Materials Data on H6Os5Pt2(CO)17 by Materials Project [electronic resource]

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Ngôn ngữ: eng

Ký hiệu phân loại: 541.3 Miscellaneous topics in physical chemistry

Thông tin xuất bản: Washington, D.C. : Oak Ridge, Tenn. : United States. Dept. of Energy. Office of Science ; Distributed by the Office of Scientific and Technical Information, U.S. Dept. of Energy, 2016

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ID: 258401

Os2Pt2H3(CO)8(OsH(CO)3)3 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four Os2Pt2H3(CO)8 clusters and four OsH(CO)3 clusters. In each Os2Pt2H3(CO)8 cluster, there are two inequivalent Os2- sites. In the first Os2- site, Os2- is bonded in a 6-coordinate geometry to one Pt2-, three C+2.47+, and two H1+ atoms. The Os?Pt bond length is 2.74 �. There is one shorter (1.90 �) and two longer (1.92 �) Os?C bond length. Both Os?H bond lengths are 1.81 �. In the second Os2- site, Os2- is bonded in a 6-coordinate geometry to one Pt2-, three C+2.47+, and two H1+ atoms. The Os?Pt bond length is 2.73 �. There is one shorter (1.90 �) and two longer (1.92 �) Os?C bond length. There is one shorter (1.81 �) and one longer (1.84 �) Os?H bond length. There are two inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a distorted water-like geometry to two H1+ atoms. There is one shorter (1.73 �) and one longer (1.75 �) Pt?H bond length. In the second Pt2- site, Pt2- is bonded in a distorted water-like geometry to two Os2- and two C+2.47+ atoms. Both Pt?C bond lengths are 1.91 �. There are eight inequivalent C+2.47+ sites. In the first C+2.47+ site, C+2.47+ is bonded in a distorted linear geometry to one Pt2- and one O2- atom. The C?O bond length is 1.16 �. In the second C+2.47+ site, C+2.47+ is bonded in a distorted linear geometry to one Pt2- and one O2- atom. The C?O bond length is 1.16 �. In the third C+2.47+ site, C+2.47+ is bonded in a linear geometry to one Os2- and one O2- atom. The C?O bond length is 1.16 �. In the fourth C+2.47+ site, C+2.47+ is bonded in a distorted linear geometry to one Os2- and one O2- atom. The C?O bond length is 1.16 �. In the fifth C+2.47+ site, C+2.47+ is bonded in a linear geometry to one Os2- and one O2- atom. The C?O bond length is 1.16 �. In the sixth C+2.47+ site, C+2.47+ is bonded in a linear geometry to one Os2- and one O2- atom. The C?O bond length is 1.16 �. In the seventh C+2.47+ site, C+2.47+ is bonded in a linear geometry to one Os2- and one O2- atom. The C?O bond length is 1.16 �. In the eighth C+2.47+ site, C+2.47+ is bonded in a linear geometry to one Os2- and one O2- atom. The C?O bond length is 1.16 �. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a water-like geometry to one Os2- and one Pt2- atom. In the second H1+ site, H1+ is bonded in a water-like geometry to one Os2- and one Pt2- atom. In the third H1+ site, H1+ is bonded in a water-like geometry to two Os2- atoms. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C+2.47+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+2.47+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C+2.47+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one C+2.47+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one C+2.47+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one C+2.47+ atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to one C+2.47+ atom. In the eighth O2- site, O2- is bonded in a single-bond geometry to one C+2.47+ atom. In each OsH(CO)3 cluster, there are three inequivalent Os2- sites. In the first Os2- site, Os2- is bonded in a 6-coordinate geometry to three C+2.47+ and two H1+ atoms. There are a spread of Os?C bond distances ranging from 1.90?1.92 �. There is one shorter (1.81 �) and one longer (1.83 �) Os?H bond length. In the second Os2- site, Os2- is bonded in a 5-coordinate geometry to three C+2.47+ and two H1+ atoms. All Os?C bond lengths are 1.91 �. Both Os?H bond lengths are 1.81 �. In the third Os2- site, Os2- is bonded in a 6-coordinate geometry to three C+2.47+ and two H1+ atoms. There is two shorter (1.91 �) and one longer (1.92 �) Os?C bond length. There is one shorter (1.82 �) and one longer (1.84 �) Os?H bond length. There are nine inequivalent C+2.47+ sites. In the first C+2.47+ site, C+2.47+ is bonded in a linear geometry to one Os2- and one O2- atom. The C?O bond length is 1.16 �. In the second C+2.47+ site, C+2.47+ is bonded in a distorted linear geometry to one Os2- and one O2- atom. The C?O bond length is 1.16 �. In the third C+2.47+ site, C+2.47+ is bonded in a linear geometry to one Os2- and one O2- atom. The C?O bond length is 1.16 �. In the fourth C+2.47+ site, C+2.47+ is bonded in a distorted linear geometry to one Os2- and one O2- atom. The C?O bond length is 1.16 �. In the fifth C+2.47+ site, C+2.47+ is bonded in a linear geometry to one Os2- and one O2- atom. The C?O bond length is 1.16 �. In the sixth C+2.47+ site, C+2.47+ is bonded in a linear geometry to one Os2- and one O2- atom. The C?O bond length is 1.16 �. In the seventh C+2.47+ site, C+2.47+ is bonded in a distorted linear geometry to one Os2- and one O2- atom. The C?O bond length is 1.16 �. In the eighth C+2.47+ site, C+2.47+ is bonded in a linear geometry to one Os2- and one O2- atom. The C?O bond length is 1.16 �. In the ninth C+2.47+ site, C+2.47+ is bonded in a linear geometry to one Os2- and one O2- atom. The C?O bond length is 1.16 �. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a water-like geometry to two Os2- atoms. In the second H1+ site, H1+ is bonded in a water-like geometry to two Os2- atoms. In the third H1+ site, H1+ is bonded in a water-like geometry to two Os2- atoms. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C+2.47+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+2.47+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C+2.47+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one C+2.47+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one C+2.47+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one C+2.47+ atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to one C+2.47+ atom. In the eighth O2- site, O2- is bonded in a single-bond geometry to one C+2.47+ atom. In the ninth O2- site, O2- is bonded in a single-bond geometry to one C+2.47+ atom.
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