Crystallography Open Database

Information card for entry 4317886

Preview

Coordinates	4317886.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H28 Cu2 Mo5 N6 O21 P2
Calculated formula	C33 H28 Cu2 Mo5 N6 O21 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	8.7047 ± 0.0006 Å
b	23.3712 ± 0.0018 Å
c	19.7186 ± 0.0015 Å
α	90°
β	101.409 ± 0.001°
γ	90°
Cell volume	3932.3 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1172
Residual factor for significantly intense reflections	0.0507
Weighted residual factors for significantly intense reflections	0.0891
Weighted residual factors for all reflections included in the refinement	0.1044
Goodness-of-fit parameter for all reflections included in the refinement	0.965
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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