Crystallography Open Database

Information card for entry 4115192

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Coordinates	4115192.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C101 H122 Cr2 N6
Calculated formula	C101 H122 Cr2 N6
Title of publication	Participation of the α,α'-Diiminopyridine Ligand System in Reduction of the Metal Center during Alkylation
Authors of publication	Hiroyasu Sugiyama; Ghazar Aharonian; Sandro Gambarotta; Glenn P. A. Yap; Peter H. M. Budzelaar
Journal of publication	Journal of the American Chemical Society
Year of publication	2002
Journal volume	124
Pages of publication	12268 - 12274
a	23.5634 ± 0.001 Å
b	18.8452 ± 0.0007 Å
c	21.9494 ± 0.0008 Å
α	90°
β	111.424 ± 0.001°
γ	90°
Cell volume	9073.3 ± 0.6 Å³
Cell temperature	203 ± 2 K
Ambient diffraction temperature	203 ± 2 K
Number of distinct elements	4
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	0.0809
Residual factor for significantly intense reflections	0.0677
Weighted residual factors for significantly intense reflections	0.1765
Weighted residual factors for all reflections included in the refinement	0.1909
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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