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... |
REGMUN_clean | CoC28N7H26O4 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in an octahedral geometry to one N(1), one N(10), one N(4), one N(6), one O(5), and one O(7) atom. The Co(1)-N(1) bond length is 2.05 Å. The Co(1)-N(10) bond length is 2.09 Å. The C... |
PIGXUZ_clean | Co2C22H13(NO2)5(C3H2)2(CH)6 is Indium-derived structured and crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of forty-eight 02329_fluka molecules; eight 2,3-dimethyl-1,3-butadiene molecules; and four Co2C22H13(NO2)5 clusters. In each Co2C22H13(NO2)5 cluster, there are two... |
AYUPOZ_clean | Ni2S(OF)4 crystallizes in the tetragonal P4_1 space group. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), two equivalent F(1), and two equivalent F(2) atoms to form NiOF4 square pyramids that share a cornercorner with one S(1)O4 tetrahedra and edges with two equivalent Ni(1)OF4... |
AJAYIT_clean | Er2Cu3C24H30(NO4)6 crystallizes in the trigonal P3c1 space group. There are two inequivalent Er sites. In the first Er site, Er(1) is bonded in a 9-coordinate geometry to three equivalent O(1), three equivalent O(5), and three equivalent O(8) atoms. All Er(1)-O(1) bond lengths are 2.33 Å. All Er(1)-O(5) bond lengths ar... |
LUPHIN_clean | Fe4P4N(O8F)2 crystallizes in the monoclinic P2_1/c space group. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(2), one O(3), one O(4), one F(1), and one F(2) atom to form FeO4F2 octahedra that share a cornercorner with one Fe(2)O4F square pyramid, a cornercorner with on... |
VAFWAB_clean | Zn3P4(HO3)4 crystallizes in the monoclinic P2_1/c space group. There are six inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(1), one O(14), one O(18), and one O(4) atom to form ZnO4 tetrahedra that share a cornercorner with one P(1)HO3 tetrahedra, a cornercorner with one P(2)HO3 tetrahedra, a c... |
MAPCIP_clean | Ga4P5O23 crystallizes in the tetragonal I4_1/a space group. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to one O(1), one O(3), one O(5), one O(9), and two equivalent O(8) atoms to form GaO6 octahedra that share corners with two equivalent Ga(2)O6 octahedra, a cornercorner with one P(2)O4... |
CUWROC_clean | CuH4(C2N)2(C4H3)2 is Indium-derived structured and crystallizes in the orthorhombic Fddd space group. The structure is zero-dimensional and consists of thirty-two isobutylene molecules and sixteen CuH4(C2N)2 clusters. In each CuH4(C2N)2 cluster, Cu(1) is bonded in a linear geometry to two equivalent N(1) atoms. Both Cu... |
UXOZIS02_clean | CuH8(C2N)4 is alpha Po structured and crystallizes in the tetragonal P4/nbm space group. The structure is zero-dimensional and consists of two CuH8(C2N)4 clusters. Cu(1) is bonded in a square co-planar geometry to four equivalent N(1) atoms. All Cu(1)-N(1) bond lengths are 2.05 Å. C(1) is bonded in a distorted bent 120... |
CUQKOQ_clean | UC5P2H4O6CH crystallizes in the orthorhombic P2_12_12_1 space group. The structure consists of eight 02329_fluka molecules inside a UC5P2H4O6 framework. In the UC5P2H4O6 framework, there are two inequivalent U sites. In the first U site, U(1) is bonded in a rectangular see-saw-like geometry to one O(11), one O(3), one ... |
AHUTIH01_clean | LaC5H4O8 crystallizes in the monoclinic P2_1/c space group. La(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom. The La(1)-O(1) bond length is 2.51 Å. The La(1)-O(2) bond length is 2.56 Å. The La(1)-O(3) bond length is 2.66 Å. The La(1)-O... |
