Crystallography Open Database

Information card for entry 7703977

Preview

Coordinates	7703977.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H224 Cl3 N18 O90 S17 Ti8
Calculated formula	C72 H224 Cl3 N18 O90 S17 Ti8
Title of publication	Effects of organic ammonium cations on the isolation of {Ti<sub>4</sub>} cyclic clusters from water: an <sup>17</sup>O NMR study.
Authors of publication	Liu, Weiming; Liu, Caiyun; Wu, Wenli; Zhang, Guanyun; Zhang, Jian; Tung, Chen-Ho; Wang, Yifeng
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	18
Pages of publication	5957 - 5964
a	15.4295 ± 0.0004 Å
b	17.3585 ± 0.0005 Å
c	18.1126 ± 0.0004 Å
α	109.769 ± 0.002°
β	90.193 ± 0.002°
γ	109.105 ± 0.002°
Cell volume	4278.2 ± 0.2 Å³
Cell temperature	173 ± 0.1 K
Ambient diffraction temperature	173 ± 0.1 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1876
Residual factor for significantly intense reflections	0.1504
Weighted residual factors for significantly intense reflections	0.3949
Weighted residual factors for all reflections included in the refinement	0.4155
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
252812 (current)	2020-06-05	cif/ Updating files of 7703974, 7703975, 7703976, 7703977 Original log message: Adding full bibliography for 7703974--7703977.cif.	7703977.cif
250430	2020-04-07	cif/ Adding structures of 7703974, 7703975, 7703976, 7703977 via cif-deposit CGI script.	7703977.cif