name stringlengths 9 16 | description stringlengths 419 314k |
|---|---|
RUGKOV_clean | Zn5C26H16(N9O4)2 crystallizes in the orthorhombic P2_12_12 space group. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a distorted tetrahedral geometry to one N(5), one N(6), one N(7), and one O(2) atom. The Zn(1)-N(5) bond length is 1.99 Å. The Zn(1)-N(6) bond length is 2.01 Å. The Zn(... |
YAQCAW_clean | In4P7H9O28 crystallizes in the trigonal P-3c1 space group. There are three inequivalent In sites. In the first In site, In(1) is bonded to one O(3), one O(5), one O(6), one O(8), and one O(9) atom to form InO5 square pyramids that share a cornercorner with one P(1)O4 tetrahedra, a cornercorner with one P(3)O4 tetrahe... |
IXAZEO_clean | KLa(CO2)5 crystallizes in the monoclinic C2/c space group. K(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(4), and one O(7) atom. The K(1)-O(1) bond length is 2.95 Å. The K(1)-O(2) bond length is 2.93 Å. The K(1)-O(4) bond length is 2.64 Å. The K(1)-O(7) bond length is 2.78 Å. La(1) is bonded in ... |
SUSZOW_clean | AlPO4 is Low Tridymite-derived structured and crystallizes in the orthorhombic Iba2 space group. There are four inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(10), one O(2), one O(4), and one O(5) atom to form AlO4 tetrahedra that share a cornercorner with one P(2)O4 tetrahedra, a cornercorner ... |
WAWGOQ_clean | ZnC24H13(NO2)2 crystallizes in the monoclinic C2/c space group. The structure consists of a ZnC24H13(NO2)2 framework. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a rectangular see-saw-like geometry to one N(1), one N(2), one N(3), and one N(4) atom. The Zn(1)-N(1) bond length is 2.06 Å... |
WULJUJ_clean | CuH2(C3O2)2 crystallizes in the cubic Fm-3m space group. Cu(1) is bonded in a distorted rectangular see-saw-like geometry to four equivalent O(1) atoms. All Cu(1)-O(1) bond lengths are 1.95 Å. There are three inequivalent C sites. In the first C site, C(3) is bonded in a distorted single-bond geometry to two equivalent... |
INOMOP_clean | CaC6H2SO4 crystallizes in the monoclinic P2_1/c space group. Ca(1) is bonded in a 5-coordinate geometry to one O(3), two equivalent O(1), and two equivalent O(2) atoms. The Ca(1)-O(3) bond length is 2.37 Å. There is one shorter (2.29 Å) and one longer (2.83 Å) Ca(1)-O(1) bond length. There is one shorter (2.34 Å) and o... |
POVXII_clean | Mn3H6(C5O6)2(CH3)2 crystallizes in the orthorhombic Pnma space group. The structure consists of eight 02329_fluka molecules inside a Mn3H6(C5O6)2 framework. In the Mn3H6(C5O6)2 framework, there are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(6), two equivalent O(1), two equivalent O(4), ... |
QOZGAP_clean | CuC14H8(N4O3)2 crystallizes in the monoclinic P2_1/c space group. Cu(1) is bonded in a distorted square co-planar geometry to two equivalent N(1), two equivalent O(2), and two equivalent O(3) atoms. Both Cu(1)-N(1) bond lengths are 1.98 Å. Both Cu(1)-O(2) bond lengths are 2.51 Å. Both Cu(1)-O(3) bond lengths are 2.01 Å... |
UNECUN_clean | CdZn2C18H6O13 crystallizes in the tetragonal I4cm space group. Cd(1) is bonded to one O(7), two equivalent O(1), and two equivalent O(6) atoms to form CdO5 square pyramids that share corners with two equivalent Zn(1)O4 tetrahedra. The Cd(1)-O(7) bond length is 2.17 Å. Both Cd(1)-O(1) bond lengths are 2.16 Å. Both Cd(1)... |
WAHGIY_clean | CuC20N5H13O6 is Hg_xSn structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two CuC20N5H13O6 clusters. Cu(1) is bonded in a trigonal bipyramidal geometry to one N(1), one N(4), one O(1), one O(2), and one O(3) atom. The Cu(1)-N(1) bond length is 2.03 Å. The... |