TOFQEM_clean | CdC12H8(NO2)2 is Indium-like structured and crystallizes in the orthorhombic Pna2_1 space group. The structure is zero-dimensional and consists of four CdC12H8(NO2)2 clusters. Cd(1) is bonded in a distorted pentagonal pyramidal geometry to one N(1), one N(2), one O(1), one O(2), one O(3), and one O(4) atom. The Cd(1)-N... |
GISZUF_clean | (C4H3)6Cd3C24H22S2(NO)8 is Indium-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of twenty-four isobutylene molecules and four Cd3C24H22S2(NO)8 clusters. In each Cd3C24H22S2(NO)8 cluster, there are three inequivalent Cd sites. In the first Cd sit... |
FELWAW_clean | CaLuH12(C4O5)3 crystallizes in the cubic Fd-3c space group. Ca(1) is bonded in an octahedral geometry to six equivalent O(2) atoms. All Ca(1)-O(2) bond lengths are 2.33 Å. Lu(1) is bonded in a 9-coordinate geometry to three equivalent O(3) and six equivalent O(1) atoms. All Lu(1)-O(3) bond lengths are 2.41 Å. All Lu(1)... |
RIYBAE_clean | ZnC4H4(NI)2(ZnC16N5H10I2)2 is Indium-like structured and crystallizes in the orthorhombic Pbca space group. The structure is zero-dimensional and consists of sixteen ZnC16N5H10I2 clusters and eight ZnC4H4(NI)2 clusters. In eight of the ZnC16N5H10I2 clusters, Zn(2) is bonded in a tetrahedral geometry to one N(2), one N(... |
FIHLOZ_clean | Co4C43H30(N2O5)4(C3H2O2)3 crystallizes in the monoclinic P2_1/c space group. The structure consists of twelve dimethoxymethane molecules inside a Co4C43H30(N2O5)4 framework. In the Co4C43H30(N2O5)4 framework, there are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one N(7), one O(1), one O(10), o... |
GUXSEY_clean | EuC12H4(NO4)2(CH)2 crystallizes in the orthorhombic Fddd space group. The structure consists of thirty-two 02329_fluka molecules inside a EuC12H4(NO4)2 framework. In the EuC12H4(NO4)2 framework, Eu(1) is bonded in a 8-coordinate geometry to two equivalent N(1), two equivalent O(1), two equivalent O(2), and two equivale... |
BASTAS_clean | GdAgC18H8(NO2)4 crystallizes in the orthorhombic Pccn space group. The structure consists of a GdAgC18H8(NO2)4 framework. Gd(1) is bonded in a 8-coordinate geometry to one O(1), one O(3), one O(4), one O(5), one O(6), one O(8), and two equivalent O(2) atoms. The Gd(1)-O(1) bond length is 2.32 Å. The Gd(1)-O(3) bond len... |
XEHSEJ_clean | Mg(HCOO)2 crystallizes in the monoclinic P2_1/c space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one O(1), one O(11), one O(3), one O(5), one O(7), and one O(9) atom to form a mixture of edge and corner-sharing MgO6 octahedra. The corner-sharing octahedral tilt angles range fr... |
LAVZUG_clean | U3P4H6(C7O8)2 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent U sites. In the first U site, U(1) is bonded in a 5-coordinate geometry to one O(1), one O(11), one O(16), one O(2), and one O(3) atom. The U(1)-O(1) bond length is 2.28 Å. The U(1)-O(11) bond length is 2.31 Å. The U(1)-O(16) ... |
UMODEH08_clean | CuC21H12O5CH3 crystallizes in the trigonal R-3m space group. The structure consists of eighteen 02329_fluka molecules inside a CuC21H12O5 framework. In the CuC21H12O5 framework, Cu(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. Both Cu(1)-O(1) bond lengths are 1.97 Å. ... |
HABZEQ_clean | Co3C18H6O13 crystallizes in the monoclinic P2_1 space group. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(10), one O(12), one O(13), one O(5), and one O(7) atom to form edge-sharing CoO5 square pyramids. The Co(1)-O(10) bond length is 2.05 Å. The Co(1)-O(12) bond length is 2.17 ... |
