Crystallography Open Database

Information card for entry 7134211

Preview

Coordinates	7134211.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H53 B9 Cl2 Ti3
Calculated formula	C30 H53 B9 Cl2 Ti3
Title of publication	Hypoelectronic titanaboranes: icosahedral and tetracapped tetrahedral clusters comprising bridging hydrides.
Authors of publication	Bairagi, Subhash; Chatterjee, Debipada; Giri, Soumen; Ghosh, Sundargopal
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2025
Journal volume	61
Journal issue	18
Pages of publication	3696 - 3699
a	17.2436 ± 0.0017 Å
b	11.5096 ± 0.001 Å
c	18.5384 ± 0.0016 Å
α	90°
β	90°
γ	90°
Cell volume	3679.3 ± 0.6 Å³
Cell temperature	302 ± 2 K
Ambient diffraction temperature	302 ± 2 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0645
Residual factor for significantly intense reflections	0.0594
Weighted residual factors for significantly intense reflections	0.1386
Weighted residual factors for all reflections included in the refinement	0.1413
Goodness-of-fit parameter for all reflections included in the refinement	1.119
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
298064 (current)	2025-03-04	cif/ Updating files of 7134210, 7134211, 7134212 Original log message: Adding full bibliography for 7134210--7134212.cif.	7134211.cif
297574	2025-02-04	cif/ Adding structures of 7134210, 7134211, 7134212 via cif-deposit CGI script.	7134211.cif