Crystallography Open Database

Information card for entry 4504533

Preview

Coordinates	4504533.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H66 Cd2 Mo8 N10 O32
Calculated formula	C42 H66 Cd2 Mo8 N10 O32
Title of publication	Supermolecular Architecture of a Polypseudo-rotaxane: [Cd(BPE)(α-Mo8O26)][Cd(BPE)(DMF)4]·2DMF (BPE = 1,2-Bis(4-pyridyl)ethane, DMF =N,N-Dimethylformamide)
Authors of publication	Liao, Ju-Hsiou; Juang, Jung-Shian; Lai, Yu-Chun
Journal of publication	Crystal Growth & Design
Year of publication	2006
Journal volume	6
Journal issue	2
Pages of publication	354
a	11.8528 ± 0.0009 Å
b	13.3368 ± 0.001 Å
c	13.4568 ± 0.001 Å
α	76.142 ± 0.001°
β	64.772 ± 0.001°
γ	68.521 ± 0.001°
Cell volume	1781.9 ± 0.2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0623
Residual factor for significantly intense reflections	0.0443
Weighted residual factors for significantly intense reflections	0.0878
Weighted residual factors for all reflections included in the refinement	0.094
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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