Crystallography Open Database

Information card for entry 4503447

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Coordinates	4503447.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H28 Cu4 Mo N8 O S4
Calculated formula	C33 H28 Cu4 Mo N8 O S4
Title of publication	Stepwise Guest Exchange in a Cluster-Supported Three-Dimensional Host
Authors of publication	Zhang, Wen-Hua; Lang, Jian-Ping; Zhang, Yong; Abrahams, Brendan F.
Journal of publication	Crystal Growth & Design
Year of publication	2008
Journal volume	8
Journal issue	2
Pages of publication	399
a	9.6362 ± 0.0019 Å
b	11.462 ± 0.002 Å
c	19.147 ± 0.004 Å
α	90°
β	97.98 ± 0.03°
γ	90°
Cell volume	2094.3 ± 0.7 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	7
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.1084
Residual factor for significantly intense reflections	0.0885
Weighted residual factors for significantly intense reflections	0.2155
Weighted residual factors for all reflections included in the refinement	0.2287
Goodness-of-fit parameter for all reflections included in the refinement	1.126
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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