3]2 Inorganic Chemistry 38 (1999) 4229-4232 Space group: P m n a Cell volume: 420.6 Cell parameters: 7.212; 5.452; 10.696; 90; 90; 90; |
| COD ID: 4322473 | |
| CIF file | Formula: - C8 Mn N6 - Comments: H. Hoshino; K. Iida; T. Kawamoto; T. Mori Structural and Magnetic Properties of Cu[C(CN)3]2 and Mn[C(CN)3]2 Inorganic Chemistry 38 (1999) 4229-4232 Space group: P m n a Cell volume: 442.4 Cell parameters: 7.742; 5.411; 10.561; 90; 90; 90; |
| COD ID: 4344951 | |
| CIF file | Formula: - C2 H12 I4 N6 Sn - Comments: Stoumpos, Constantinos C.; Mao, Lingling; Malliakas, Christos D.; Kanatzidis, Mercouri G. Structure-Band Gap Relationships in Hexagonal Polytypes and Low-Dimensional Structures of Hybrid Tin Iodide Perovskites. Inorganic chemistry 56(1) (2017) 56-73 Space group: P m n a Cell volume: 1653.6 Cell parameters: 13.0471; 13.5581; 9.3478; 90; 90; 90; |
| COD ID: 4349104 | |
| CIF file | Formula: - C12 H6 F2 Fe N8 Ni - Comments: Valverde-Muñoz, Francisco Javier; Seredyuk, Maksym; Muñoz, M Carmen; Znovjyak, Kateryna; Fritsky, Igor O.; Real, José Antonio Strong Cooperative Spin Crossover in 2D and 3D Fe<sup>II</sup>-M<sup>I,II</sup> Hofmann-Like Coordination Polymers Based on 2-Fluoropyrazine. Inorganic chemistry 55(20) (2016) 10654-10665 Space group: P m n a Cell volume: 729.76 Cell parameters: 7.2842; 6.9449; 14.4255; 90; 90; 90; |
| COD ID: 4349105 | |
| CIF file | Formula: - C12 H6 F2 Fe N8 Pt - Comments: Valverde-Muñoz, Francisco Javier; Seredyuk, Maksym; Muñoz, M Carmen; Znovjyak, Kateryna; Fritsky, Igor O.; Real, José Antonio Strong Cooperative Spin Crossover in 2D and 3D Fe<sup>II</sup>-M<sup>I,II</sup> Hofmann-Like Coordination Polymers Based on 2-Fluoropyrazine. Inorganic chemistry 55(20) (2016) 10654-10665 Space group: P m n a Cell volume: 760.1 Cell parameters: 7.2572; 6.9861; 14.9922; 90; 90; 90; |
| COD ID: 4349113 | |
| CIF file | Formula: - C12 H6 F2 Fe N8 Pt - Comments: Valverde-Muñoz, Francisco Javier; Seredyuk, Maksym; Muñoz, M Carmen; Znovjyak, Kateryna; Fritsky, Igor O.; Real, José Antonio Strong Cooperative Spin Crossover in 2D and 3D Fe<sup>II</sup>-M<sup>I,II</sup> Hofmann-Like Coordination Polymers Based on 2-Fluoropyrazine. Inorganic chemistry 55(20) (2016) 10654-10665 Space group: P m n a Cell volume: 799.28 Cell parameters: 7.4534; 7.1275; 15.0455; 90; 90; 90; |
| COD ID: 4349114 | |
| CIF file | Formula: - C12 H6 F2 Fe N8 Pd - Comments: Valverde-Muñoz, Francisco Javier; Seredyuk, Maksym; Muñoz, M Carmen; Znovjyak, Kateryna; Fritsky, Igor O.; Real, José Antonio Strong Cooperative Spin Crossover in 2D and 3D Fe<sup>II</sup>-M<sup>I,II</sup> Hofmann-Like Coordination Polymers Based on 2-Fluoropyrazine. Inorganic chemistry 55(20) (2016) 10654-10665 Space group: P m n a Cell volume: 783.28 Cell parameters: 7.4526; 7.1125; 14.777; 90; 90; 90; |
| COD ID: 4349117 | |