XOTXAG_clean | NaLaC14H4O11 crystallizes in the monoclinic P2_1/c space group. Na(1) is bonded in a distorted rectangular see-saw-like geometry to one O(10), one O(9), and two equivalent O(11) atoms. The Na(1)-O(10) bond length is 2.57 Å. The Na(1)-O(9) bond length is 2.46 Å. There is one shorter (2.41 Å) and one longer (2.46 Å) Na(1... |
PAPVIN_clean | TmC23H20(SO3)2(CH)4 crystallizes in the monoclinic P2_1/c space group. The structure consists of sixteen 02329_fluka molecules inside a TmC23H20(SO3)2 framework. In the TmC23H20(SO3)2 framework, Tm(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... |
HIBGEF_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(2), one O(3), one O(4), one O(5), and one O(6) atom to form a mixture of edge and corner-sharing MgO6 octahedra. The corner-sharing octahedral tilt angles range fro... |
ILAXEA_clean | CuH16(C7N3)4(CH)8 crystallizes in the tetragonal I4_1/a space group. The structure consists of sixty-four 02329_fluka molecules inside a CuH16(C7N3)4 framework. In each CuH16(C7N3)4 framework, Cu(1) is bonded in a rectangular see-saw-like geometry to two equivalent N(3) and two equivalent N(6) atoms. Both Cu(1)-N(3) bo... |
HAWWEK_clean | CuH8(C2N)4 is Indium-like structured and crystallizes in the orthorhombic Fdd2 space group. The structure is zero-dimensional and consists of eight CuH8(C2N)4 clusters. Cu(1) is bonded in a tetrahedral geometry to two equivalent N(1) and two equivalent N(2) atoms. Both Cu(1)-N(1) bond lengths are 2.02 Å. Both Cu(1)-N(2... |
IYOWID_manual | ZnC23NH14O4 crystallizes in the triclinic P1 space group. Zn(1,2,3,4,5,6,7,8,9,10,11,12) is bonded in a square pyramidal geometry to one N(1,2,3,4,5,6,10) and four equivalent O(1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48) atoms. ... |
VAHPUR_clean | DyH8(C2O)8CuH12(C7N2)2(C3H2)6 is Indium-derived structured and crystallizes in the tetragonal I-4 space group. The structure is zero-dimensional and consists of twenty-four 2,3-dimethyl-1,3-butadiene molecules; eight CuH12(C7N2)2 clusters; and eight DyH8(C2O)8 clusters. In each CuH12(C7N2)2 cluster, Cu(1) is bonded in ... |
HEGNAJ_clean | CrCoGa2C8P4H26(N3O8)2 crystallizes in the trigonal R3 space group. Cr(1) is bonded to one N(1), one N(2), one N(3), one O(1), one O(15), and one O(16) atom to form CrN3O3 octahedra that share a cornercorner with one P(1)O4 tetrahedra and corners with two equivalent P(4)O4 tetrahedra. The Cr(1)-N(1) bond length is 2.07... |
ZELROZ_manual | Zn4C42H24O19 crystallizes in the triclinic P1 space group. There are four inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(1); one O(10,11); one O(15,17); and one O(2,7) atom to form corner-sharing ZnO4 tetrahedra. The Zn(1)-O(1) bond length is 1.94 Å. The Zn(1)-O(10,11) bond length is 1.94 Å. The ... |
GACVIS_clean | Ni3C18H6O13 crystallizes in the orthorhombic Imm2 space group. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(4) and four equivalent O(1) atoms to form distorted corner-sharing NiO5 square pyramids. The Ni(1)-O(4) bond length is 1.94 Å. All Ni(1)-O(1) bond lengths are 2.07 Å. In the... |
GITTOT01_manual | Co3H29(C2N)12 crystallizes in the triclinic P1 space group. There are six inequivalent Co sites. In the first Co site, Co(1) is bonded in a tetrahedral geometry to one N(1), one N(15), one N(16), and one N(2) atom. The Co(1)-N(1) bond length is 1.99 Å. The Co(1)-N(15) bond length is 1.99 Å. The Co(1)-N(16) bond length ... |
WILNEL02_clean | FeH42(C3N4)6 crystallizes in the trigonal R3 space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in an octahedral geometry to three equivalent N(16) and three equivalent N(8) atoms. All Fe(1)-N(16) bond lengths are 2.18 Å. All Fe(1)-N(8) bond lengths are 2.19 Å. In the second Fe site... |