QQQGTA03_clean | CdCH2C2O4 crystallizes in the trigonal R-3 space group. Cd(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form distorted corner-sharing CdO6 pentagonal pyramids. The Cd(1)-O(3) bond length is 2.31 Å. The Cd(1)-O(4) bond length is 2.32 Å. There is one shorter (2.29 Å) and one l... |
IROVAO_clean | U5P8H8(CO6)4 crystallizes in the triclinic P-1 space group. There are three inequivalent U sites. In the first U site, U(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(5), one O(7), one O(9), and two equivalent O(6) atoms. The U(1)-O(1) bond length is 2.57 Å. The U(1)-O(2) bond length is... |
NAYPIM_clean | Al3P3O12F crystallizes in the triclinic P-1 space group. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(1), one O(11), one O(2), and one O(3) 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... |
HOHMEX_manual | CuC20NH12O5 crystallizes in the triclinic P1 space group. There are eight inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted square pyramidal geometry to one N(1), one O(1), one O(12), one O(18), and one O(27) atom. The Cu(1)-N(1) bond length is 2.04 Å. The Cu(1)-O(1) bond length is 1.85 Å. The... |
SROXAL01_clean | SrC2H4O5 crystallizes in the tetragonal I4/m space group. Sr(1) is bonded to one O(3), two equivalent O(1), and four equivalent O(2) atoms to form distorted edge-sharing SrO7 pentagonal bipyramids. The Sr(1)-O(3) bond length is 2.55 Å. Both Sr(1)-O(1) bond lengths are 2.49 Å. There are two shorter (2.54 Å) and two long... |
RAKCUC_clean | ZnC16N5H10I2(ZnC4H4(NI)2)2(C4NH2)3 is Indium-derived structured and crystallizes in the orthorhombic Pbca space group. The structure is zero-dimensional and consists of eight C4NH2 clusters, eight ZnC16N5H10I2 clusters, and sixteen ZnC4H4(NI)2 clusters. In each C4NH2 cluster, there are twelve inequivalent C sites. In t... |
UVINAP_clean | CoH20(C3N)8 is Indium-like structured and crystallizes in the tetragonal P4_2/n space group. The structure is zero-dimensional and consists of two CoH20(C3N)8 clusters. Co(1) is bonded in a tetrahedral geometry to four equivalent N(1) atoms. All Co(1)-N(1) bond lengths are 1.97 Å. There are six inequivalent C sites. In... |
GEGGEG01_clean | Co2C16H6O9 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(5), one O(8), and two equivalent O(9) atoms to form a mixture of edge and corner-sharing CoO5 square pyramids. The Co(1)-O(1) bond length is 2.11 Å. The Co(1)-O(5) ... |
BINROH_clean | CuH14(C13O2)2 crystallizes in the cubic Pn-3n space group. The structure consists of a CuH14(C13O2)2 framework. 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 1.98 Å. Both Cu(1)-O(2) bond lengths are 1.97 Å. There a... |
IXAMIE_clean | FePO4 crystallizes in the tetragonal I-42m space group. Fe(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form FeO4 trigonal pyramids that share corners with four equivalent P(1)O4 tetrahedra. The Fe(1)-O(2) bond length is 1.96 Å. The Fe(1)-O(3) bond length is 1.94 Å. Both Fe(1)-O(1) bond lengths ... |
IGUCET_clean | ZnPO4 crystallizes in the orthorhombic Pnn2 space group. There are five inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(10), one O(12), one O(17), and one O(20) atom to form ZnO4 tetrahedra that share a cornercorner with one P(1)O4 tetrahedra, a cornercorner with one P(2)O4 tetrahedra, a corner... |
