Crystallography Open Database

Information card for entry 4100680

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Coordinates	4100680.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H132 Ir6 O10 P4 Pt4
Calculated formula	C64 H132 Ir6 O10 P4 Pt4
SMILES	[Pt]12([Pt]3456([Ir]789%10%11%12([Pt]%13%14([Ir]%15249([Ir]24138([PtH]7([IrH2]%10%13%152C#[O])([Ir]6%124(C#[O])C#[O])[P](C(C)(C)C)(C(C)(C)C)C(C)(C)C)C#[O])([IrH]5%11%14(C#[O])C#[O])C#[O])[P](C(C)(C)C)(C(C)(C)C)C(C)(C)C)C#[O])[P](C(C)(C)C)(C(C)(C)C)C(C)(C)C)[P](C(C)(C)C)(C(C)(C)C)C(C)(C)C.O(CC)CC.O(CC)CC
Title of publication	Electrochemical synthesis, crystal structure, and photomagnetic properties of a three-dimensional cyano-bridged copper-molybdenum complex
Authors of publication	Toshiya Hozumi; Kazuhito Hashimoto; Ohkoshi Shin-ichi
Journal of publication	Journal of the American Chemical Society
Year of publication	2005
a	12.508 ± 0.0007 Å
b	14.9767 ± 0.0009 Å
c	23.6748 ± 0.0014 Å
α	105.119 ± 0.001°
β	99.902 ± 0.001°
γ	104.222 ± 0.001°
Cell volume	4016 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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