YIRHOY_clean | Er4(P2O7)3 crystallizes in the cubic I2_13 space group. There are two inequivalent Er sites. In the first Er site, Er(1) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form distorted ErO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra. All Er(1)-O(1) bond lengths are 2.31 Å. A... |
EQUBIC_clean | TbC6H4SO6CH crystallizes in the tetragonal P-42_1c space group. The structure consists of eight 02329_fluka molecules inside a TbC6H4SO6 framework. In the TbC6H4SO6 framework, Tb(1) is bonded to one O(1), one O(2), one O(4), one O(5), and three equivalent O(6) atoms to form distorted edge-sharing TbO7 pentagonal bipyra... |
XUFYEE_clean | Mg6C32H32O21(C5H3)8 is Indium-derived structured and crystallizes in the cubic Im-3 space group. The structure is zero-dimensional and consists of sixteen 1,3,5-triisopropenyl benzene molecules and six Mg6C32H32O21 clusters. In each Mg6C32H32O21 cluster, there are two inequivalent Mg sites. In the first Mg site, Mg(1) ... |
IXAMEA_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 2.00 Å. The Fe(1)-O(3) bond length is 1.94 Å. Both Fe(1)-O(1) bond lengths ... |
XALXUF_clean | CuC9H4(NO2)2 is Copper structured and crystallizes in the tetragonal I4/m space group. The structure is zero-dimensional and consists of two CuC9H4(NO2)2 clusters. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to one O(11), one O(5), one O(6), and one O(9) at... |
CEFDAU_clean | Zn(CO2)4(CH)2(CH2)2 is Indium-derived structured and crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of eight 02329_fluka molecules, eight 02329_fluka molecules, and four Zn(CO2)4 clusters. In each Zn(CO2)4 cluster, Zn(1) is bonded in a tetrahedral geometry to two equival... |
WILDUR_clean | Ag2H10(C3N2)5 crystallizes in the tetragonal P4_2/mnm space group. Ag(1) is bonded in a square pyramidal geometry to one N(3), two equivalent N(1), and two equivalent N(2) atoms. The Ag(1)-N(3) bond length is 2.43 Å. Both Ag(1)-N(1) bond lengths are 2.47 Å. Both Ag(1)-N(2) bond lengths are 2.42 Å. There are five inequi... |
XUVQOW_clean | Cd2H9(C2O)12 crystallizes in the orthorhombic P2_12_12_1 space group. There are four inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 7-coordinate geometry to one O(20), one O(21), one O(3), one O(4), one O(5), one O(6), and one O(7) atom. The Cd(1)-O(20) bond length is 2.30 Å. The Cd(1)-O(21) bond len... |
KUVMIZ_clean | CuSiH31(C13N)4 crystallizes in the monoclinic C2/c space group. The structure consists of a CuSiH31(C13N)4 framework. Cu(1) is bonded in a rectangular see-saw-like geometry to one N(1), one N(2), one N(3), and one N(4) atom. The Cu(1)-N(1) bond length is 2.07 Å. The Cu(1)-N(2) bond length is 2.02 Å. The Cu(1)-N(3) bond... |
EMIYEF_clean | Mo6CoC20H16(N4O3)3(CH)4 crystallizes in the triclinic P-1 space group. The structure consists of four 02329_fluka molecules inside a Mo6CoC20H16(N4O3)3 framework. In the Mo6CoC20H16(N4O3)3 framework, there are three inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 5-coordinate geometry to one N(2), one... |
GAFRUD_clean | Cu2C22NH11O8 crystallizes in the hexagonal P6_3/mmc space group. Cu(1) is bonded in a distorted square co-planar 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 1.95 Å. There are nine inequivalent C sites. In the first C site, C(8)... |
IXEJOL_clean | Mo8Co8C10P12N5H22O56(C3H2)5 is Indium-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of eight 2,3-dimethyl-1,3-butadiene molecules; four propylene molecules; and two Mo8Co8C10P12N5H22O56 clusters. In each Mo8Co8C10P12N5H22O56 cluster, there are e... |
ADUWIH_clean | ZnC8H4O4(CH)4(C3H2O)2 crystallizes in the cubic Pn-3 space group. The structure is zero-dimensional and consists of forty-eight 02329_fluka molecules; four 1,2,3,4,5,6-hexakis(methoxymethyl)benzene molecules; and four ZnC8H4O4 clusters. In each ZnC8H4O4 cluster, there are two inequivalent Zn sites. In the first Zn site... |
