Crystallography Open Database

Information card for entry 7119820

7119819 << 7119820 >> 7119821

Preview

Coordinates	7119820.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H126 Br6 Cu4 O32 Ti12
Calculated formula	C54 H126 Br6 Cu4 O32 Ti12
Title of publication	Assembly of titanium-oxo cations with copper-halide anions to form supersalt-type cluster-based materials.
Authors of publication	Fang, Wei-Hui; Zhang, Lei; Zhang, Jian
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2017
Journal volume	53
Journal issue	28
Pages of publication	3949
a	21.553 ± 0.0004 Å
b	21.6943 ± 0.0003 Å
c	21.4667 ± 0.0003 Å
α	90°
β	90.935 ± 0.002°
γ	90°
Cell volume	10036 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1547
Residual factor for significantly intense reflections	0.1197
Weighted residual factors for significantly intense reflections	0.3191
Weighted residual factors for all reflections included in the refinement	0.3517
Goodness-of-fit parameter for all reflections included in the refinement	1.244
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7119820.html