Crystallography Open Database

Information card for entry 4003348

Preview

Coordinates	4003348.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C104 H172 Cu4 I4 N8 O48 P4 Ti12
Calculated formula	C104 H151 Cu4 I4 N8 O48 P4 Ti12
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	13.527 ± 0.003 Å
b	25.847 ± 0.006 Å
c	26.657 ± 0.006 Å
α	98.87 ± 0.01°
β	103.892 ± 0.008°
γ	103.725 ± 0.008°
Cell volume	8566 ± 3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.1035
Residual factor for significantly intense reflections	0.0789
Weighted residual factors for significantly intense reflections	0.2126
Weighted residual factors for all reflections included in the refinement	0.2277
Goodness-of-fit parameter for all reflections included in the refinement	1.08
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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