UDANEV_clean | In4C15H3(NO2)6 crystallizes in the cubic I4_132 space group. There are two inequivalent In sites. In the first In site, In(1) is bonded in a 4-coordinate geometry to two equivalent N(1) and two equivalent O(2) atoms. Both In(1)-N(1) bond lengths are 2.13 Å. Both In(1)-O(2) bond lengths are 2.34 Å. In the second In site... |
XEHSIN_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... |
HUXWAY_clean | Tb2Cu3H24(C4O5)6 crystallizes in the hexagonal P6/mcc space group. Tb(1) is bonded in a 9-coordinate geometry to three equivalent O(3) and six equivalent O(1) atoms. All Tb(1)-O(3) bond lengths are 2.47 Å. All Tb(1)-O(1) bond lengths are 2.39 Å. Cu(1) is bonded in a square co-planar geometry to four equivalent O(2) ato... |
MILROQ_clean | Cu9C74N13H62O12(CH)3 crystallizes in the tetragonal P4_2/nmc space group. The structure consists of eight propylene molecules inside a Cu9C74N13H62O12 framework. In each Cu9C74N13H62O12 framework, there are seven inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a linear geometry to one N(3) and one N(7) ... |
JUSHIQ_clean | Ni3C22H12(NO7)2(C3H2)2 crystallizes in the monoclinic P2_1/c space group. The structure consists of two 2,3-dimethyl-1,3-butadiene molecules inside a Ni3C22H12(NO7)2 framework. In the Ni3C22H12(NO7)2 framework, there are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a rectangular see-saw-like geom... |
YOZYOD_clean | Zn3H14(C2O)16 crystallizes in the monoclinic C2/c space group. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a trigonal pyramidal geometry to one O(1), one O(3), one O(7), and one O(8) atom. The Zn(1)-O(1) bond length is 1.95 Å. The Zn(1)-O(3) bond length is 1.93 Å. The Zn(1)-O(7) bond l... |
UMOYOM09_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... |
TAGTED_clean | MgC6SO4 crystallizes in the monoclinic C2 space group. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 5-coordinate geometry to one O(11), one O(12), one O(3), one O(4), and one O(9) atom. The Mg(1)-O(11) bond length is 2.15 Å. The Mg(1)-O(12) bond length is 2.04 Å. The Mg(1)-O(3) bond... |
TUNDAJ_clean | AgH4(C4N3)2(CH)2 crystallizes in the cubic I-43d space group. The structure consists of forty-eight 02329_fluka molecules inside a AgH4(C4N3)2 framework. In each AgH4(C4N3)2 framework, Ag(1) is bonded in a 6-coordinate geometry to two equivalent N(1), two equivalent N(2), and two equivalent N(3) atoms. Both Ag(1)-N(1) ... |
QODHUO_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 ... |
EQERIC_clean | CoH9(C5N2)3 crystallizes in the monoclinic P2_1/c space group. Co(1) is bonded in a tetrahedral geometry to one N(1), one N(3), one N(5), and one N(6) atom. The Co(1)-N(1) bond length is 2.02 Å. The Co(1)-N(3) bond length is 2.00 Å. The Co(1)-N(5) bond length is 1.99 Å. The Co(1)-N(6) bond length is 1.99 Å. There are f... |
UFEXOT_clean | Er6Cu3C30H20(N4O9)3 crystallizes in the trigonal R-3 space group. Er(1) is bonded in a 9-coordinate geometry to one N(1), one O(2), one O(5), one O(6), two equivalent O(1), and three equivalent O(4) atoms. The Er(1)-N(1) bond length is 2.51 Å. The Er(1)-O(2) bond length is 2.37 Å. The Er(1)-O(5) bond length is 2.58 Å. ... |
QODHUO11_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 ... |
KOVJAI_clean | UC12H6O6Cl is Indium-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one UC12H6O6Cl cluster. U(1) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), one O(6), and one Cl(1) atom. The U(1)-O(1) bond length is 2.48... |
ONAWAC_clean | CuH16(CN)12(CH2)8 crystallizes in the orthorhombic Fddd space group. The structure is zero-dimensional and consists of thirty-two ethane molecules and eight CuH16(CN)12 clusters. In each CuH16(CN)12 cluster, Cu(1) is bonded in a rectangular see-saw-like geometry to four equivalent N(1) atoms. All Cu(1)-N(1) bond length... |