| CIF file | Formula: - C12 H6 F2 Fe N8 Pd - Comments: Valverde-Muñoz, Francisco Javier; Seredyuk, Maksym; Muñoz, M Carmen; Znovjyak, Kateryna; Fritsky, Igor O.; Real, José Antonio Strong Cooperative Spin Crossover in 2D and 3D Fe<sup>II</sup>-M<sup>I,II</sup> Hofmann-Like Coordination Polymers Based on 2-Fluoropyrazine. Inorganic chemistry 55(20) (2016) 10654-10665 Space group: P m n a Cell volume: 748.16 Cell parameters: 7.2646; 6.9726; 14.7703; 90; 90; 90; |
| COD ID: 4504387 | |
| CIF file | Formula: - C22 H40.6 N4 O19.3 - Comments: Wichmann, Kathrin A.; Boyd, Peter D. W.; Söhnel, Tilo; Allen, Grant R.; Phillips, Anthony R. J.; Cooper, Garth J. S. Characterization of Dicarboxylic Salts of Protonated Triethylenetetramine Useful for the Treatment of Copper-Related Pathologies† Crystal Growth & Design 7(9) (2007) 1844 Space group: P m n a Cell volume: 1621.6 Cell parameters: 13.903; 7.959; 14.655; 90; 90; 90; |
| COD ID: 4512306 | |
| CIF file | Formula: - C7 H5 Cl2 N O2 - Comments: Ueda, Kouhei; Oguni, Masaharu; Asaji, Tetsuo Halogen Bond as Controlling the Crystal Structure of 4-Amino-3,5-Dihalogenobenzoic Acid and Its Effect on the Positional Ordering/Disordering of Acid Protons Crystal Growth & Design 14(12) (2014) 6189 Space group: P m n a Cell volume: 1679.9 Cell parameters: 22.315; 3.8413; 19.598; 90; 90; 90; |
| COD ID: 4512307 | |
| CIF file | Formula: - C7 H5 Cl2 N O2 - Comments: Ueda, Kouhei; Oguni, Masaharu; Asaji, Tetsuo Halogen Bond as Controlling the Crystal Structure of 4-Amino-3,5-Dihalogenobenzoic Acid and Its Effect on the Positional Ordering/Disordering of Acid Protons Crystal Growth & Design 14(12) (2014) 6189 Space group: P m n a Cell volume: 1650 Cell parameters: 22.252; 3.7729; 19.6529; 90; 90; 90; |
| COD ID: 4512308 | |
| CIF file | Formula: - C7 H5 I2 N O2 - Comments: Ueda, Kouhei; Oguni, Masaharu; Asaji, Tetsuo Halogen Bond as Controlling the Crystal Structure of 4-Amino-3,5-Dihalogenobenzoic Acid and Its Effect on the Positional Ordering/Disordering of Acid Protons Crystal Growth & Design 14(12) (2014) 6189 Space group: P m n a Cell volume: 1852.56 Cell parameters: 22.7032; 4.1824; 19.5101; 90; 90; 90; |
| COD ID: 4512309 | |
| CIF file | Formula: - C7 H5 I2 N O2 - Comments: Ueda, Kouhei; Oguni, Masaharu; Asaji, Tetsuo Halogen Bond as Controlling the Crystal Structure of 4-Amino-3,5-Dihalogenobenzoic Acid and Its Effect on the Positional Ordering/Disordering of Acid Protons Crystal Growth & Design 14(12) (2014) 6189 Space group: P m n a Cell volume: 1813.77 Cell parameters: 22.5957; 4.1172; 19.4964; 90; 90; 90; |
| COD ID: 4514422 | |
| CIF file | Formula: - H4 N4 - Comments: Zhao, Gang; Kumar, Dheeraj; Hu, Lu; Shreeve, Jean’ne M. A Safe and Scaled-Up Route to Inert Ammonia Oxide Hydroxylammonium Azide (H7N5O2), Hydrazinium Azide (H5N5), and Ammonium Azide (H4N4) ACS Applied Energy Materials 2(9) (2019) 6919 Space group: P m n a Cell volume: 292.34 Cell parameters: 8.9331; 3.7824; 8.6519; 90; 90; 90; |