VOHQEO_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(6), one O(7), one O(9), and two equivalent F(1) atoms to form GaO4F2 octahedra that share a cornercorner with one P(1)O4 tetrahedra, a cornercorner with one P(2)O4 ... |
TUMRUQ_clean | CuC15N5H9O4 crystallizes in the monoclinic P2_1/c space group. Cu(1) is bonded in a distorted trigonal bipyramidal geometry to one N(2), one N(3), one N(4), one O(2), and one O(3) atom. The Cu(1)-N(2) bond length is 1.98 Å. The Cu(1)-N(3) bond length is 2.26 Å. The Cu(1)-N(4) bond length is 2.02 Å. The Cu(1)-O(2) bond ... |
LUXDUE_clean | Zn7C30H6(NO2)12 crystallizes in the cubic Fm-3 space group. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 6-coordinate geometry to three equivalent N(1) and three equivalent O(1) atoms. All Zn(1)-N(1) bond lengths are 2.05 Å. All Zn(1)-O(1) bond lengths are 2.23 Å. In the second Zn sit... |
RAZXIA04_clean | KCo3(C4O9)2(CH2)4 crystallizes in the tetragonal I-42d space group. The structure consists of thirty-two 02329_fluka molecules inside a KCo3(C4O9)2 framework. In the KCo3(C4O9)2 framework, K(1) is bonded in a 10-coordinate geometry to two equivalent O(1), two equivalent O(4), two equivalent O(6), two equivalent O(8), a... |
WEMHED_clean | CdC24N9H23O4(CH)2 crystallizes in the monoclinic C2/c space group. The structure consists of sixteen 02329_fluka molecules inside a CdC24N9H23O4 framework. In the CdC24N9H23O4 framework, Cd(1) is bonded in a distorted octahedral geometry to one N(1), one N(4), one N(9), one O(1), one O(3), and one O(4) atom. The Cd(1)-... |
AQIXUV_clean | (NiC17H11(NO3)2)2NiC20H14(NO2)2(CH)22(C4H3)4(C5H5O)12(H3(C2O)2)4 is Indium-derived structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of twenty-two 02329_fluka molecules, four isobutylene molecules, four methacrylic acid molecules, four schembl9685153 molecules,... |
IJIGOX_clean | Co2Ga3(PO4)5 crystallizes in the triclinic P-1 space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(13), one O(14), one O(15), and one O(16) atom to form CoO4 tetrahedra that share a cornercorner with one P(2)O4 tetrahedra, a cornercorner with one P(5)O4 tetrahedra, and cor... |
POLBUN_clean | Ga3P3(O6F)2 crystallizes in the orthorhombic Pbca space group. There are three inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to one O(11), one O(12), one O(4), one O(6), one F(1), and one F(2) atom to form GaO4F2 octahedra that share a cornercorner with one P(1)O4 tetrahedra, a cornercorner with one P(... |
LACYOG_clean | Na2Zn3In4C80H38(NO5)6 crystallizes in the tetragonal P4/mbm space group. Na(1) is bonded in a distorted square pyramidal geometry to one O(8), two equivalent O(1), and two equivalent O(4) atoms. The Na(1)-O(8) bond length is 2.47 Å. Both Na(1)-O(1) bond lengths are 2.38 Å. Both Na(1)-O(4) bond lengths are 2.36 Å. There... |
NAXLII_clean | Zn2C18P2H17(N3O4)2(CH2)3(CH)6 is Indium-derived structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of twelve 02329_fluka molecules, six 02329_fluka molecules, and one Zn2C18P2H17(N3O4)2 cluster. In the Zn2C18P2H17(N3O4)2 cluster, there are two inequivalent Zn si... |
HABKOM_clean | VGa2(PO4)3 crystallizes in the monoclinic P2_1/c space group. V(1) is bonded in a square co-planar geometry to one O(1), one O(12), one O(3), and one O(6) atom. The V(1)-O(1) bond length is 1.98 Å. The V(1)-O(12) bond length is 1.98 Å. The V(1)-O(3) bond length is 1.97 Å. The V(1)-O(6) bond length is 1.98 Å. There are ... |