TAVQEN_clean | Al2P2O8F crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent F(1) atoms to form AlO4F2 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P... |
REHMEY_clean | CdC27H21(N2O3)2(C3H2)3CH is Indium-derived structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two 02329_fluka molecules; three 2,3-dimethyl-1,3-butadiene molecules; and two CdC27H21(N2O3)2 clusters. In each CdC27H21(N2O3)2 cluster, Cd(1) is bonded in a 6-coor... |
VEHKIE_SL | Zn9H20(C27O19)2 crystallizes in the cubic I23 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(7) atom to form corner-sharing ZnO4 tetrahedra. The Zn(1)-O(1) bond length is 2.00 Å. The Zn(1)-O(2) bond length is 1.95 Å. The Zn(1)-O(5) bond... |
ZOZCIC_clean | U2H30(C9O4)3(CH)6(CH2)3 crystallizes in the triclinic P1 space group. The structure consists of twelve 02329_fluka molecules and six 02329_fluka molecules inside a U2H30(C9O4)3 framework. In the U2H30(C9O4)3 framework, there are four inequivalent U sites. In the first U site, U(1) is bonded in a hexagonal planar geomet... |
NAJSUP_clean | EuC19H9O6 crystallizes in the monoclinic C2/c space group. Eu(1) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(3), one O(5), one O(6), and two equivalent O(4) atoms. The Eu(1)-O(1) bond length is 2.38 Å. The Eu(1)-O(2) bond length is 2.42 Å. The Eu(1)-O(3) bond length is 2.38 Å. The Eu(1)-O(5) bond ... |
GIRXUC_clean | Zn2H3(C3O2)3 crystallizes in the cubic P2_13 space group. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a trigonal non-coplanar geometry to three equivalent O(1) atoms. All Zn(1)-O(1) bond lengths are 1.92 Å. In the second Zn site, Zn(2) is bonded in a distorted T-shaped geometry to thre... |
DIHVIB_clean | CuH2(C3O2)2 crystallizes in the cubic Fm-3m space group. 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 1.85 Å. There are three inequivalent C sites. In the first C site, C(3) is bonded in a single-bond geometry to two equivalent C(2) and one H(1)... |
FESTUT_clean | Zn3P4(HO3)4 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(2), one O(3), one O(4), and one O(5) 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... |
ROCZAM_clean | Cd3C24H16(N5O4)2 is Hg_xSn structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two Cd3C24H16(N5O4)2 clusters. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to one N(1), one N(2), one N(3), one O(2), and one O(4) atom to form co... |
KEFBOO_clean | ZnC9H3O4 crystallizes in the trigonal R-3m space group. Zn(1) is bonded in a distorted square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. Both Zn(1)-O(1) bond lengths are 2.04 Å. Both Zn(1)-O(2) bond lengths are 2.05 Å. There are six inequivalent C sites. In the first C site, C(1) is bonded... |
DUZPUL_clean | ZnH3(C2O)4 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 5-coordinate geometry to one O(1), one O(3), one O(5), one O(6), and one O(8) atom. The Zn(1)-O(1) bond length is 1.96 Å. The Zn(1)-O(3) bond length is 1.99 Å. The Zn(1)-O(5) bon... |
CAXWIJ_clean | FeC4HO3 crystallizes in the trigonal R-3 space group. Fe(1) is bonded to one O(2), two equivalent O(1), and two equivalent O(3) atoms to form distorted edge-sharing FeO5 square pyramids. The Fe(1)-O(2) bond length is 2.15 Å. There is one shorter (1.98 Å) and one longer (2.09 Å) Fe(1)-O(1) bond length. There is one shor... |
HAWWIN_clean | Nd2C18H6(SO4)3 crystallizes in the monoclinic P2/c space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 7-coordinate geometry to one O(1), one O(10), one O(2), one O(5), one O(6), and two equivalent O(9) atoms. The Nd(1)-O(1) bond length is 2.46 Å. The Nd(1)-O(10) bond length is ... |
