name stringlengths 9 16 | description stringlengths 419 314k |
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TAKYOV_clean | Dy2Co3C24(NO4)6(CH)18 crystallizes in the hexagonal P6/mcc space group. The structure consists of thirty-six 02329_fluka molecules inside a Dy2Co3C24(NO4)6 framework. In the Dy2Co3C24(NO4)6 framework, Dy(1) is bonded in a 9-coordinate geometry to three equivalent N(1) and six equivalent O(1) atoms. All Dy(1)-N(1) bond ... |
EPUSUE_clean | Ag8H10(C2N3)5 crystallizes in the triclinic P-1 space group. There are sixteen inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a linear geometry to one N(17) and one N(29) atom. The Ag(1)-N(17) bond length is 2.09 Å. The Ag(1)-N(29) bond length is 2.05 Å. In the second Ag site, Ag(2) is bonded in a line... |
SAPJEZ_clean | AlPO4 is low (alpha) Cristobalite-derived structured and crystallizes in the trigonal R-3 space group. Al(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form AlO4 tetrahedra that share corners with four equivalent P(1)O4 tetrahedra. The Al(1)-O(1) bond length is 1.72 Å. The Al(1)-O(2) bond length is... |
BEFNIL_clean | AlPO4 crystallizes in the tetragonal I-42m space group. Al(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form AlO4 trigonal pyramids that share corners with four equivalent P(1)O4 tetrahedra. The Al(1)-O(2) bond length is 1.96 Å. The Al(1)-O(3) bond length is 1.95 Å. Both Al(1)-O(1) bond lengths ... |
LAWGIA_clean | Zn4C24H12O13 is alpha Po structured and crystallizes in the cubic Fm-3m space group. The structure is zero-dimensional and consists of eight Zn4C24H12O13 clusters. Zn(1) is bonded to one O(1) and three equivalent O(2) atoms to form corner-sharing ZnO4 tetrahedra. The Zn(1)-O(1) bond length is 1.94 Å. All Zn(1)-O(2) bon... |
AZILEC_clean | CoC12H8(NO)4(CH)4 crystallizes in the orthorhombic Pca2_1 space group. The structure is zero-dimensional and consists of thirty-two 02329_fluka molecules and four CoC12H8(NO)4 clusters. In each CoC12H8(NO)4 cluster, there are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a distorted octahedral geo... |
ICAQOU_clean | CuC10NH6O4(C5H3)2C3H2 is Indium-derived structured and crystallizes in the cubic Pm-3n space group. The structure is zero-dimensional and consists of eight 1,3,5-triisopropenyl benzene molecules; six 2,3-dimethyl-2-butene molecules; and six CuC10NH6O4 clusters. In each CuC10NH6O4 cluster, Cu(1) is bonded in a square py... |
BURHUS_clean | Co3P4(HO3)4 crystallizes in the monoclinic C2/c space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(2), one O(3), one O(4), and one O(6) atom to form CoO4 tetrahedra that share corners with two equivalent P(1)HO3 tetrahedra and corners with two equivalent P(2)HO3 tetrahedra.... |
ISIYUF01_clean | ErH4(CO2)4 crystallizes in the monoclinic P2_1/c space group. There are four inequivalent Er sites. In the first Er site, Er(1) is bonded in a 8-coordinate geometry to one O(1), one O(15), one O(17), one O(19), one O(2), one O(21), one O(23), and one O(9) atom. The Er(1)-O(1) bond length is 2.38 Å. The Er(1)-O(15) bond... |
DOPJAV_clean | CuC2O4CH2C4NH3O is Indium-derived structured and crystallizes in the orthorhombic Pnna space group. The structure is zero-dimensional and consists of twenty-four 02329_fluka molecules; eight n,n',n''-trimethylbenzene-1,3,5-tricarboxamide molecules; and twelve CuC2O4 clusters. In each CuC2O4 cluster, there are two inequ... |
FIMNIA_clean | Ag8H20(C6N5)5 crystallizes in the triclinic P-1 space group. There are eight inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a single-bond geometry to one N(20) atom. The Ag(1)-N(20) bond length is 2.22 Å. In the second Ag site, Ag(2) is bonded in a linear geometry to one N(11) and one N(24) atom. The A... |