| COD ID: 7017048 | |
| CIF file | Formula: - C12 H17 Mn N4 O7 - Comments: Wang, Yan-Qin; Sun, Qian; Yue, Qi; Cheng, Ai-Ling; Song, You; Gao, En-Qing Manganese(ii)-carboxylate-pseudohalide systems derived from 1,4-bis(4-carboxylatopyridinium-1-methylene)benzene: structures and magnetism. Dalton transactions (Cambridge, England : 2003) 40(41) (2011) 10966-10974 Space group: P m n a Cell volume: 1681.91 Cell parameters: 7.2233; 11.417; 20.3946; 90; 90; 90; |
| COD ID: 7021234 | |
| CIF file | Formula: - C20 K18 O179 P20 U20 - Comments: Liao, Zuolei; Ling, Jie; Reinke, Laura R.; Szymanowski, Jennifer E. S.; Sigmon, Ginger E.; Burns, Peter C. Cage clusters built from uranyl ions bridged through peroxo and 1-hydroxyethane-1,1-diphosphonic acid ligands. Dalton transactions (Cambridge, England : 2003) 42(19) (2013) 6793-6802 Space group: P m n a Cell volume: 13326 Cell parameters: 31.955; 20.421; 20.421; 90; 90; 90; |
| COD ID: 7025262 | |
| CIF file | Formula: - C63 H60 F18 N15 P3 Pd3 - Comments: Ning, Guo-Hong; Xie, Ting-Zheng; Pan, Yuan-Jiang; Li, Yi-Zhi; Yu, Shu-Yan Self-assembly of bowl-like trinuclear metallo-macrocycles. Dalton transactions (Cambridge, England : 2003) 39(13) (2010) 3203-3211 Space group: P m n a Cell volume: 7305 Cell parameters: 31.371; 18.99; 12.262; 90; 90; 90; |
| COD ID: 7114243 | |
| CIF file | Formula: - Ce2 H8 Na4.8 O34 Si12 - Comments: Jeong, Hae-Kwon; Chandrasekaran, Annamalai; Tsapatsis, Michael Synthesis of a new open framework cerium silicate and its structure determination by single crystal X-ray diffractionElectronic supplementary information (ESI) available: powder XRD patterns, TG data. See http://www.rsc.org/suppdata/cc/b2/b206738m/ Chemical Communications (issue 20) (2002) 2398 Space group: P m n a Cell volume: 780.78 Cell parameters: 7.3093; 7.135; 14.9713; 90; 90; 90; |
| COD ID: 7117144 | |
| CIF file | Formula: - C147 H182 N14 O56 Zn6 - Comments: Fei-Yan Yi; Hai-Long Jiang; Zhong-Ming Sun Linearly bridging CO2 in a metal-organic framework Chem.Commun. 51 (2015) 8446 Space group: P m n a Cell volume: 10032.9 Cell parameters: 19.7928; 17.7591; 28.543; 90; 90; 90; |
| COD ID: 7120238 | |
| CIF file | Formula: - C7 Bi O8 - Comments: Wang, Yunchen; Takki, Sofia; Cheung, Ocean; Xu, Hong-Yi; Wan, Wei; Öhrström, Lars R.; Inge, Andrew Ken Elucidation of the Elusive Structure and Formula of the Active Pharmaceutical Ingredient Bismuth Subgallate by Continuous Rotation Electron Diffraction Chem. Commun. (2017) Space group: P m n a Cell volume: 945.55 Cell parameters: 8.54221; 4.66794; 23.7131; 90; 90; 90; |
| COD ID: 7122467 | |
