Crystallography Open Database

Information card for entry 7132100

7132099 << 7132100 >> 7132101

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Coordinates	7132100.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H60 Cl4 O4 Ti4
Calculated formula	C40 H60 Cl4 O4 Ti4
Title of publication	16-vertex Oblato-Hypho-Titanaborane [(Cp*Ti)2B14H18]
Authors of publication	Kar, Sourav; Bairagi, Subhash; Halet, Jean-François; Ghosh, Sundargopal
Journal of publication	Chemical Communications
Year of publication	2023
a	16.8466 ± 0.0003 Å
b	16.8466 ± 0.0003 Å
c	8.9685 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	2545.33 ± 0.11 Å³
Cell temperature	297 ± 2 K
Ambient diffraction temperature	297 ± 2 K
Number of distinct elements	5
Space group number	121
Hermann-Mauguin space group symbol	I -4 2 m
Hall space group symbol	I -4 2
Residual factor for all reflections	0.0485
Residual factor for significantly intense reflections	0.0462
Weighted residual factors for significantly intense reflections	0.1269
Weighted residual factors for all reflections included in the refinement	0.1296
Goodness-of-fit parameter for all reflections included in the refinement	1.107
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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