DUWFOS_clean | Zn2C9H10(N8O)2 crystallizes in the orthorhombic Cmc2_1 space group. Zn(1) is bonded to one N(1), one N(4), one N(5), one N(8), and one O(1) atom to form ZnN4O trigonal bipyramids that share a cornercorner with one C(5)H2O2 tetrahedra. The Zn(1)-N(1) bond length is 2.29 Å. The Zn(1)-N(4) bond length is 2.01 Å. The Zn(1... |
WUZDOL_clean | CuC3NH6I is Indium-like structured and crystallizes in the tetragonal I4_1/amd space group. The structure is zero-dimensional and consists of eight CuC3NH6I clusters. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted single-bond geometry to one N(1), one I(1), and two equivalent ... |
CADQAB_clean | PrH6(C4O3)3 is Indium-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one PrH6(C4O3)3 cluster. Pr(1) is bonded in a 7-coordinate geometry to one O(1), one O(4), one O(6), one O(7), one O(8), and two equivalent O(5) atoms. The Pr(1)-O(1) bond length is... |
LAVDOE_clean | Cd2C16N4H8O9(CH)4CH3CHOCH3CO crystallizes in the monoclinic C2/c space group. The structure consists of thirty-two 02329_fluka molecules, eight dimethyl ether molecules, and eight methane;methanol molecules inside a Cd2C16N4H8O9 framework. In the Cd2C16N4H8O9 framework, there are two inequivalent Cd sites. In the first... |
GERWEH_clean | Cu4SiH12(C2O)16 crystallizes in the tetragonal P4/nmm space group. Cu(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent O(1) and two equivalent O(2) atoms. Both Cu(1)-O(1) bond lengths are 1.96 Å. Both Cu(1)-O(2) bond lengths are 1.97 Å. Si(1) is bonded in a tetrahedral geometry to four eq... |
EYOCIG_clean | Eu2H9(C5O2)6 crystallizes in the monoclinic C2/c space group. There are two inequivalent Eu sites. In the first Eu site, Eu(1) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(12), one O(2), one O(5), and one O(6) atom. The Eu(1)-O(1) bond length is 2.50 Å. The Eu(1)-O(11) bond length is 2.33 Å. The E... |
OPIWEQ_clean | CoC8H7(NO2)2CH2 crystallizes in the orthorhombic P2_12_12 space group. The structure consists of four 02329_fluka molecules inside a CoC8H7(NO2)2 framework. In the CoC8H7(NO2)2 framework, Co(1) is bonded in an octahedral geometry to one N(1), one N(2), one O(1), one O(2), one O(3), and one O(4) atom. The Co(1)-N(1) bon... |
ROBWAH_clean | Ag3C50H38(N3S)4(CH)2 crystallizes in the orthorhombic Pnn2 space group. The structure consists of four 02329_fluka molecules inside a Ag3C50H38(N3S)4 framework. In the Ag3C50H38(N3S)4 framework, there are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a distorted bent 150 degrees geometry to one N(... |
ZARZAV_clean | (CH)8ZnC12N2H4(OF)4 is Indium-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of eight isobutylene molecules and four ZnC12N2H4(OF)4 clusters. In each ZnC12N2H4(OF)4 cluster, Zn(1) is bonded in a distorted trigonal pyramidal geometry to one N(1), ... |
WEGJUP_clean | Al2P3O12 crystallizes in the trigonal R-3 space group. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(11), one O(2), one O(3), and one O(9) atom to form AlO4 tetrahedra that share a cornercorner with one P(2)O4 tetrahedra, a cornercorner with one P(3)O4 tetrahedra, and corners wit... |
ZUTBIB_clean | Ga3(PO4)3F crystallizes in the triclinic P-1 space group. There are three inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to one O(2), one O(4), one O(5), one O(9), and two equivalent F(1) atoms to form GaO4F2 octahedra that share a cornercorner with one P(2)O4 tetrahedra, a cornercorner with one P(3)O4 ... |