| CIF file | Formula: - C16 H16 Au2 N10 - Comments: Liu, Qi; Xie, Mo; Chang, Xiaoyong; Gao, Qin; Chen, Yong; Lu, Wei Correlating thermochromic and mechanochromic phosphorescence with polymorphs of a complex gold(i) double salt with infinite aurophilicity. Chemical communications (Cambridge, England) 54(91) (2018) 12844-12847 Space group: P m n a Cell volume: 967.44 Cell parameters: 6.3484; 8.1538; 18.6895; 90; 90; 90; |
| COD ID: 7122470 | |
| CIF file | Formula: - C16 H16 Au2 N10 - Comments: Liu, Qi; Xie, Mo; Chang, Xiaoyong; Gao, Qin; Chen, Yong; Lu, Wei Correlating thermochromic and mechanochromic phosphorescence with polymorphs of a complex gold(i) double salt with infinite aurophilicity. Chemical communications (Cambridge, England) 54(91) (2018) 12844-12847 Space group: P m n a Cell volume: 976.57 Cell parameters: 6.3929; 8.1734; 18.6898; 90; 90; 90; |
| COD ID: 7122471 | |
| CIF file | Formula: - C16 H16 Au2 N10 - Comments: Liu, Qi; Xie, Mo; Chang, Xiaoyong; Gao, Qin; Chen, Yong; Lu, Wei Correlating thermochromic and mechanochromic phosphorescence with polymorphs of a complex gold(i) double salt with infinite aurophilicity. Chemical communications (Cambridge, England) 54(91) (2018) 12844-12847 Space group: P m n a Cell volume: 970.19 Cell parameters: 6.3632; 8.1603; 18.6843; 90; 90; 90; |
| COD ID: 7126947 | |
| CIF file | Formula: - C31 H23 Cl2 F12 Fe N7 P2 - Comments: Fujisaki, Hiroto; Ishizuka, Tomoya; Shimoyama, Yoshihiro; Kotani, Hiroaki; Shiota, Yoshihito; Yoshizawa, Kazunari; Kojima, Takahiko Selective catalytic 2e<sup>-</sup>-oxidation of organic substrates by an Fe<sup>II</sup> complex having an N-heterocyclic carbene ligand in water. Chemical communications (Cambridge, England) 56(68) (2020) 9783-9786 Space group: P m n a Cell volume: 4316.8 Cell parameters: 11.5092; 10.5574; 35.527; 90; 90; 90; |
| COD ID: 7128193 | |
| CIF file | Formula: - C170 H262 O91 Sn18 - Comments: Zhu, Yu; Li, Qiaohong; Li, Dongsheng; Zhang, Jian; Zhang, Lei Functional ligand directed assembly and electronic structure of Sn<sub>18</sub>-oxo wheel nanoclusters. Chemical communications (Cambridge, England) 57(42) (2021) 5159-5162 Space group: P m n a Cell volume: 19676 Cell parameters: 27.106; 15.46; 46.953; 90; 90; 90; |
| COD ID: 7128762 | |
| CIF file | Formula: - C34 H28 Cl Mn2 N13 O8 S2 - Comments: Dong, Long-Zhang; Zhang, Yu; Lu, Yun-Feng; Zhang, Lei; Huang, Xin; Wang, Jian-Hui; Liu, Jiang; Li, Shun-Li; Lan, Ya-Qian A well-defined dual Mn-site based metal-organic framework to promote CO<sub>2</sub> reduction/evolution in Li-CO<sub>2</sub> batteries. Chemical communications (Cambridge, England) 57(71) (2021) 8937-8940 Space group: P m n a Cell volume: 4732 Cell parameters: 21.678; 13.712; 15.918; 90; 90; 90; |
| COD ID: 7128763 | |
