Crystallography Open Database

Information card for entry 4306045

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Coordinates	4306045.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H18 F9 N4 Nd O6 S3
Calculated formula	C32 H18 F9 N4 Nd O6 S3
Title of publication	Structural Diversity in Neodymium Bipyrimidine Compounds with Near Infrared Luminescence: from Mono- and Binuclear Complexes to Metal-Organic Frameworks
Authors of publication	Gaël Zucchi; Olivier Maury; Pierre Thuéry; Michel Ephritikhine
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	10398 - 10406
a	22.7458 ± 0.0014 Å
b	16.6276 ± 0.001 Å
c	22.4826 ± 0.0015 Å
α	90°
β	114.619 ± 0.006°
γ	90°
Cell volume	7730.2 ± 0.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0927
Residual factor for significantly intense reflections	0.0553
Weighted residual factors for significantly intense reflections	0.1333
Weighted residual factors for all reflections included in the refinement	0.1445
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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