GUPBOJ03_clean | CdC9N4H12 crystallizes in the cubic Im-3m space group. Cd(1) is bonded in a tetrahedral geometry to two equivalent N(1) and two equivalent N(2) atoms. Both Cd(1)-N(1) bond lengths are 2.17 Å. Both Cd(1)-N(2) bond lengths are 2.13 Å. There are six inequivalent C sites. In the first C site, C(4) is bonded in a distorted ... |
GAMXAV_clean | Cu3C36H16(NO2)4 crystallizes in the tetragonal I4/m space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(2), one O(3), and one O(4) atom. The Cu(1)-O(1) bond length is 2.02 Å. The Cu(1)-O(2) bond length is 1.90 Å. The... |
QIRBUQ_clean | CdC10H4(NO2)2(C6H11)2 crystallizes in the tetragonal I4_1/a space group. The structure consists of sixteen C6H11 clusters inside a CdC10H4(NO2)2 framework. In each C6H11 cluster, there are twelve inequivalent C sites. In the first C site, C(8) is bonded in a distorted single-bond geometry to one C(9) and one H(2) atom.... |
AVEQID_clean | Zn2C22NH10O8 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a tetrahedral geometry to one O(1), one O(4), one O(6), and one O(7) atom. The Zn(1)-O(1) bond length is 1.91 Å. The Zn(1)-O(4) bond length is 1.92 Å. The Zn(1)-O(6) bond length ... |
PIBGAK_clean | EuC17H12O4 crystallizes in the orthorhombic Pnna space group. Eu(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent O(1) and two equivalent O(2) atoms. Both Eu(1)-O(1) bond lengths are 2.34 Å. Both Eu(1)-O(2) bond lengths are 2.30 Å. There are nine inequivalent C sites. In the first C site,... |
QIWPET_clean | Mg5H6(C10O9)2 crystallizes in the triclinic P-1 space group. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one O(1), one O(6), one O(7), one O(8), and one O(9) atom to form distorted MgO5 square pyramids that share a cornercorner with one Mg(3)O6 octahedra and corners with two equival... |
VUQKAU02_clean | MnH4(C2O)4(C3H2)2 is Indium-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of six 2,3-dimethyl-1,3-butadiene molecules and two MnH4(C2O)4 clusters. In each MnH4(C2O)4 cluster, there are two inequivalent Mn sites. In the first Mn site, Mn(1) is bo... |
WEMNEJ_clean | Zn3C25N19H25SO4 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a T-shaped geometry to one N(1), one N(13), and one O(1) atom. The Zn(1)-N(1) bond length is 2.06 Å. The Zn(1)-N(13) bond length is 2.06 Å. The Zn(1)-O(1) bond length is 2.1... |
PENNUT_clean | Zn3C21N2H13O13(CH)3CH2C2OC4H2O is Indium-derived structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of six 02329_fluka molecules, two 02329_fluka molecules, two dimethyl ether molecules, two furan molecules, and two Zn3C21N2H13O13 clusters. In each Zn3C21N2H13O1... |
XAKZUF_clean | Mn3C25N8H15O9(CH)13(CH3)3CH2 is Indium-derived structured and crystallizes in the tetragonal I4_1/a space group. The structure is zero-dimensional and consists of eighty 02329_fluka molecules, sixteen 02329_fluka molecules, forty-eight 02329_fluka molecules, thirty-two isobutylene molecules, and eight Mn3C25N8H15O9 clu... |
UJUPUM_clean | Zn7H36(CN2)24 crystallizes in the cubic I-43d space group. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a tetrahedral geometry to four equivalent N(1) atoms. All Zn(1)-N(1) bond lengths are 1.97 Å. In the second Zn site, Zn(2) is bonded in a trigonal planar geometry to three equivalent ... |
IDUTUW_clean | CsCdCO3Br2 crystallizes in the orthorhombic Cmcm space group. Cs(1) is bonded in a 9-coordinate geometry to one O(2), four equivalent Br(1), and four equivalent Br(2) atoms. The Cs(1)-O(2) bond length is 3.25 Å. There are a spread of Cs(1)-Br(1) bond distances ranging from 3.61-3.94 Å. There are two shorter (3.79 Å) an... |
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