| CIF file | Formula: - C34 H30 Co2 N13 O9 S2 - Comments: Dong, Long-Zhang; Zhang, Yu; Lu, Yun-Feng; Zhang, Lei; Huang, Xin; Wang, Jian-Hui; Liu, Jiang; Li, Shun-Li; Lan, Ya-Qian A well-defined dual Mn-site based metal-organic framework to promote CO<sub>2</sub> reduction/evolution in Li-CO<sub>2</sub> batteries. Chemical communications (Cambridge, England) 57(71) (2021) 8937-8940 Space group: P m n a Cell volume: 4755.9 Cell parameters: 22.1875; 13.4774; 15.9045; 90; 90; 90; |
| COD ID: 7128764 | |
| CIF file | Formula: - C34 H30 Co Mn N13 O9 S2 - Comments: Dong, Long-Zhang; Zhang, Yu; Lu, Yun-Feng; Zhang, Lei; Huang, Xin; Wang, Jian-Hui; Liu, Jiang; Li, Shun-Li; Lan, Ya-Qian A well-defined dual Mn-site based metal-organic framework to promote CO<sub>2</sub> reduction/evolution in Li-CO<sub>2</sub> batteries. Chemical communications (Cambridge, England) 57(71) (2021) 8937-8940 Space group: P m n a Cell volume: 4782 Cell parameters: 22.29; 13.477; 15.919; 90; 90; 90; |
| COD ID: 7130475 | |
| CIF file | Formula: - C H5 N5 O2 - Comments: Bellas, Michael K.; Matzger, Adam J. Peroxosolvate discovery method leads to first cocrystal with three energetic components. Chemical communications (Cambridge, England) 58(63) (2022) 8806-8809 Space group: P m n a Cell volume: 518.68 Cell parameters: 9.9196; 6.44705; 8.1105; 90; 90; 90; |
| COD ID: 7201238 | |
| CIF file | Formula: - C22 H22 Br N2 O2 S12 - Comments: Zorina, Leokadiya; Simonov, Sergey; Mézière, Cécile; Canadell, Enric; Suh, Steve; Brown, Stuart E.; Foury-Leylekian, Pascale; Fertey, Pierre; Pouget, Jean-Paul; Batail, Patrick Charge ordering, symmetry and electronic structure issues and Wigner crystal structure of the quarter-filled band Mott insulators and high pressure metals δ-(EDT-TTF-CONMe2)2X, X = Br and AsF6 Journal of Materials Chemistry 19(38) (2009) 6980 Space group: P m n a Cell volume: 1511.9 Cell parameters: 7.1097; 6.5049; 32.691; 90; 90; 90; |
| COD ID: 7209097 | |
| CIF file | Formula: - C13 H21 N4 O6.708 - Comments: Yadav, Vitthal N.; Görbitz, Carl Henrik A supramolecular 2 : 1 guanidinium‒carboxylate based building block for generation of water channels and clusters in organic materials CrystEngComm 15(3) (2013) 439 Space group: P m n a Cell volume: 3579 Cell parameters: 32.122; 15.681; 7.105; 90; 90; 90; |
| COD ID: 7210065 | |
| CIF file | Formula: - C78 H146 Mn Mo6 N7 O32 - Comments: Hutin, Marie; Yvon, Carine; Yan, Jun; Macdonell, Andrew; Long, De-Liang; Cronin, Leroy Programming the assembly of carboxylic acid-functionalised hybrid polyoxometalates CrystEngComm 15(22) (2013) 4422 Space group: P m n a Cell volume: 5379.4 Cell parameters: 23.8498; 14.573; 15.4775; 90; 90; 90; |
| COD ID: 7210946 | |
| CIF file | Formula: - C17 H16 Ag F6 N2 O3 P - Comments: Niranjana, P.; Pati, Anita; Porwal, Suheel K.; Ramkumar, Venkatachalam; Gharpure, Santosh J.; Chand, Dillip Kumar Coordination polymers via self-assembly of silver(i) and cis-bis-nitrile-oxa-bowl derivatives CrystEngComm 15(45) (2013) 9623 Space group: P m n a Cell volume: 1909.42 Cell parameters: 13.5994; 9.9972; 14.0444; 90; 90; 90; |
