Crystallography Open Database

Information card for entry 8104861

Preview

Coordinates	8104861.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H52 O14 Ti2
Calculated formula	C44 H52 O14 Ti2
Title of publication	Crystal structure of bis(μ2-2-oxido-2-phenylacetate-κ3 O:O,O′)-bis(1-isopropoxy-2-oxo-2-phenylethan-1-olato-κ2O,O′)-bis(propan-2-olato-κ1O)dititanium(IV), C44H52O14Ti2
Authors of publication	Youzhu, Yu; Yuhua, Guo; Yongsheng, Niu; Nana, Liu; Hongfei, Zhang
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2021
Journal volume	236
Journal issue	2
Pages of publication	467 - 469
a	15.0005 ± 0.0007 Å
b	15.9478 ± 0.0008 Å
c	18.4438 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	4412.2 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.048
Residual factor for significantly intense reflections	0.0372
Weighted residual factors for significantly intense reflections	0.0989
Weighted residual factors for all reflections included in the refinement	0.1089
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
273975 (current)	2022-03-25	cif/ Adding structures of 8104861 via cif-deposit CGI script.	8104861.cif