AWAHEM_clean | U5Mn2P6H12(C2O5)6 crystallizes in the triclinic P-1 space group. There are five inequivalent U sites. In the first U site, U(1) is bonded in a distorted pentagonal planar geometry to one O(11), one O(3), one O(6), and two equivalent O(2) atoms. The U(1)-O(11) bond length is 2.34 Å. The U(1)-O(3) bond length is 2.47 Å. ... |
ROYJUM_clean | Ni3C30N15H30O13(C4NH2)3 is Indium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is zero-dimensional and consists of two C4NH2 clusters and two Ni3C30N15H30O13 clusters. In each C4NH2 cluster, there are three inequivalent C sites. In the first C site, C(2) is bonded in a trigon... |
ZOYKAB_clean | MnC7H3O4CH crystallizes in the tetragonal P4_3 space group. The structure consists of eight 02329_fluka molecules inside a MnC7H3O4 framework. In the MnC7H3O4 framework, there are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in an octahedral geometry to one O(1), one O(2), one O(3), one O(4), one O(... |
OCUMOR_clean | Mn2C16N2H6O13 crystallizes in the monoclinic C2/c space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 6-coordinate geometry to one H(6), one O(1), one O(3), one O(5), one O(6), and one O(7) atom. The Mn(1)-H(6) bond length is 1.98 Å. The Mn(1)-O(1) bond length is 2.12 Å. The Mn(... |
LUDVIP_clean | ZnC28H16(N4I)2(ZnC4H4(NI)2)2 is Indium-like structured and crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of eight ZnC28H16(N4I)2 clusters and sixteen ZnC4H4(NI)2 clusters. In each ZnC28H16(N4I)2 cluster, Zn(1) is bonded in a distorted tetrahedral geometry to one N(12), ... |
QQQGTA02_clean | CdCH2C2O4 crystallizes in the trigonal R-3 space group. Cd(1) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form distorted corner-sharing CdO6 pentagonal pyramids. The Cd(1)-O(2) bond length is 2.30 Å. The Cd(1)-O(4) bond length is 2.32 Å. There is one shorter (2.28 Å) and one l... |
ETEPID_clean | RbC42N28H42O15 crystallizes in the tetragonal I4_1 space group. Rb(1) is bonded in a 7-coordinate geometry to one H(17), one O(12), one O(3), two equivalent O(1), and two equivalent O(2) atoms. The Rb(1)-H(17) bond length is 3.04 Å. The Rb(1)-O(12) bond length is 2.95 Å. The Rb(1)-O(3) bond length is 3.15 Å. There is o... |
WOTSEF_clean | CdC12N5H10O crystallizes in the orthorhombic P2_12_12_1 space group. Cd(1) is bonded in a distorted trigonal bipyramidal geometry to one N(1), one N(3), one N(4), one N(5), and one O(1) atom. The Cd(1)-N(1) bond length is 2.48 Å. The Cd(1)-N(3) bond length is 2.33 Å. The Cd(1)-N(4) bond length is 2.46 Å. The Cd(1)-N(5)... |
YAPLUY_clean | CuH6(C4N3)2 crystallizes in the cubic Ia-3d space group. Cu(1) is bonded in a square pyramidal geometry to one N(1), one N(2), one N(3), one N(4), and one N(5) atom. The Cu(1)-N(1) bond length is 1.95 Å. The Cu(1)-N(2) bond length is 2.20 Å. The Cu(1)-N(3) bond length is 1.96 Å. The Cu(1)-N(4) bond length is 2.00 Å. Th... |
GUTYIE_clean | ZnH2(C5O4)2 crystallizes in the monoclinic C2/c space group. Zn(1) is bonded in a distorted trigonal pyramidal geometry to two equivalent O(1) and two equivalent O(3) atoms. Both Zn(1)-O(1) bond lengths are 1.95 Å. Both Zn(1)-O(3) bond lengths are 1.95 Å. There are five inequivalent C sites. In the first C site, C(1) i... |
ZETMES_clean | TbCd2C10H6(N2O5)2 crystallizes in the monoclinic P2_1/c space group. Tb(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(6), one O(8), and two equivalent O(7) atoms. The Tb(1)-O(2) bond length is 2.28 Å. The Tb(1)-O(3) bond length is 2.38 Å. The Tb(1)-O(6) bond length is 2.24 Å. The Tb(1)-O(8) bond ... |
COXHIH_clean | Ni(CO2)3 crystallizes in the cubic I4_132 space group. Ni(1) is bonded in an octahedral geometry to six equivalent O(1) atoms. All Ni(1)-O(1) bond lengths are 2.08 Å. C(1) is bonded in a distorted bent 120 degrees geometry to two equivalent O(1) atoms. Both C(1)-O(1) bond lengths are 1.25 Å. O(1) is bonded in a bent 12... |