| COD ID: 7218308 | |
| CIF file | Formula: - C28 H34 Cu N4 O8 - Comments: Lo, Yang-Chih; Hsu, Wayne; He, Hsiu-Yi; Hyde, Stephen T.; Proserpio, Davide M.; Chen, Jhy-Der Structural directing roles of isomeric phenylenediacetate ligands in the formation of coordination networks based on flexible N,N′-di(3-pyridyl)suberoamide CrystEngComm 17(1) (2015) 90 Space group: P m n a Cell volume: 2855.2 Cell parameters: 15.8723; 12.1103; 14.8539; 90; 90; 90; |
| COD ID: 7221096 | |
| CIF file | Formula: - Ba2 Fe4 Nd2 O11 - Comments: Karen, P.; Woodward, P.M. Synthesis and structural investigations of the double perovskites RE Ba Fe2 O5+w (RE = Nd, Sm) Journal of Materials Chemistry 9 (1998) 789-797 Space group: P m n a Cell volume: 484.216 Cell parameters: 15.54166; 3.90558; 7.9773; 90; 90; 90; |
| COD ID: 7221097 | |
| CIF file | Formula: - Ba2 Fe4 O11 Sm2 - Comments: Karen, P.; Woodward, P.M. Synthesis and structural investigations of the double perovskites RE Ba Fe2 O5+w (RE = Nd, Sm) Journal of Materials Chemistry 9 (1998) 789-797 Space group: P m n a Cell volume: 480.489 Cell parameters: 15.47744; 3.89602; 7.96825; 90; 90; 90; |
| COD ID: 7222773 | |
| CIF file | Formula: - H4 N4 - Comments: Reckeweg, O.; Simon, A. Azide und Cyanamide - aehnlich und doch anders Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-) 58 (2003) 1097-1104 Space group: P m n a Cell volume: 293.782 Cell parameters: 8.8978; 3.8067; 8.6735; 90; 90; 90; |
| COD ID: 7225417 | |
| CIF file | Formula: - C40 H44 Cl3 N25 O21 Pr2 - Comments: Yang, Bo; Gao, Zhong-Zheng; Lu, Ji-Hong; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Xiao, Xin Interaction of a symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril with Ln3+: potential applications for isolation of lanthanides CrystEngComm 18(26) (2016) 5028 Space group: P m n a Cell volume: 3903 Cell parameters: 25.508; 10.756; 14.224; 90; 90; 90; |
| COD ID: 7225420 | |
| CIF file | Formula: - C40 H46 Cl2 N26 Nd2 O30 - Comments: Yang, Bo; Gao, Zhong-Zheng; Lu, Ji-Hong; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Xiao, Xin Interaction of a symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril with Ln3+: potential applications for isolation of lanthanides CrystEngComm 18(26) (2016) 5028 Space group: P m n a Cell volume: 3981 Cell parameters: 25.819; 10.779; 14.304; 90; 90; 90; |
| COD ID: 7225423 | |
| CIF file | Formula: - C40 H44 Cl2 N26 O29 Sm2 - Comments: Yang, Bo; Gao, Zhong-Zheng; Lu, Ji-Hong; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Xiao, Xin Interaction of a symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril with Ln3+: potential applications for isolation of lanthanides CrystEngComm 18(26) (2016) 5028 Space group: P m n a Cell volume: 3969 Cell parameters: 25.712; 10.726; 14.392; 90; 90; 90; |
