Crystallography Open Database

Information card for entry 7052394

Preview

Coordinates	7052394.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H22 N8
Calculated formula	C34 H22 N8
SMILES	c1cccc(c2cc(c(nn2)c2ncccc2)c2ccc(c3cc(c4ccccn4)nnc3c3ncccc3)cc2)n1
Title of publication	Synthesis of pyridazinyl ligands for multimetallic complexes
Authors of publication	Frédéric Thébault; Alexander J. Blake; Claire Wilson; Neil R. Champness; Martin Schröder
Journal of publication	New Journal of Chemistry
Year of publication	2006
Journal volume	30
Journal issue	10
Pages of publication	1498
a	6.0136 ± 0.0017 Å
b	29.216 ± 0.008 Å
c	7.656 ± 0.002 Å
α	90°
β	91.536 ± 0.006°
γ	90°
Cell volume	1344.6 ± 0.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1262
Residual factor for significantly intense reflections	0.0458
Weighted residual factors for significantly intense reflections	0.1061
Weighted residual factors for all reflections included in the refinement	0.1466
Goodness-of-fit parameter for all reflections included in the refinement	0.888
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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