Crystallography Open Database

Information card for entry 4318779

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Coordinates	4318779.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H20 Cl3 N4 O2 Re
Calculated formula	C15 H20 Cl3 N4 O2 Re
Title of publication	{ReIIICl3} Core Complexes with Bifunctional Single Amino Acid Chelates
Authors of publication	Sangeeta Ray Banerjee; Lihui Wei; Murali K. Levadala; Neva Lazarova; Vladimir O. Golub; Charles J. O'Connor; Karin A. Stephenson; John F. Valliant; John W. Babich; Jon Zubieta
Journal of publication	Inorganic Chemistry
Year of publication	2002
Journal volume	41
Pages of publication	5795 - 5802
a	22.8804 ± 0.0012 Å
b	7.4926 ± 0.0004 Å
c	22.5597 ± 0.0012 Å
α	90°
β	94.186 ± 0.001°
γ	90°
Cell volume	3857.2 ± 0.4 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	6
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	0.0715
Residual factor for significantly intense reflections	0.0522
Weighted residual factors for significantly intense reflections	0.1085
Weighted residual factors for all reflections included in the refinement	0.1178
Goodness-of-fit parameter for all reflections included in the refinement	1.073
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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