SEHMIC_clean | Yb2Ru2C23H11(N9O5)2CH crystallizes in the triclinic P-1 space group. The structure consists of two 02329_fluka molecules inside a Yb2Ru2C23H11(N9O5)2 framework. In the Yb2Ru2C23H11(N9O5)2 framework, there are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a 7-coordinate geometry to one N(11), one N... |
LONWIW_clean | MgH4(C4O3)2 is Indium-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of four MgH4(C4O3)2 clusters. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a distorted T-shaped geometry to one O(1), one O(13), and one O(7) atom. T... |
NUDMOQ_clean | Mg3C14H8(NO5)2 crystallizes in the monoclinic C2/c space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one N(1), one O(1), one O(2), one O(3), and two equivalent O(5) atoms to form MgNO5 octahedra that share a cornercorner with one Mg(2)O6 octahedra, an edgeedge with one Mg(1)NO... |
PIGHIX_clean | Cu3C38H22(N3O4)2(CH)10 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of forty 02329_fluka molecules and four Cu3C38H22(N3O4)2 clusters. In each Cu3C38H22(N3O4)2 cluster, there are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted rectangula... |
SUFHIM_clean | Na2ZnH2(CO)10(CH)2 crystallizes in the trigonal R-3c space group. The structure consists of thirty-six 02329_fluka molecules inside a Na2ZnH2(CO)10 framework. In the Na2ZnH2(CO)10 framework, there are two inequivalent Na sites. In the first Na site, Na(1) is bonded to two equivalent O(1), two equivalent O(2), and two e... |
PAPVEJ_clean | ErC23H20(SO3)2(CH)4 crystallizes in the monoclinic P2_1/c space group. The structure consists of sixteen 02329_fluka molecules inside a ErC23H20(SO3)2 framework. In the ErC23H20(SO3)2 framework, Er(1) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and two equivalent O(6) atoms... |
TIFZIR_clean | Zn3P4(HO3)4 crystallizes in the monoclinic C2/c space group. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(1), one O(2), one O(5), and one O(6) atom to form ZnO4 tetrahedra that share corners with two equivalent P(1)HO3 tetrahedra and corners with two equivalent P(2)HO3 tetrahedra.... |
QODHUO10_clean | Ag2H18(C8N3)3(C4NH2)3 is Indium-derived structured and crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of eight Ag2H18(C8N3)3 clusters and eight C4NH2 clusters. In each Ag2H18(C8N3)3 cluster, there are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a ... |
OTODOS_clean | AgH20(C4N)4AgH16(C6N)2 is Indium-like structured and crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four AgH16(C6N)2 clusters and four AgH20(C4N)4 clusters. In each AgH16(C6N)2 cluster, Ag(2) is bonded in a linear geometry to two equivalent N(3) atoms. Both Ag(2)-N(3)... |
XUMFIV_clean | CuH8(C2N)4CuC18H12(NS)4CuC16H12(NS)2 is Indium-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one CuC16H12(NS)2 cluster, one CuC18H12(NS)4 cluster, and one CuH8(C2N)4 cluster. In the CuC16H12(NS)2 cluster, Cu(3) is bonded in a linear geometry to two ... |
OKIQAB_clean | ZnC20H14(NO)4(CH)4C2O is Indium-derived structured and crystallizes in the tetragonal I4_1/acd space group. The structure is zero-dimensional and consists of one hundred and twenty-eight 02329_fluka molecules, thirty-two dimethyl ether molecules, and thirty-two ZnC20H14(NO)4 clusters. In each ZnC20H14(NO)4 cluster, Zn(... |
