Crystallography Open Database

Information card for entry 4316422

Preview

Coordinates	4316422.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H17 N9
Calculated formula	C19 H17 N9
SMILES	n1(nccc1)C(n1nccc1)c1nc(ccc1)C(n1nccc1)n1nccc1
Title of publication	Breaking the Cycle: Impact of Sterically-Tailored Tetra(pyrazolyl)lutidines on the Self-Assembly of Silver(I) Complexes
Authors of publication	Tyler J. Morin; Andrew Merkel; Sergey V. Lindeman; James R. Gardinier
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	7992 - 8002
a	7.3023 ± 0.0001 Å
b	16.4433 ± 0.0002 Å
c	45.2477 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	5433.07 ± 0.12 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.04
Residual factor for significantly intense reflections	0.0343
Weighted residual factors for significantly intense reflections	0.0809
Weighted residual factors for all reflections included in the refinement	0.0833
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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