Crystallography Open Database

Information card for entry 4115485

Preview

Coordinates	4115485.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H83.5 Mo6 N3 O18.25
Calculated formula	C43 H80.14 Mo6 N3 O18.25
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	12.4636 ± 0.0007 Å
b	19.092 ± 0.001 Å
c	25.5423 ± 0.0014 Å
α	104.284 ± 0.001°
β	92.547 ± 0.001°
γ	100.368 ± 0.001°
Cell volume	5768.6 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0936
Residual factor for significantly intense reflections	0.054
Weighted residual factors for significantly intense reflections	0.1235
Weighted residual factors for all reflections included in the refinement	0.1437
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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