GIZJOP_clean | Zn(C3H3N2)2 crystallizes in the orthorhombic Pbca space group. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a tetrahedral geometry to one N(1), one N(2), one N(3), and one N(4) atom. The Zn(1)-N(1) bond length is 1.99 Å. The Zn(1)-N(2) bond length is 1.99 Å. The Zn(1)-N(3) bond length i... |
GAQYIH_clean | Cd3H24(C3N2)4 crystallizes in the cubic Fd-3m space group. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a linear geometry to one N(2) and one N(3) atom. The Cd(1)-N(2) bond length is 2.45 Å. The Cd(1)-N(3) bond length is 2.39 Å. In the second Cd site, Cd(2) is bonded in a linear geometr... |
LEMVOP_clean | PrH13(C3N2)4 crystallizes in the monoclinic P2_1/c space group. There are four inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a distorted pentagonal bipyramidal geometry to one N(1), one N(11), one N(13), one N(3), one N(5), one N(7), and one N(9) atom. The Pr(1)-N(1) bond length is 2.58 Å. The Pr(1)-N... |
FERVIJ_clean | FeAu2H4(C4N3)2(C4NH2)2 crystallizes in the trigonal R-3m space group. The structure consists of six C4NH2 clusters inside a FeAu2H4(C4N3)2 framework. In each C4NH2 cluster, there are three inequivalent C sites. In the first C site, C(2) is bonded in a distorted single-bond geometry to one C(4) and one H(2) atom. The C(... |
YEDLAV_clean | Fe3C36O13 crystallizes in the hexagonal P-62c space group. Fe(1) is bonded to one O(3), two equivalent O(1), and two equivalent O(2) atoms to form corner-sharing FeO5 square pyramids. The Fe(1)-O(3) bond length is 2.10 Å. Both Fe(1)-O(1) bond lengths are 1.98 Å. Both Fe(1)-O(2) bond lengths are 1.95 Å. There are six in... |
GOLYOX_clean | Ni3C54H34(NO3)4C2O(C6H4SO2)3 is Indium-derived structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of six di-isopropenylsulfon molecules, two dimethyl ether molecules, and two Ni3C54H34(NO3)4 clusters. In each Ni3C54H34(NO3)4 cluster, there are three inequivalent... |
RAHNOF_clean | CuC12NH5O4 crystallizes in the cubic Fm-3m space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted square co-planar geometry to four equivalent O(1) atoms. All Cu(1)-O(1) bond lengths are 1.93 Å. In the second Cu site, Cu(2) is bonded in a distorted square co-planar geomet... |
CEJBEA_clean | Dy3C59N7H31O19(CH)9 crystallizes in the triclinic P-1 space group. The structure consists of eighteen 02329_fluka molecules inside a Dy3C59N7H31O19 framework. In the Dy3C59N7H31O19 framework, there are three inequivalent Dy sites. In the first Dy site, Dy(1) is bonded in a 9-coordinate geometry to one N(3), one N(4), o... |
UMOYOM08_clean | Cu(OOCC6H4COO)C17H6O is Indium-derived structured and crystallizes in the trigonal R-3m space group. The structure is zero-dimensional and consists of nine C17H6O clusters and nine Cu(OOCC6H4COO) clusters. In each C17H6O cluster, there are ten inequivalent C sites. In the first C site, C(4) is bonded in a distorted sin... |
AWAGEL_clean | CdH15(C3N)6(CH)2C7NH4 is Indium-derived structured and crystallizes in the monoclinic P2/c space group. The structure is zero-dimensional and consists of eight 02329_fluka molecules, four schembl5425382 molecules, and four CdH15(C3N)6 clusters. In each CdH15(C3N)6 cluster, Cd(1) is bonded in a T-shaped geometry to one ... |
TIQFIJ_clean | Ga3CP3O14 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(1), one O(11), one O(13), one O(14), one O(3), and one O(6) atom to form GaO6 octahedra that share a cornercorner with one P(2)O4 tetrahedra, a cornercorner with one P(3)O4 te... |
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