Crystallography Open Database

Information card for entry 7720693

7720692 << 7720693 >> 7720694

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Coordinates	7720693.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H49.73 B12.86 Ti2
Calculated formula	C20 H40.8653 B12.8653 Ti2
Title of publication	A 14-vertex bud-shaped [(Cp*Ti)<sub>2</sub>B<sub>12</sub>H<sub>18</sub>] cluster.
Authors of publication	Bairagi, Subhash; Chatterjee, Debipada; Patel, Deepak Kumar; Acharya, Swetashree; Ghosh, Sundargopal
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2026
Journal volume	55
Journal issue	14
Pages of publication	5437 - 5442
a	12.4681 ± 0.001 Å
b	16.8148 ± 0.0013 Å
c	21.8299 ± 0.0018 Å
α	100.348 ± 0.003°
β	95.369 ± 0.003°
γ	104.634 ± 0.003°
Cell volume	4309.4 ± 0.6 Å³
Cell temperature	264 ± 2 K
Ambient diffraction temperature	264 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1319
Residual factor for significantly intense reflections	0.0885
Weighted residual factors for significantly intense reflections	0.2342
Weighted residual factors for all reflections included in the refinement	0.2794
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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