Crystallography Open Database

Information card for entry 4075217

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Coordinates	4075217.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14.5 H39 B9 N4 Ti
Calculated formula	C56 H140 B36 N16 Ti4
Title of publication	Synthesis, Structure, and Olefin Polymerization Behavior of Constrained-Geometry Group 4 Metallacarboranes Incorporating Imido-Dicarbollyl Ligands
Authors of publication	Gao, Mingli; Tang, Yong; Xie, Meihua; Qian, Changtao; Xie, Zuowei
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	10
Pages of publication	2578
a	29.625 ± 0.003 Å
b	10.6706 ± 0.0009 Å
c	18.4259 ± 0.0017 Å
α	90°
β	125.603 ± 0.002°
γ	90°
Cell volume	4735.9 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.0943
Residual factor for significantly intense reflections	0.0694
Weighted residual factors for significantly intense reflections	0.2005
Weighted residual factors for all reflections included in the refinement	0.2162
Goodness-of-fit parameter for all reflections included in the refinement	1.013
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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