Crystallography Open Database

Information card for entry 4317879

Preview

Coordinates	4317879.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H12 Cu Mo N2 O9 P2
Calculated formula	C11 H12 Cu Mo N2 O9 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	8.0801 ± 0.0004 Å
b	8.6606 ± 0.0005 Å
c	11.8803 ± 0.0006 Å
α	82.168 ± 0.001°
β	77.847 ± 0.001°
γ	75.855 ± 0.001°
Cell volume	784.93 ± 0.07 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0442
Residual factor for significantly intense reflections	0.0344
Weighted residual factors for significantly intense reflections	0.0832
Weighted residual factors for all reflections included in the refinement	0.087
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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