Crystallography Open Database

Information card for entry 7203022

7203021 << 7203022 >> 7203023

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Coordinates	7203022.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H29 Cu N4 O8.25 S1.25
Calculated formula	C24 H22.5 Cu N4 O8.26 S1.25
Title of publication	Coordination chemistry of N,N,4-tris(pyridin-2-ylmethyl)aniline: a novel flexible, multimodal ligand
Authors of publication	Almesåker, Ann; Bourne, Susan A.; Ramon, Gaëlle; Scott, Janet L.; Strauss, Christopher R.
Journal of publication	CrystEngComm
Year of publication	2007
Journal volume	9
Journal issue	11
Pages of publication	997
a	9.4677 ± 0.0002 Å
b	10.179 ± 0.0002 Å
c	16.2431 ± 0.0004 Å
α	79.789 ± 0.001°
β	75.907 ± 0.001°
γ	71.378 ± 0.001°
Cell volume	1430.31 ± 0.06 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0552
Residual factor for significantly intense reflections	0.0488
Weighted residual factors for significantly intense reflections	0.1478
Weighted residual factors for all reflections included in the refinement	0.1542
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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