Crystallography Open Database

Information card for entry 7118459

Preview

Coordinates	7118459.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C150 H101 Br3 Cu4 La6 N12 O39
Calculated formula	C150 H96 Br3 Cu4 La6 N12 O39
Title of publication	Halogen dependent symmetry change in two series of wheel cluster organic frameworks built from La18 tertiary building units.
Authors of publication	Fang, Wei-Hui; Zhang, Lei; Zhang, Jian; Yang, Guo-Yu
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2016
Journal volume	52
Journal issue	7
Pages of publication	1455 - 1457
a	13.0109 ± 0.0003 Å
b	13.0109 ± 0.0003 Å
c	51.3152 ± 0.0011 Å
α	90°
β	90°
γ	120°
Cell volume	7523 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	165
Hermann-Mauguin space group symbol	P -3 c 1
Hall space group symbol	-P 3 2"c
Residual factor for all reflections	0.1062
Residual factor for significantly intense reflections	0.0988
Weighted residual factors for significantly intense reflections	0.2553
Weighted residual factors for all reflections included in the refinement	0.2622
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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