Crystallography Open Database

Information card for entry 4317884

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Coordinates	4317884.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H13 Cu Mo2 N3 O11 P2
Calculated formula	C16 H13 Cu Mo2 N3 O11 P2
Title of publication	Organic-Inorganic Hybrid Materials: Hydrothermal Syntheses and Structural Characterization of Bimetallic Organophosphonate Oxides of the Type Mo/Cu/O/RPO32-/Organoimine
Authors of publication	Robert C. Finn; Randy S. Rarig; Jon Zubieta
Journal of publication	Inorganic Chemistry
Year of publication	2002
Journal volume	41
Pages of publication	2109 - 2123
a	8.5995 ± 0.0005 Å
b	20.8533 ± 0.0013 Å
c	12.5137 ± 0.0007 Å
α	90°
β	110.026 ± 0.001°
γ	90°
Cell volume	2108.4 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0928
Residual factor for significantly intense reflections	0.0436
Weighted residual factors for significantly intense reflections	0.0812
Weighted residual factors for all reflections included in the refinement	0.0927
Goodness-of-fit parameter for all reflections included in the refinement	0.946
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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