Crystallography Open Database

Information card for entry 4115486

Preview

Coordinates	4115486.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41.5 H83 I Mo6 N3 O18.5
Calculated formula	C41.5 H80.53 I Mo6 N3 O18.5
Title of publication	An Efficient and Convenient Reaction Protocol to Organoimido Derivatives of Polyoxometalates
Authors of publication	Yongge Wei; Bubin Xu; Charles L. Barnes; Zhonghua Peng
Journal of publication	Journal of the American Chemical Society
Year of publication	2001
Journal volume	123
Pages of publication	4083 - 4084
a	12.4358 ± 0.0005 Å
b	19.0658 ± 0.0008 Å
c	25.4922 ± 0.0011 Å
α	103.726 ± 0.001°
β	92.319 ± 0.001°
γ	99.787 ± 0.001°
Cell volume	5765.5 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0728
Residual factor for significantly intense reflections	0.0564
Weighted residual factors for significantly intense reflections	0.1457
Weighted residual factors for all reflections included in the refinement	0.1566
Goodness-of-fit parameter for all reflections included in the refinement	1.067
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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