Crystallography Open Database

Information card for entry 7231641

Preview

Coordinates	7231641.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H46 Br4.5 Cu1.5 N8
Calculated formula	C41 H46 Br4.5 Cu1.5 N8
Title of publication	The conformational behavior of multivalent tris(imidazolium)cyclophanes in the hybrids with metal (pseudo)halides or polyoxometalates
Authors of publication	Wang, Fu-Rong; Li, Zi-Yan; Wei, Dong-Hui; Niu, Yun-Yin; Hou, Hong-Wei; Wu, Ben-Lai
Journal of publication	CrystEngComm
Year of publication	2018
Journal volume	20
Journal issue	44
Pages of publication	7184
a	15.9746 ± 0.0002 Å
b	35.124 ± 0.0005 Å
c	16.4115 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	9208.4 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	60
Hermann-Mauguin space group symbol	P n c a
Hall space group symbol	-P 2a 2n
Residual factor for all reflections	0.1331
Residual factor for significantly intense reflections	0.1272
Weighted residual factors for significantly intense reflections	0.3477
Weighted residual factors for all reflections included in the refinement	0.3506
Goodness-of-fit parameter for all reflections included in the refinement	1.107
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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