WOWHEV_clean | V6Ni4C20N8H12O23 crystallizes in the tetragonal I4 space group. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form VO4 tetrahedra that share a cornercorner with one Ni(1)N2O4 octahedra, a cornercorner with one Ni(2)N2O4 octahedra, and ... |
BEPVEZ_clean | Cu3H21(C5N2)4 crystallizes in the triclinic P-1 space group. The structure consists of a Cu3H21(C5N2)4 framework. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted trigonal planar geometry to one C(20), one N(5), and one N(6) atom. The Cu(1)-C(20) bond length is 1.85 Å. The Cu(... |
DUQYEU01_clean | Dy(CO2)4 crystallizes in the monoclinic P2_1/c space group. Dy(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 Dy(1)-O(1) bond length is 2.39 Å. The Dy(1)-O(2) bond length is 2.43 Å. The Dy(1)-O(3) bond length is 2.43 Å. The Dy(1)-O... |
EQAMUG_clean | NdC12H3(NO5)2 crystallizes in the orthorhombic Pbca space group. Nd(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(6), two equivalent O(4), and two equivalent O(5) atoms. The Nd(1)-O(1) bond length is 2.49 Å. The Nd(1)-O(2) bond length is 2.45 Å. The Nd(1)-O(3) bond length is 2.38 Å. The... |
DOJYAD_clean | DyH6(C7O4)2(CH)2 crystallizes in the orthorhombic Pnna space group. The structure consists of eight 02329_fluka molecules inside a DyH6(C7O4)2 framework. In the DyH6(C7O4)2 framework, Dy(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) ato... |
OWIHUZ_clean | InC8H4O5 crystallizes in the tetragonal I4_122 space group. In(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing InO6 octahedra. The corner-sharing octahedral tilt angles are 62°. Both In(1)-O(1) bond lengths are 2.12 Å. Both In(1)-O(2) bond lengths are 2.18 ... |
UMOBEF01_clean | CuC21H13O5 crystallizes in the trigonal R-3m space group. Cu(1) is bonded in a distorted square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. Both Cu(1)-O(1) bond lengths are 1.95 Å. Both Cu(1)-O(2) bond lengths are 1.96 Å. There are twelve inequivalent C sites. In the first C site, C(5) is b... |
AXUHAD_clean | CoC12H8(NO2)2(C11H13SO)2 is Indium-derived structured and crystallizes in the tetragonal I4_1/acd space group. The structure is zero-dimensional and consists of eight 15,35,55,75-tetra-tert-butyl-12,32,52,72-tetramethoxy-2,4,6,8-tetrathia-1,3,5,7(1,3)-tetrabenzenacyclooctaphane molecules and sixteen CoC12H8(NO2)2 clust... |
EBAWIQ_clean | NiC18H12(NO)4(C5H3)2 is Indium-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four 1,3,5-triisopropenyl benzene molecules and two NiC18H12(NO)4 clusters. In each NiC18H12(NO)4 cluster, there are two inequivalent Ni sites. In the first Ni site,... |
LITCIC_clean | Ni2C26H12O9(CH3CO)4 crystallizes in the triclinic P-1 space group. The structure consists of eight dimethyl ether molecules inside a Ni2C26H12O9 framework. In the Ni2C26H12O9 framework, there are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(11), one O(12), and two equivalent O(10)... |
SUQHUJ_clean | In3H6(C9O8)2 crystallizes in the trigonal R32 space group. In(1) is bonded to one O(4), two equivalent O(1), and two equivalent O(2) atoms to form corner-sharing InO5 square pyramids. The In(1)-O(4) bond length is 2.04 Å. Both In(1)-O(1) bond lengths are 2.17 Å. Both In(1)-O(2) bond lengths are 2.15 Å. There are three ... |
WAHMUP_clean | CuH16(CN)12CuH8(CN)6 is Indium-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one CuH16(CN)12 cluster and one CuH8(CN)6 cluster. In the CuH16(CN)12 cluster, Cu(1) is bonded in a square co-planar geometry to two equivalent N(6) and two equivalent N(7)... |