| COD ID: 7226939 | |
| CIF file | Formula: - C15 H8 Ni0.75 O6.75 - Comments: Zhou, Zhen; Yang, Lu; Wang, Yefei; He, Cheng; liu, tao; Duan, Chunying Construction of Solvent-dependent Self-assembly Porous Ni(II)-Coordinated Frameworks Effectively Catalysis for Chemical Transformation of CO2 RSC Adv. (2016) Space group: P m n a Cell volume: 4394.84 Cell parameters: 27.2662; 11.5396; 13.9678; 90; 90; 90; |
| COD ID: 7233842 | |
| CIF file | Formula: - C H8 Cl N3 O - Comments: Wang, Ya; Han, Jian; Tudi, Abudukadi; Zhang, Zhizhong; Yang, Zhihua; Pan, Shilie CO(NH2)2·NH4Cl: an ultraviolet birefringent material with conjugated CO groups CrystEngComm 21(40) (2019) 6072 Space group: P m n a Cell volume: 1089.4 Cell parameters: 7.909; 17.113; 8.049; 90; 90; 90; |
| COD ID: 7237248 | |
| CIF file | Formula: - C34 H18 N2 O14 Sc2 - Comments: Prasad, Ram R. R.; Seidner, Sarah E.; Cordes, David B.; Lozinska, Magdalena M.; Dawson, Daniel M.; Thompson, Megan J.; Düren, Tina; Chakarova, Kristina K.; Mihaylov, Mihail Y.; Hadjiivanov, Konstantin I.; Hoffmann, Frank; Slawin, Alexandra M. Z.; Ashbrook, Sharon E.; Clarke, Matthew L.; Wright, Paul A. STA-27, a porous Lewis acidic scandium MOF with an unexpected topology type prepared with 2,3,5,6-tetrakis(4-carboxyphenyl)pyrazine Journal of Materials Chemistry A 7(10) (2019) 5685 Space group: P m n a Cell volume: 2237 Cell parameters: 32.741; 7.797; 8.763; 90; 90; 90; |
| COD ID: 7244700 | |
| CIF file | Formula: - C44 H44.73 Cu2.4 N4 O16.8 - Comments: Chahine, Ali; Chaffee, Alan L.; Knowles, Gregory P.; Turner, David Roger; Batten, Stuart R. Highly Connected Framework Materials from Flexible Tetra-Isophthalate Ligands CrystEngComm (2022) Space group: P m n a Cell volume: 16781.3 Cell parameters: 42.6882; 14.5716; 26.9781; 90; 90; 90; |
| COD ID: 7705993 | |
| CIF file | Formula: - C4 H2 Mn2 O9 - Comments: Wu, Wen-Yuan; Tang, Tie-Huan; Li, Yi; Xu, Shuang Versatile oxalato-bridging modes: a novel three-dimensional framework structure of manganese(ii) oxalate complex [MnC<sub>2</sub>O<sub>4</sub>]·0.5H<sub>2</sub>O and the relationship with other manganese(ii) oxalates. Dalton transactions (Cambridge, England : 2003) 50(2) (2021) 485-489 Space group: P m n a Cell volume: 379.56 Cell parameters: 7.136; 5.891; 9.029; 90; 90; 90; |
| COD ID: 9016938 | |
| CIF file | Formula: - C2 H22.34 Al Ca0.05 Dy0.17 Er0.15 F0.66 Gd0.07 O22.34 Pb0.057 Sm0.01 Y3.41 Yb0.09 - Comments: Biagioni, C.; Bonaccorsi, E.; Camara, F.; Cadoni, M.; Ciriotti, M. E.; Bersani, D.; Kolitsch, U. Lusernaite-(Y), Y4Al(CO3)2(OH,F)11*6H2O, a new mineral species from Luserna Valley, Piedmont, Italy: Description and crystal structure American Mineralogist 98 (2013) 1322-1329 Space group: P m n a Cell volume: 984.96 Cell parameters: 7.8412; 11.0313; 11.387; 90; 90; 90; |
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