Crystallography Open Database

Information card for entry 4003337

Preview

Coordinates	4003337.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H88 Br2 Cu N2 O24 P2 Ti6
Calculated formula	C54 H88 Br2 Cu N2 O24 P2 Ti6
Title of publication	Titanium‒Oxo Cluster Based Precise Assembly for Multidimensional Materials
Authors of publication	Fang, Wei-Hui; Wang, Jian-Fang; Zhang, Lei; Zhang, Jian
Journal of publication	Chemistry of Materials
Year of publication	2017
Journal volume	29
Journal issue	7
Pages of publication	2681
a	12.8145 ± 0.0004 Å
b	14.7882 ± 0.0005 Å
c	21.93 ± 0.0008 Å
α	97.346 ± 0.003°
β	94.755 ± 0.003°
γ	109.668 ± 0.003°
Cell volume	3845.8 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0859
Residual factor for significantly intense reflections	0.0678
Weighted residual factors for significantly intense reflections	0.188
Weighted residual factors for all reflections included in the refinement	0.219
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
231525 (current)	2019-11-22	cif/ Adding structures of 4003333, 4003334, 4003335, 4003336, 4003337, 4003338, 4003339, 4003340, 4003341, 4003342, 4003343, 4003344, 4003345, 4003346, 4003347, 4003348, 4003349 via cif-deposit CGI script.	4003337.cif