UMODEH21_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 rectangular see-saw-like geometry to two equivalent O(1) and two equivalent O(2) atoms. Both Cu(1)-O(1) bond lengths are ... |
HOGJUK_clean | Cr3Mn2(CO2)18 crystallizes in the monoclinic C2/c space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in an octahedral geometry to one O(10), one O(11), one O(12), one O(7), one O(8), and one O(9) atom. The Cr(1)-O(10) bond length is 1.98 Å. The Cr(1)-O(11) bond length is 1.97 Å. The... |
HAJLEK_clean | FeC22H28(N5S)2 crystallizes in the trigonal R-3 space group. Fe(1) is bonded in an octahedral geometry to two equivalent N(1), two equivalent N(2), and two equivalent N(4) atoms. Both Fe(1)-N(1) bond lengths are 2.10 Å. Both Fe(1)-N(2) bond lengths are 2.25 Å. Both Fe(1)-N(4) bond lengths are 2.39 Å. There are eleven i... |
UDUMIP_clean | Ag3H8(C3O2)6 crystallizes in the orthorhombic Fddd space group. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a 3-coordinate geometry to one O(2), one O(5), and one O(6) atom. The Ag(1)-O(2) bond length is 2.56 Å. The Ag(1)-O(5) bond length is 2.26 Å. The Ag(1)-O(6) bond length is 2.23 Å... |
ULEGOH_clean | CuC11NH12O3(CH)3 crystallizes in the cubic Ia-3d space group. The structure consists of two hundred and eighty-eight 02329_fluka molecules inside a CuC11NH12O3 framework. In the CuC11NH12O3 framework, Cu(1) is bonded to one N(1), one O(2), one O(3), and two equivalent O(1) atoms to form distorted CuNO4 square pyramids ... |
VAGMEX_clean | ZnC20NH12O4 crystallizes in the orthorhombic Imma space group. Zn(1) is bonded in a distorted square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. Both Zn(1)-O(1) bond lengths are 2.09 Å. Both Zn(1)-O(2) bond lengths are 2.03 Å. There are eleven inequivalent C sites. In the first C site, C(10... |
PIBNUK_clean | ZnC16H8(NO2)2 crystallizes in the cubic P4_332 space group. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in an octahedral geometry to six equivalent O(1) atoms. All Zn(1)-O(1) bond lengths are 2.08 Å. In the second Zn site, Zn(2) is bonded in a trigonal planar geometry to three equivalent ... |
SEYFAE_clean | ErC5PNH7O7 crystallizes in the orthorhombic P2_12_12_1 space group. Er(1) is bonded in a 6-coordinate geometry to one N(1), one O(1), one O(2), one O(4), one O(6), and one O(7) atom. The Er(1)-N(1) bond length is 2.66 Å. The Er(1)-O(1) bond length is 2.31 Å. The Er(1)-O(2) bond length is 2.35 Å. The Er(1)-O(4) bond len... |
BOPHIZ_clean | Cd3C41H17O16(CH)3 crystallizes in the triclinic P-1 space group. The structure consists of six 02329_fluka molecules inside a Cd3C41H17O16 framework. In the Cd3C41H17O16 framework, there are three inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 6-coordinate geometry to one O(1), one O(3), one O(4), on... |
NATKOL_clean | Cu2C57H32(N3O2)4(CH)4 crystallizes in the tetragonal P4_22_12 space group. The structure consists of sixteen 02329_fluka molecules inside a Cu2C57H32(N3O2)4 framework. In each Cu2C57H32(N3O2)4 framework, 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.... |
INIQUR_clean | Fe2Ni3C26N21H42(CH2)4 crystallizes in the monoclinic C2/c space group. The structure consists of sixteen 02329_fluka molecules inside a Fe2Ni3C26N21H42 framework. In the Fe2Ni3C26N21H42 framework, Fe(1) is bonded in an octahedral geometry to one C(1), one C(2), one C(3), one C(4), one C(5), and one C(6) atom. The Fe(1)... |
NIVWIY_clean | GdC2O5 crystallizes in the orthorhombic Amm2 space group. Gd(1) is bonded in a 8-coordinate geometry to one O(2), one O(3), two equivalent O(4), and four equivalent O(1) atoms. The Gd(1)-O(2) bond length is 2.42 Å. The Gd(1)-O(3) bond length is 2.41 Å. Both Gd(1)-O(4) bond lengths are 2.46 Å. There are two shorter (2.4... |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.