Crystallography Open Database

Information card for entry 4075906

Preview

Coordinates	4075906.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C151.5 H158 Cl7 N8 O11.5 P6 W3
Calculated formula	C151.5 H155 Cl7 N8 O11.5 P6 W3
Title of publication	Synthesis of the N(CH2CH2NCH(o-C6H4)PPh2)3Ligand and Its Complexation with Tungsten Carbonyls To Form a 47-Membered Cryptand-Like Metallatricycle
Authors of publication	Yeh, Wen-Yann; Hsiao, Shu-Ching; Peng, Shie-Ming; Lee, Gene-Hsiang
Journal of publication	Organometallics
Year of publication	2005
Journal volume	24
Journal issue	14
Pages of publication	3365
a	33.3154 ± 0.0004 Å
b	36.4677 ± 0.0004 Å
c	28.8983 ± 0.0003 Å
α	90°
β	124.343 ± 0.0005°
γ	90°
Cell volume	28989 ± 0.6 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 1 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1202
Residual factor for significantly intense reflections	0.0731
Weighted residual factors for significantly intense reflections	0.1898
Weighted residual factors for all reflections included in the refinement	0.2347
Goodness-of-fit parameter for all reflections included in the refinement	1.015
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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