Crystallography Open Database

Information card for entry 4300812

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Structure parameters

Formula	C84 H76 O4 P4
Calculated formula	C84 H76 O4 P4
SMILES	P(c1ccccc1)(c1ccccc1)CCOc1c2cccc1Cc1cccc(c1OCCP(c1ccccc1)c1ccccc1)Cc1c(OCCP(c3ccccc3)c3ccccc3)c(ccc1)Cc1c(OCCP(c3ccccc3)c3ccccc3)c(ccc1)C2
Title of publication	Two Organometallic Fragments Inclusioned in a 1,3-Alternate Calix[4]arene Tetraphosphane: Evidence for Transition Metal-Arene Interaction through the Cavity
Authors of publication	Sanghoon Kim; Jong Seung Kim; Sung Kuk Kim; Il-Hwan Suh; Sang Ook Kang; Jaejung Ko
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	1846 - 1851
a	11.125 ± 0.002 Å
b	11.133 ± 0.002 Å
c	31.458 ± 0.006 Å
α	95.35 ± 0.004°
β	95.12 ± 0.004°
γ	115.772 ± 0.003°
Cell volume	3456.6 ± 1.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1082
Residual factor for significantly intense reflections	0.0515
Weighted residual factors for significantly intense reflections	0.1135
Weighted residual factors for all reflections included in the refinement	0.1333
Goodness-of-fit parameter for all reflections included in the refinement	0.95
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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